# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T10:41:58+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chem. Sci.') AND volume = 6 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1517271","27.3936","0.0007","39.1227","0.001","41.964","0.003","90","","107.152","0.008","90","","42973","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C371 H328 B16 Co8 F64 N72 O26 -","- C371 H315 B8 Co8 F32 N72 O26 -","- C1484 H1260 B32 Co32 F128 N288 O104 -","4","0.5","","Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D.","pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules","Chem. Sci.","2015","6","1","625","","10.1039/C4SC02090A","","","0.71075","MoKα","","0.226","0.163","","","0.4367","0.4692","","","","","","1.437","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517459","12.731","0.002","15.301","0.003","13.247","0.002","90","","109.038","0.003","90","","2439.3","0.7","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","compound 4a","","","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C92 H88 Cl4 F12 N2 O14 P6 Ru2 S4 -","2","1","","Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens; Stein, Thorsten vom; Englert, Ulli; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter","Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium‒Triphos catalyst: from mechanistic investigations to multiphase catalysis","Chem. Sci.","2015","6","1","693","","10.1039/C4SC02087A","","","0.71073","MoKα","","0.0838","0.0571","","","0.1098","0.1212","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517514","13.8831","0.0007","9.8745","0.0005","9.719","0.0006","90","","94.232","0.005","90","","1328.73","0.13","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Tc(benzol)2]PF6","","","- C12 H12 F6 P Tc -","- C12 H12 F6 P Tc -","- C48 H48 F24 P4 Tc4 -","4","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0527","0.0317","","","0.0757","0.0904","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517515","7.7559","0.0008","11.003","0.0008","8.9353","0.0008","90","","98.474","0.009","90","","754.2","0.12","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tc(toluene)2]PF6","","","- C14 H16 F6 P Tc -","- C14 H16 F6 P Tc -","- C28 H32 F12 P2 Tc2 -","2","0.5","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0609","0.0408","","","0.0876","0.0981","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517516","9.2697","0.0005","13.0695","0.0016","15.815","0.006","90","","90","","90","","1916","0.8","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Tc(mesitylene)2]PF6","","","- C18 H24 F6 P Tc -","- C18 H24 F6 P Tc -","- C72 H96 F24 P4 Tc4 -","4","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0372","0.0336","","","0.0615","0.0642","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517517","8.7563","0.0006","12.1899","0.0011","9.5187","0.0015","90","","108.089","0.01","90","","965.8","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tc(teralin)2]PF6","","","- C20 H24 F6 P Tc -","- C20 H24 F6 P Tc -","- C40 H48 F12 P2 Tc2 -","2","0.5","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0455","0.0378","","","0.0986","0.1065","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517518","8.8724","0.0003","23.5963","0.0007","9.6318","0.0003","90","","96.888","0.003","90","","2001.92","0.11","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H49 Al Cl7 N7 O7 Tc -","- C21 H49 Al Cl7 N7 O7 Tc -","- C42 H98 Al2 Cl14 N14 O14 Tc2 -","2","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0341","0.0305","","","0.0651","0.0674","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517671","15.5436","0.0006","8.7069","0.0003","12.5382","0.0003","90","","92.769","0.001","90","","1694.9","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Alza, Esther; Laraia, Luca; Ibbeson, Brett M.; Collins, Súil; Galloway, Warren R. J. D.; Stokes, Jamie E.; Venkitaraman, Ashok R.; Spring, David R.","Synthesis of a novel polycyclic ring scaffold with antimitotic properties via a selective domino Heck‒Suzuki reaction","Chem. Sci.","2015","6","1","390","","10.1039/C4SC02547D","","","0.71073","MoKα","","0.0782","0.0423","","","0.0945","0.1012","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517680","13.528","0.003","20.05","0.004","18.26","0.004","90","","107.1","0.03","90","","4733.8","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Ag3 F9 N12 O9.5 S3 -","- C39 H36 Ag3 F9 N12 O9.5 S3 -","- C156 H144 Ag12 F36 N48 O38 S12 -","4","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.710747","MoKα","","0.0599","0.0529","","","0.1083","0.1131","","","","","","1.095","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517681","10.57","0.002","21.277","0.004","23.103","0.005","90","","90","","90","","5195.8","1.8","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Ag5 F9 N12 O10 S4 -","- C40 H36 Ag5 F9 N12 O10 S4 -","- C160 H144 Ag20 F36 N48 O40 S16 -","4","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1517","0.1363","","","0.3604","0.3768","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517682","23.725","0.005","19.387","0.004","18.732","0.004","90","","90.71","0.03","90","","8615","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 Ag5 F9 N24 O9 S4 -","- C75 H72 Ag5 F9 N24 O9 S4 -","- C300 H288 Ag20 F36 N96 O36 S16 -","4","0.5","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1356","0.1143","","","0.206","0.2169","","","","","","1.236","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517683","12.772","0.003","35.464","0.007","25.664","0.005","90","","90","","90","","11624","4","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C320 H288 Ag48 F84 N96 O128 S36 -","8","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1315","0.1258","","","0.3468","0.3558","","","","","","1.154","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517789","13.7149","0.0012","15.9855","0.0013","20.8687","0.0017","103.455","0.001","105.879","0.001","93.251","0.002","4244.3","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H54 O6 -","- C51 H54 O6 -","- C204 H216 O24 -","4","2","","Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju","Biphen[n]arenes","Chem. Sci.","2015","6","1","197","","10.1039/C4SC02422B","","","0.71073","MoKα","","0.1063","0.0557","","","0.1635","0.2363","","","","","","0.972","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517790","11.5532","0.0019","30.664","0.005","7.71","0.0013","90","","90.771","0.003","90","","2731.2","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 O8 -","- C68 H72 O8 -","- C136 H144 O16 -","2","0.5","","Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju","Biphen[n]arenes","Chem. Sci.","2015","6","1","197","","10.1039/C4SC02422B","","","0.71073","MoKα","","0.0795","0.055","","","0.1501","0.1635","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517834","11.641","0.0008","8.7512","0.0006","14.7356","0.001","90","","92.598","0.001","90","","1499.61","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C64 H60 N20 O8 -","4","1","","Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan","Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch","Chem. Sci.","2015","6","1","209","","10.1039/C4SC02882A","","x-ray","0.71073","MoKα","","0.0544","0.0453","","","0.1115","0.1191","","","","","","1.072","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1517835","22.782","0.002","7.5608","0.0008","26.996","0.003","90","","102.942","0.001","90","","4531.9","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20.5 Cl N6.5 O7 Zn -","- C19 H20.5 Cl N6.5 O7 Zn -","- C152 H164 Cl8 N52 O56 Zn8 -","8","1","","Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan","Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch","Chem. Sci.","2015","6","1","209","","10.1039/C4SC02882A","","x-ray","0.71073","MoKα","","0.1222","0.0678","","","0.1595","0.1888","","","","","","1.023","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517851","21.073","0.006","7.448","0.002","23.393","0.006","90","","90","","90","","3671.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.0782","0.0454","","","0.1009","0.1156","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517852","16.833","0.002","19.112","0.002","30.84","0.004","90","","101.398","0.001","90","","9726","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C111 H92 Co4 N16 O16 -","- C111 H92 Co4 N16 O16 -","- C444 H368 Co16 N64 O64 -","4","0.5","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.059","0.0551","","","0.1732","0.1774","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517853","18.4101","0.0007","17.6277","0.0007","30.4003","0.0012","90","","106.78","0.002","90","","9445.7","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C194 H158 B2 Co8 F8 N24 Na4 O34 -","- C179 H137 B2 Co8 F8 N21 Na4 O34 -","- C358 H274 B4 Co16 F16 N42 Na8 O68 -","2","0.5","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.71073","MoKα","","0.1048","0.0895","","","0.263","0.2755","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517854","14.4228","0.0002","14.8678","0.0005","15.4212","0.0009","112.831","0.003","96.488","0.004","108.933","0.002","2772.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H87 N O7 S U -","- C62 H87 N O7 S U -","- C124 H174 N2 O14 S2 U2 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0261","0.0189","","","0.045","0.0492","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517855","16.827","0.001","17.007","0.001","19.804","0.002","88.022","0.003","80.746","0.003","82.903","0.003","5550.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H83 N O5 Se U -","- C64 H83 N O5 Se U -","- C256 H332 N4 O20 Se4 U4 -","4","2","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0463","0.0354","","","0.0813","0.0867","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517856","11.2439","0.0015","12.9994","0.0017","18.636","0.003","102.273","0.004","101.519","0.004","100.806","0.004","2531.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H77 N O5 Te U -","- C58 H77 N O5 Te U -","- C116 H154 N2 O10 Te2 U2 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0215","0.0205","","","0.0514","0.0518","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517857","11.1756","0.0016","16.817","0.002","28.662","0.004","85.233","0.005","87.451","0.005","88.366","0.005","5361.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124.5 H154.5 N2 O6 S2 U2 -","- C124.5 H154.5 N2 O6 S2 U2 -","- C249 H309 N4 O12 S4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0321","0.0257","","","0.0608","0.0629","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517858","11.217","0.002","16.815","0.003","28.68","0.003","85.324","0.009","87.434","0.009","88.412","0.016","5384.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H156 N2 O6 Se2 U2 -","- C126 H156 N2 O6 Se2 U2 -","- C252 H312 N4 O12 Se4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0489","0.0335","","","0.0656","0.0701","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517859","16.773","0.0006","16.923","0.0016","25.039","0.003","105.196","0.006","102.968","0.007","101.507","0.007","6426.8","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H179.5 N2 O6.35 Te2 U2 -","- C150 H179.5 N2 O6.35 Te2 U2 -","- C300 H359 N4 O12.7 Te4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.055","0.036","","","0.075","0.0839","","","","","","1.165","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517871","11.733","0.0002","12.1852","0.0002","13.1641","0.0002","85.129","0.001","80.243","0.001","74.103","0.002","1782.43","0.05","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C29 H17 Cl2 F12 Fe Hg3 P5 -","- C29 H17 Cl2 F12 Fe Hg3 P5 -","- C58 H34 Cl4 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0223","0.017","","","0.0307","0.0311","","","","","","0.897","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517872","11.9982","0.0002","13.3448","0.0002","14.1016","0.0002","65.329","0.001","78.072","0.001","66.415","0.002","1878.24","0.06","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C29 H17 As5 Cl2 F12 Fe Hg3 -","- C29 H17 As5 Cl2 F12 Fe Hg3 -","- C58 H34 As10 Cl4 F24 Fe2 Hg6 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0272","0.02","","","0.0394","0.04","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517873","11.4347","0.0001","23.4865","0.0002","15.1315","0.0001","90","","90","","90","","4063.73","0.06","123","1","123","1","","","","","","","see text","4","P n m a","-P 2ac 2n","62","","","","- C9 H13 Fe P5 -","- C9 H13 Fe P5 -","- C108 H156 Fe12 P60 -","12","1.5","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.0225","0.0213","","","0.0541","0.0549","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517874","18.7588","0.0008","6.5778","0.0003","14.1509","0.0006","90","","90","","90","","1746.1","0.13","123","1","123","1","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.051","0.0427","","","0.091","0.0929","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517875","9.0507","0.0001","25.602","0.0003","10.1648","0.0002","90","","115.783","0.002","90","","2120.87","0.06","123","1","123","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Fe P5 -","- C17 H29 Fe P5 -","- C68 H116 Fe4 P20 -","4","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0283","0.023","","","0.0609","0.0618","","","","","","1.059","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1517876","12.0744","0.0002","12.2486","0.0002","14.5238","0.0003","69.244","0.002","82.395","0.002","65.44","0.002","1826.58","0.07","123","1","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H21 F12 Fe Hg3 P5 -","- C31 H21 F12 Fe Hg3 P5 -","- C62 H42 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.023","0.0178","","","0.0344","0.0349","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517877","12.3145","0.0003","26.4751","0.0006","14.4338","0.0003","90","","107.168","0.002","90","","4496.14","0.18","123","1","123","1","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C146 H128 Cl12 F48 Fe4 Hg12 P20 -","4","2","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0295","0.0237","","","0.0384","0.0387","","","","","","0.86","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517878","48.2155","0.0011","14.138","0.0002","22.3159","0.0005","90","","109.887","0.002","90","","14304.9","0.5","123","1","123","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H53 As15 F12 Fe3 Hg3 -","- C55 H53 As15 F12 Fe3 Hg3 -","- C440 H424 As120 F96 Fe24 Hg24 -","8","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0369","0.0267","","","0.053","0.0561","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517879","9.2776","0.0002","9.7199","0.0002","12.7689","0.0002","103.463","0.001","100.8","0.002","97.447","0.002","1081.75","0.04","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C19 H2 Cl2 F12 Hg3 -","- C19 H2 Cl2 F12 Hg3 -","- C38 H4 Cl4 F24 Hg6 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0382","0.0243","","","0.047","0.0485","","","","","","0.945","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1517880","11.6373","0.0004","11.8015","0.0003","15.7005","0.0005","89.754","0.002","68.252","0.003","66.286","0.003","1806.94","0.12","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C28 H15 Cl2 F12 Fe Hg3 P5 -","- C28 H15 Cl2 F12 Fe Hg3 P5 -","- C56 H30 Cl4 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0549","0.0353","","","0.0529","0.0548","","","","","","0.807","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517881","9.0486","0.0005","12.7853","0.0007","14.6892","0.0008","84.024","0.002","74.906","0.002","69.739","0.002","1539.05","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F18 Li2 O2 -","- C26 H24 F18 Li2 O2 -","- C52 H48 F36 Li4 O4 -","2","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0557","0.0495","","","","0.1391","","","","","","1.0614","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517882","9.1239","0.0003","24.4308","0.0008","12.5042","0.0006","90","","97.114","0.001","90","","2765.78","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 B F18 -","- C28 H17 B F18 -","- C112 H68 B4 F72 -","4","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0593","0.0543","","","","0.1489","","","","","","1.0564","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517883","8.8391","0.0003","34.0268","0.0011","9.5807","0.0003","90","","100.72","0.001","90","","2831.26","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 B N -","- C36 H36 B N -","- C144 H144 B4 N4 -","4","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0566","0.046","","","","0.1265","","","","","","1.0575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517884","23.5023","0.0011","23.5023","0.0011","25.182","0.0012","90","","90","","90","","13909.5","1.1","100","","100","","","","","","","","","5","I 41","I 4bw","80","","","","- C36 H18 B F18 N -","- C36 H18 B F18 N -","- C576 H288 B16 F288 N16 -","16","2","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0852","0.0628","","","","0.1952","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517885","15.56","0.0011","8.7136","0.0006","35.624","0.003","90","","90","","90","","4830","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C192 H72 B8 F144 -","8","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","","0.71073","MoKα","","0.072","0.0479","","","0.1162","0.1297","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517951","30.5162","0.0006","30.5162","0.0006","71.022","0.002","90","","90","","120","","57278","2","298","","298","","","","","","","","","6","R -3","-R 3","148","","","","- C252 H276 Co4 F36 N48 P6 -","- C252 H276 Co4 F36 N48 P6 -","- C1512 H1656 Co24 F216 N288 P36 -","6","","","Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J.","Non-equilibrium cobalt(iii) “click” capsules","Chem. Sci.","2015","6","1","756","","10.1039/C4SC03036B","","x-ray","0.6889","","","0.1352","0.1218","","","0.3268","0.3455","","","","","","1.553","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517963","26.585","0.0003","24.926","0.0003","15.939","0.0003","90","","90","","90","","10562.1","0.3","293","2","","","","","","","","","","3","I m m m","-I 2 2","71","","","","- F0.5 O32.5 Si16 -","- F0.5 O32.5 Si16 -","- F4 O260 Si128 -","8","0.5","","Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; Jorda, Jose Luis; Corma, Avelino","ITQ-54: a multi-dimensional extra-large pore zeolite with 20 ×14 ×12-ring channels","Chem. Sci.","2015","6","1","480","","10.1039/C4SC02577F","","","0.0197","Electron200kV","","0.3174","0.2892","","","0.5607","0.6068","","","","","","3.133","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517964","17.435","0.004","15.662","0.003","24.139","0.005","90","","90","","90","","6592","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiCl3(PPh3)ClPPh3","","","- C36 H30 Cl4 Ni P2 -","- C36 H30 Cl4 Ni P2 -","- C288 H240 Cl32 Ni8 P16 -","8","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0527","0.0327","","","0.0649","0.072","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517965","13.338","0.003","14.376","0.003","8.7454","0.0017","90","","102.53","0.03","90","","1637","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cl2P(PPh3)3","","","- C18 H15 Cl2 P -","- C18 H15 Cl2 P -","- C72 H60 Cl8 P4 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.033","0.0272","","","0.0677","0.071","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517966","11.255","0.002","9.1501","0.0018","18.658","0.004","90","","93.04","0.03","90","","1918.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ClPPh3OTf","","","- C19 H15 Cl F3 O3 P S -","- C19 H15 Cl F3 O3 P S -","- C76 H60 Cl4 F12 O12 P4 S4 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0425","0.0323","","","0.0697","0.0737","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517967","10.1261","0.0008","23.4579","0.0018","17.8192","0.0014","90","","106.355","0.0012","90","","4061.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NiCl4(PPh2(THF)2)2","","","- C40 H48 Cl4 Ni O4 P2 -","- C40 H48 Cl4 Ni O4 P2 -","- C160 H192 Cl16 Ni4 O16 P8 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0789","0.0593","","","0.1234","0.1315","","","","","","1.118","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517970","7.0801","0.0004","10.0993","0.0007","10.1771","0.0007","97.689","0.005","99.69","0.005","92.96","0.005","708.82","0.08","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Au Br2 N O -","- C12 H12 Au Br2 N O -","- C24 H24 Au2 Br4 N2 O2 -","2","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","","0.71073","MoKα","","0.0714","0.0658","","","0.1853","0.1941","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517971","15.9554","0.0003","11.7205","0.0002","16.839","0.0004","90","","90","","90","","3148.98","0.11","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Au Br N -","- C18 H15 Au Br N -","- C144 H120 Au8 Br8 N8 -","8","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.0704","0.0677","","","0.167","0.1723","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517972","7.8572","0.0003","8.2744","0.0004","15.3789","0.0005","93.413","0.003","103.381","0.003","113.776","0.004","876.93","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Au Cl2 N -","- C18 H16 Au Cl2 N -","- C36 H32 Au2 Cl4 N2 -","2","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.041","0.0393","","","0.0976","0.1002","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517979","6.8436","0.0004","26.8023","0.0014","8.3932","0.0005","90","","90.9","0.0013","90","","1539.33","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-((1-(naphthalen-2-yl)ethyl)carbamoyl)picolinic acid","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0268","0.0255","","","0.0664","0.0673","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517980","6.8507","0.0004","26.777","0.0017","8.4103","0.0005","90","","90.84","0.002","90","","1542.63","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0338","0.0321","","","0.0857","0.087","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517981","5.4249","0.0002","16.5948","0.0006","11.417","0.0004","90","","98.277","0.002","90","","1017.11","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.0307","0.0306","","","0.0806","0.0808","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517982","5.4288","0.0002","16.6067","0.0006","11.4114","0.0004","90","","98.2867","0.0018","90","","1018.05","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.031","0.0309","","","0.0762","0.0763","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517983","26.0015","0.0012","26.4029","0.0011","30.8305","0.0011","90","","90","","90","","21165.6","1.5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C57 H49.5 Eu N6 O11.5 -","- C57 H49.5 Eu N6 O11.5 -","- C912 H792 Eu16 N96 O184 -","16","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.1512","0.0834","","","0.2161","0.2618","","","","","","1.009","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517990","53.108","0.011","21.244","0.004","26.197","0.005","90","","98.53","0.03","90","","29229","10","95","0.2","95","0.2","","","","","","","","3","C 1 2 1","C 2y","5","C60_in_[4]CA","","","- C197.82 H137.82 Cl5.46 -","- C197.819 H137.819 Cl5.4585 -","- C1582.56 H1102.56 Cl43.668 -","8","2","","Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki","Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures","Chem. Sci.","2015","6","2","909","","10.1039/C4SC02812K","","","0.96","synchrotron","","0.1605","0.142","","","0.3558","0.3849","","","","","","1.5","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518019","25.2527","0.0004","13.9068","0.0002","24.7327","0.0005","90","","90","","90","","8685.7","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H66 Al Cl5 P2 Pb Pt -","- C36 H66 Al Cl5 P2 Pb Pt -","- C288 H528 Al8 Cl40 P16 Pb8 Pt8 -","8","2","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0444","0.038","","","0.08","0.0821","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518020","10.5092","0.0006","15.3892","0.001","20.0776","0.0012","109.785","0.002","90.439","0.002","90.796","0.002","3054.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","1","0.5","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0275","0.0209","","","0.0435","0.0454","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518021","13.381","0.004","13.612","0.004","13.987","0.003","92.698","0.01","111.864","0.013","101.984","0.01","2291","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H66 Al Cl4 I P2 Pb Pt -","- C36 H66 Al Cl4 I P2 Pb Pt -","- C72 H132 Al2 Cl8 I2 P4 Pb2 Pt2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0575","0.0507","","","0.1397","0.1442","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518022","20.719","0.002","10.6901","0.0009","23.859","0.002","90","","111.311","0.004","90","","4923.1","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Al2 Cl8 P2 Pb Pt -","- C36 H66 Al2 Cl8 P2 Pb Pt -","- C144 H264 Al8 Cl32 P8 Pb4 Pt4 -","4","0.5","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0265","0.0213","","","0.0417","0.0431","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518023","13.9687","0.0007","14.2448","0.0007","21.1628","0.0015","96.439","0.002","101.9","0.002","114.878","0.002","3643.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H132 Br2 P4 Pt2 Sn -","- C72 H132 Br2 P4 Pt2 Sn -","- C144 H264 Br4 P8 Pt4 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0612","0.0347","","","0.0659","0.0719","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518024","11.5394","0.0006","12.469","0.0007","17.7","0.001","105.191","0.002","100.053","0.002","107.994","0.002","2245.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H66 Al Br5 P2 Pt Sn -","- C36 H66 Al Br5 P2 Pt Sn -","- C72 H132 Al2 Br10 P4 Pt2 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0359","0.0313","","","0.0805","0.0824","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518025","13.5049","0.0008","15.4437","0.0009","15.6528","0.0008","82.203","0.002","78.913","0.002","85.651","0.002","3169.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H78 B Br Cl8 P2 Pt Sn -","- C60 H78 B Br Cl8 P2 Pt Sn -","- C120 H156 B2 Br2 Cl16 P4 Pt2 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0477","0.0369","","","0.0805","0.0876","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518026","13.2989","0.0018","22.907","0.003","16.964","0.004","90","","99.008","0.007","90","","5104.1","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Al2 Br8 P2 Pt Sn -","- C36 H66 Al2 Br8 P2 Pt Sn -","- C144 H264 Al8 Br32 P8 Pt4 Sn4 -","4","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0367","0.0285","","","0.0669","0.0693","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518027","15.687","0.003","20.715","0.004","21.567","0.003","75.297","0.009","82.231","0.008","78.538","0.011","6617","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H110 Br3 N O P2 Pt Sn -","- C56 H110 Br3 N O P2 Pt Sn -","- C224 H440 Br12 N4 O4 P8 Pt4 Sn4 -","4","2","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0307","0.0235","","","0.0545","0.0568","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518028","12.26","0.0008","12.5792","0.0008","15.8788","0.0011","75.171","0.001","71.664","0.001","67.768","0.001","2125.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H49.5 Cl F12 Fe Li2 N O6 -","- C36 H49.5 Cl F12 Fe Li2 N O6 -","- C72 H99 Cl2 F24 Fe2 Li4 N2 O12 -","2","1","","Pascualini, M. E.; Di Russo, N. V.; Thuijs, A. E.; Ozarowski, A.; Stoian, S. A.; Abboud, K. A.; Christou, G.; Veige, A. S.","A high-spin square-planar Fe(ii) complex stabilized by a trianionic pincer-type ligand and conclusive evidence for retention of geometry and spin state in solution","Chem. Sci.","2015","6","1","608","","10.1039/C4SC02634A","","","0.71073","MoKα","","0.0954","0.08","","","0.2091","0.2251","","","","","","1.043","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518079","8.5406","0.0018","8.5891","0.0018","14.093","0.003","84.9","0.005","84.781","0.005","88.091","0.005","1025.1","0.4","293","2","143","2","","","","","","","","4","P -1","-P 1","2","Bis(pentafluoropheny)diselenium undecafluorodiarsenate","Bis(pentafluoropheny)diselenium undecafluorodiarsenate","","- C12 As2 F21 Se2 -","- C12 As2 F21 Se2 -","- C24 As4 F42 Se4 -","2","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.0421","0.0264","","","0.06","0.066","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518080","15.695","0.003","15.264","0.002","16.274","0.002","90","","93.45","0.01","90","","3891.7","1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 S2 -","- C48 H50 S2 -","- C192 H200 S8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.101","0.0609","","","0.1446","0.1663","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518081","16.17","0.003","15.837","0.003","17.339","0.004","90","","92.97","0.03","90","","4434.3","1.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 F6 S2 Sb -","- C48 H50 F6 S2 Sb -","- C192 H200 F24 S8 Sb4 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","x-ray","0.71073","MoKα","K-L~3~","0.1171","0.0543","","","0.098","0.1195","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518082","19.147","0.006","15.238","0.005","16.653","0.009","90","","90.08","0.03","90","","4859","3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Cl2 F6 Sb Se2 -","- C49 H52 Cl2 F6 Sb Se2 -","- C196 H208 Cl8 F24 Sb4 Se8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.1373","0.0705","","","0.1553","0.1879","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518083","19.854","0.005","14.726","0.003","17.178","0.009","90","","92.07","0.04","90","","5019","3","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H55 F6 N Sb Te2 -","- C51 H55 F6 N Sb Te2 -","- C204 H220 F24 N4 Sb4 Te8 -","4","0.5","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.0814","0.0523","","","0.1188","0.1346","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518084","12.029","0.004","12.276","0.006","14.44","0.007","90","","97.662","0.014","90","","2113.3","1.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 F21 S2 Sb2 -","- C12 F21 S2 Sb2 -","- C48 F84 S8 Sb8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.082","0.0469","","","0.116","0.1395","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518097","11.6106","0.0003","17.2668","0.0006","18.6161","0.0004","113.198","0.002","95.475","0.002","105.211","0.001","3226","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H78 Cl2 Ir N2 O6.5 P2 S2 -","- C60 H78 Cl2 Ir N2 O6.5 P2 S2 -","- C120 H156 Cl4 Ir2 N4 O13 P4 S4 -","2","1","","Oldenhof, Sander; Lutz, Martin; de Bruin, Bas; Ivar van der Vlugt, Jarl; Reek, Joost N. H.","Dehydrogenation of formic acid by Ir‒bisMETAMORPhos complexes: experimental and computational insight into the role of a cooperative ligand","Chem. Sci.","2015","6","2","1027","","10.1039/C4SC02555E","","","0.71073","MoKα","","0.0293","0.0273","","","0.0777","0.0788","","","","","","1.073","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518098","12.1231","0.001","12.9429","0.0011","17.2915","0.0014","95.734","0.002","108.021","0.002","113.144","0.0019","2295","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O4 -","- C30 H25 N O4 -","- C120 H100 N4 O16 -","4","2","","Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus","Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics","Chem. Sci.","2015","6","1","436","","10.1039/C4SC02793K","","","0.71073","MoKα","","0.0698","0.0464","","","0.1113","0.1258","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518099","12.6166","0.0015","16.35","0.002","16.738","0.002","87.227","0.002","75.478","0.003","67.501","0.003","3083.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H20 Cl F10 N -","- C38.5 H20 Cl F10 N -","- C154 H80 Cl4 F40 N4 -","4","2","","Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus","Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics","Chem. Sci.","2015","6","1","436","","10.1039/C4SC02793K","","","0.71073","MoKα","","0.0809","0.0485","","","0.0984","0.1135","","","","","","1.013","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1518139","24.415","0.003","24.415","0.003","15.337","0.004","90","","90","","90","","9142","3","296","2","296","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- C40 H60 Cu3 K N8 O54 Ru Si W11 -","- C40 H32 Cu3 K N8 O53.99 Ru0.96 Si W11.04 -","- C160 H128 Cu12 K4 N32 O215.96 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.1156","0.0509","","","0.1256","0.1708","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518140","17.8663","0.0012","22.1923","0.0015","22.2835","0.0015","90","","90","","90","","8835.3","1","296","2","296","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C40 H58 Cu2 K N8 O52 Ru Si W11 -","- C40 H32 Cu2 K N8 O52 Ru0.96 Si W11.04 -","- C160 H128 Cu8 K4 N32 O208 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.0971","0.0753","","","0.1918","0.2042","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518141","11.6434","0.0003","10.03245","0.00018","20.857","0.0004","90","","103.161","0.002","90","","2372.35","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-4-methyl-4-phenyl-4,5-dihydrooxazole","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Brachet, E.; Ghosh, T.; Ghosh, I.; König, B.","Visible light C‒H amidation of heteroarenes with benzoyl azides","Chem. Sci.","2015","6","2","987","","10.1039/C4SC02365J","","x-ray","1.54184","CuKα","","0.0412","0.0366","","","0.0975","0.1027","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518142","8.3156","0.0003","9.9732","0.0004","14.574","0.0005","90","","102.762","0.002","90","","1178.81","0.08","93.1","","93.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0467","","","","0.1212","","","","","","0.999","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518143","8.3745","0.0004","10.0838","0.0005","14.5833","0.0007","90","","103.496","0.003","90","","1197.51","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N2 O4 -","- C13 H9 N2 O4 -","- C52 H36 N8 O16 -","4","2","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0834","","","","0.21","","","","","","0.706","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518144","7.24677","0.00014","14.8112","0.0003","11.0943","0.0002","90","","99.3083","0.0012","90","","1175.11","0.04","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C52 H36 F4 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0414","","","","0.1031","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518145","7.1667","0.0004","5.2718","0.0003","15.7374","0.0009","90","","101.26","0.003","90","","583.14","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0354","","","","0.1047","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518146","7.1322","0.0004","5.2282","0.0003","15.7662","0.0009","90","","101.237","0.003","90","","576.63","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0501","","","","0.1089","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518147","6.56098","0.00012","13.5445","0.0003","13.6122","0.0003","90","","90","","90","","1209.65","0.04","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C52 H36 F4 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0271","","","","0.0692","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518148","16.026","0.003","8.7017","0.0015","17.485","0.003","90","","115.469","0.006","90","","2201.4","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H40 B4 N4 O6 -","- C12 H40 B4 N4 O6 -","- C48 H160 B16 N16 O24 -","4","1","","Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom","Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane","Chem. Sci.","2015","6","1","618","","10.1039/C4SC02710H","","","0.71073","MoKα","","0.0752","0.0568","","","0.1214","0.1302","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518149","6.9419","0.0007","8.8077","0.0008","12.4471","0.0012","91.79","0.003","103.761","0.003","111.731","0.003","680.64","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H26 B4 N4 O2 -","- C4 H26 B4 N4 O2 -","- C8 H52 B8 N8 O4 -","2","1","","Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom","Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane","Chem. Sci.","2015","6","1","618","","10.1039/C4SC02710H","","","0.71073","MoKα","","0.0862","0.0637","","","0.1605","0.1753","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518154","14.5572","0.0008","13.9044","0.0008","24.0822","0.0014","90","","90","","90","","4874.5","0.5","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C22 H22.5 B Cl Cr F4 N4.5 O3 -","- C22 H17 B Cl Cr F4 N4.5 O3 -","- C176 H136 B8 Cl8 Cr8 F32 N36 O24 -","8","1","","Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions","Chem. Sci.","2015","6","2","945","","10.1039/C4SC02285H","","","0.71073","MoKα","","0.0629","0.0502","","","0.1267","0.1357","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518155","9.683","0.004","22.83","0.008","11.317","0.004","90","","104.712","0.004","90","","2419.7","1.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 B2 Cr F8 N5 O2 -","- C21 H20 B2 Cr F8 N5 O2 -","- C84 H80 B8 Cr4 F32 N20 O8 -","4","1","","Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions","Chem. Sci.","2015","6","2","945","","10.1039/C4SC02285H","","","0.71073","MoKα","","0.0732","0.0527","","","0.115","0.1233","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518167","12.1595","0.0008","12.7622","0.0008","22.2587","0.0014","100.93","0.0008","104.448","0.0008","95.5814","0.0008","3246.1","0.4","138","2","138","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 O6 Si6 Th -","- C51 H99 K N2 O6 Si6 Th -","- C102 H198 K2 N4 O12 Si12 Th2 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0361","0.0287","","","0.0594","0.0621","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518168","17.1884","0.0016","18.0161","0.0016","22.654","0.002","90","","99.6558","0.0011","90","","6915.8","1.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H103 K O8 Si6 Th -","- C53 H103 K O8 Si6 Th -","- C212 H412 K4 O32 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0511","0.0384","","","0.0921","0.0976","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518169","17.547","0.001","13.6955","0.0008","19.1293","0.0011","90","","112.595","0.0007","90","","4244.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H63 Si6 Th -","- C33 H63 Si6 Th -","- C132 H252 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0275","0.0208","","","0.0455","0.0478","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518170","20.2007","0.0016","8.1694","0.0006","19.9544","0.0015","90","","91.3531","0.0009","90","","3292.1","0.4","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 Si4 Th -","- C30 H50 Si4 Th -","- C120 H200 Si16 Th4 -","4","0.5","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.027","0.0261","","","0.0584","0.0586","","","","","","1.399","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518200","7.8497","0.0005","10.7861","0.0008","14.7876","0.001","109.56","0.003","91.8983","0.0018","111.312","0.003","1081.87","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","1","","Rijeesh, K.; Hashim, P. K.; Noro, Shin-ichiro; Tamaoki, Nobuyuki","Dynamic induction of enantiomeric excess from a prochiral azobenzene dimer under circularly polarized light","Chem. Sci.","2015","6","2","973","","10.1039/C4SC01993H","","","0.71075","MoKα","","","0.0503","","","","0.1454","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518209","9.1445","0.0019","7.8648","0.0016","15.71","0.003","90","","106.294","0.005","90","","1084.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Au Cl2 F N -","- C11 H7 Au Cl2 F N -","- C44 H28 Au4 Cl8 F4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0413","0.032","","","0.0882","0.0934","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518210","14.8527","0.0013","16.3867","0.0014","17.62","0.0015","90.156","0.001","91.414","0.001","114.256","0.001","3908.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Au F2 N -","- C24 H18 Au F2 N -","- C192 H144 Au8 F16 N8 -","8","4","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0406","0.0313","","","0.0748","0.079","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518211","9.334","0.0011","11.4331","0.0013","12.8416","0.0017","73.407","0.004","81.938","0.004","73.869","0.003","1258.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Au Cl2 F6 N -","- C27 H20 Au Cl2 F6 N -","- C54 H40 Au2 Cl4 F12 N2 -","2","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0752","0.0674","","","0.1648","0.1752","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518212","11.1263","0.0003","14.1527","0.0004","26.2319","0.0007","90","","90","","90","","4130.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Au N3 O4 -","- C24 H18 Au N3 O4 -","- C192 H144 Au8 N24 O32 -","8","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0382","0.0303","","","0.0573","0.0598","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518213","35.5669","0.0009","35.5669","0.0009","7.2973","0.0002","90","","90","","90","","9231.1","0.4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H20 Au N S2 -","- C27.9952 H19.997 Au N S1.9994 -","- C447.923 H319.952 Au16 N16 S31.9904 -","16","","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0349","0.0326","","","0.0639","0.0646","","","","","","1.399","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518214","7.5722","0.0007","16.2301","0.0014","16.7076","0.0018","90","","93.349","0.004","90","","2049.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Au N -","- C26 H24 Au N -","- C104 H96 Au4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0863","0.0693","","","0.1635","0.175","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518215","19.4071","0.0009","15.6565","0.0007","19.6251","0.0009","90","","112.078","0.001","90","","5525.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au N O2 -","- C30 H32 Au N O2 -","- C240 H256 Au8 N8 O16 -","8","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0488","0.0382","","","0.0784","0.0841","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518216","9.4066","0.001","13.227","0.0014","13.1786","0.0014","90","","110.251","0.002","90","","1538.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Au Cl F N -","- C18 H14 Au Cl F N -","- C72 H56 Au4 Cl4 F4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0376","0.0304","","","0.0719","0.075","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518217","10.34","0.002","18.881","0.004","9.579","0.002","90","","110.408","0.003","90","","1752.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Au Cl N -","- C22 H17 Au Cl N -","- C88 H68 Au4 Cl4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0423","0.0311","","","0.0753","0.0812","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518218","22.3204","0.0012","11.4097","0.0005","7.0554","0.0003","90","","90","","90","","1796.79","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20.62 H17.23 Au Cl1.23 N O -","- C20.617 H17.234 Au Cl1.234 N O -","- C82.468 H68.936 Au4 Cl4.936 N4 O4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0336","0.0281","","","0.0623","0.0655","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518232","13.07527","0.00008","16.18867","0.0001","19.01027","0.00012","90","","100.1","0.0006","90","","3961.57","0.04","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F6 O4 -","- C48 H30 F6 O4 -","- C192 H120 F24 O16 -","4","0.5","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","1.5418","CuKα","","0.0506","0.0492","","0.0656","0.0647","0.0645","","","","","","0.9834","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518233","12.5119","0.0017","12.6648","0.0017","14.9565","0.0019","70.805","0.005","66.621","0.005","67.665","0.005","1967.5","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H28 Cl2 F6 O2 -","- C47 H28 Cl2 F6 O2 -","- C94 H56 Cl4 F12 O4 -","2","1","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","0.71073","MoKα","","0.1842","0.0672","","","0.1536","0.1983","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518234","12.8182","0.0016","35.815","0.005","9.7626","0.0014","90","","92.841","0.006","90","","4476.3","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H25 Cl3 F12 O2 -","- C49 H25 Cl3 F12 O2 -","- C196 H100 Cl12 F48 O8 -","4","1","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","0.71073","MoKα","","0.2077","0.0829","","","0.1877","0.2414","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518242","13.919","0.006","19.144","0.009","28.616","0.011","90","","90","","90","","7625","6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81 H86 Cl6 N6 O8 Rh2 -","- C81 H86 Cl6 N6 O8 Rh2 -","- C324 H344 Cl24 N24 O32 Rh8 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0514","0.0358","","","0.0643","0.0682","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518243","13.1445","0.0005","13.6427","0.0006","22.5166","0.0008","90","","90","","90","","4037.8","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C156 H160 Cl8 F24 N16 O8 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0349","0.0287","","","0.056","0.0579","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518244","5.4571","0.0002","15.3289","0.0006","17.4084","0.0009","90","","90","","90","","1456.24","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0343","0.0291","","","0.0646","0.0666","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518245","10.1905","0.0005","11.5731","0.0006","17.4203","0.0008","90","","97.5045","0.0016","90","","2036.88","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","w234b","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0498","0.0381","","","0.1004","0.1143","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518246","17.7761","0.0006","22.9437","0.0008","13.1111","0.0004","90","","90","","90","","5347.4","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C204 H208 Cl16 F24 N16 O12 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0422","0.0348","","","0.0849","0.0889","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518247","38.9286","0.0014","13.3583","0.0005","17.0015","0.0007","90","","111.479","0.0012","90","","8227.1","0.5","105","2","105","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H45 Cl2 Ir N4 O3 -","- C47 H45 Cl1.999 Ir N4 O3 -","- C376 H360 Cl15.992 Ir8 N32 O24 -","8","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0462","0.0296","","","0.0587","0.0636","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518248","14.224","0.003","21.737","0.003","31.247","0.002","90","","90.83","0.01","90","","9660","3","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 2","","","- C98 H110 B Cl2 F20 N6 Nb2 -","- C98 H110 B Cl2 F20 N6 Nb2 -","- C392 H440 B4 Cl8 F80 N24 Nb8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0658","0.0514","","","0.1321","0.1422","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518249","18.1669","0.0005","17.1279","0.0005","19.7092","0.0005","90","","90.559","0.001","90","","6132.4","0.3","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 3","","","- C65 H66 B F20 N3 Nb O2 -","- C65 H66 B F20 N3 Nb O2 -","- C260 H264 B4 F80 N12 Nb4 O8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0458","0.0363","","","0.0946","0.1014","","","","","","1.03","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1518250","20.744","0.002","20.888","0.002","22.683","0.003","90","","90.709","0.002","90","","9827.8","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 4","","","- C95 H110 B Cl9 F20 N6 Nb2 -","- C95 H110 B Cl8 F20 N6 Nb2 -","- C380 H440 B4 Cl32 F80 N24 Nb8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0288","0.0257","","","0.062","0.0646","","","","","","1.058","","","","has coordinates,has disorder","209529","2020-10-21","18:00:00",""
"1518251","15.2666","0.0006","16.9177","0.0006","25.577","0.001","90","","97.658","0.002","90","","6547","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","Complex 6","","","- C61 H60 B Cl0 F20 N4 Nb -","- C61 H60 B F20 N4 Nb -","- C244 H240 B4 F80 N16 Nb4 -","4","2","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0569","0.0428","","","0.093","0.1007","","","","","","0.984","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1518252","24.287","0.003","8.1945","0.0005","20.396","0.0018","90","","120.269","0.013","90","","3505.8","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 B2 Cl6 Fe N8 O6 -","- C24 H28 B2 Cl6 Fe N8 O6 -","- C96 H112 B8 Cl24 Fe4 N32 O24 -","4","0.5","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","1.54178","CuKα","","0.0735","0.061","","","0.1593","0.1741","","","","","","0.796","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518253","10.435","0.007","12.522","0.006","14.568","0.008","110.05","0.02","98.25","0.03","92.93","0.04","1759.4","1.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H44 B2 Fe N8 O9 -","- C31 H44 B2 Fe N8 O9 -","- C62 H88 B4 Fe2 N16 O18 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.71073","MoKα","","0.1129","0.0741","","","0.1923","0.2164","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518254","77.1812","0.0001","77.1812","0.0001","77.1812","0.0001","90","","90","","90","","459764","1","100","2","100","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","","","- C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 -","- C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 -","- C8640 H10464 B944 F704 Fe384 N3072 O2352 Pd192 -","32","0.333333","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.715","synchrotron","","0.0829","0.081","","","0.2584","0.2646","","","","","","1.3","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518255","24.07","0.005","25.09","0.005","26.26","0.005","111.25","0.03","101.84","0.03","110.6","0.03","12790","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C193 H230 B12 Fe6 N59 O53 Pd3 -","- C193 H230 B12 Fe6 N59 O53 Pd3 -","- C386 H460 B24 Fe12 N118 O106 Pd6 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.715","synchrotron","","0.0593","0.0557","","","0.16","0.169","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518256","37.76","0.02","37.914","0.015","49.64","0.03","109.87","0.03","111.57","0.04","90.72","0.04","61382","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 -","- C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 -","- C1814 H1907 B135 F36 Fe48 N403 O334 Pd24 -","4","2","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.71073","MoKα","","0.2907","0.167","","","0.3795","0.4645","","","","","","1.394","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1518257","26.3697","0.0006","37.7311","0.0009","41.401","0.0016","113.826","0.003","96.68","0.002","90.021","0.002","37375","2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C350 H400 B24 Fe12 N105 O99 Pd6 -","- C350 H400 B24 Fe12 N105 O99 Pd6 -","- C700 H800 B48 Fe24 N210 O198 Pd12 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","1.54178","CuKα","","0.15","0.1105","","","0.3243","0.3519","","","","","","1.299","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518278","11.5572","0.0006","15.5085","0.0008","20.8957","0.001","90","","94.733","0.005","90","","3732.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide","","- C20 H20 N2 O3 S -","- C20 H20 N2 O3 S -","- C160 H160 N16 O24 S8 -","8","1","","Zhou, Ai-Hua; He, Qiao; Shu, Chao; Yu, Yong-Fei; Liu, Shuang; Zhao, Tian; Zhang, Wei; Lu, Xin; Ye, Long-Wu","Atom-economic generation of gold carbenes: gold-catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles","Chem. Sci.","2015","6","2","1265","","10.1039/C4SC02596B","","","0.71073","MoKα","","0.0562","0.045","","","0.1283","0.1399","","","","","","0.704","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518279","7.58","0.0001","13.2149","0.0001","18.5282","0.0001","90","","90","","90","","1855.95","0.03","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido","Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides","Chem. Sci.","2015","6","2","1252","","10.1039/C4SC02612H","","","1.54178","CuKα","","0.0402","0.0354","","","0.0789","0.0822","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518308","13.811","0.003","18.252","0.004","20.803","0.004","84.81","0.03","82.76","0.03","72.33","0.03","4949","2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H64 F24 N14 P4 Ru2 -","- C90 H64 F24 N14 P4 Ru2 -","- C180 H128 F48 N28 P8 Ru4 -","2","1","","Cui, Bin-Bin; Mao, Zupan; Chen, Yuxia; Zhong, Yu-Wu; Yu, Gui; Zhan, Chuanlang; Yao, Jiannian","Tuning of resistive memory switching in electropolymerized metallopolymeric films","Chem. Sci.","2015","6","2","1308","","10.1039/C4SC03345K","","","0.71073","MoKα","","0.1588","0.1354","","","0.3591","0.3829","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518338","27.5079","0.0016","16.0629","0.0009","14.4082","0.001","90","","108.033","0.004","90","","6053.6","0.7","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H54 F18 N15 P3 Ru3 S9 -","- C36 H54 F18 N15 P3 Ru3 S9 -","- C144 H216 F72 N60 P12 Ru12 S36 -","4","1","","Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.","Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry","Chem. Sci.","2015","6","2","1334","","10.1039/C4SC02799J","","","0.71073","MoKα","","0.0719","0.0565","","","0.147","0.1629","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518339","7.3807","0.0012","11.755","0.002","15.94","0.003","102.912","0.005","92.025","0.005","100.595","0.005","1320.8","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au N O2 -","- C15 H12 Au N O2 -","- C60 H48 Au4 N4 O8 -","4","2","","Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime","Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds","Chem. Sci.","2015","6","2","1491","","10.1039/C4SC02676D","","","0.71075","MoKα","","","0.0867","","","","0.2496","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518340","6.0552","0.0005","7.0297","0.0006","15.9689","0.0014","96.315","0.003","93.979","0.003","90.279","0.003","673.93","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au N O2 -","- C15 H12 Au N O2 -","- C30 H24 Au2 N2 O4 -","2","1","","Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime","Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds","Chem. Sci.","2015","6","2","1491","","10.1039/C4SC02676D","","","0.71075","MoKα","","","0.0542","","","","0.133","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518342","9.7143","0.0001","22.5934","0.0001","12.6641","0.0001","90","","106.703","0.001","90","","2662.23","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-dibenzyl-6-(3-(2-bromophenyl)-3-oxo-1-phenylpropyl)piperazine-2,3,5-trione","","- C33 H27 Br N2 O4 -","- C33 H27 Br N2 O4 -","- C132 H108 Br4 N8 O16 -","4","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0187","0.0185","","","0.0475","0.0477","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518343","12.1648","0.0001","12.4912","0.0001","17.107","0.0002","90","","90","","90","","2599.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dibenzyl-6-(3-oxo-1,3-diphenylpropyl)piperazine-2,3,5-trione","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0249","0.0243","","","0.0623","0.0629","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518344","6.25441","0.00012","12.592","0.0002","13.61853","0.00018","100.755","0.0012","92.7028","0.0013","95.0674","0.0014","1047.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","1,4-dibenzyl-6-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)piperazine-2,3,5-trione","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C48 H52 N4 O10 -","2","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0314","0.0302","","","0.0778","0.0785","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518345","12.14306","0.00017","6.28576","0.00007","13.0165","0.0002","90","","108.566","0.0017","90","","941.82","0.02","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0304","0.0281","","","0.069","0.0706","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518346","12.2545","0.0003","11.5949","0.0003","9.7196","0.0002","90","","90","","90","","1381.06","0.06","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 Cr2 O8 P2 -","- C8 H4 Cr2 O8 P2 -","- C32 H16 Cr8 O32 P8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","x-ray","1.54178","CuKα","","0.025","0.0233","","","0.0645","0.0654","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518347","12.4977","0.0012","12.0462","0.0014","10.1185","0.0009","90","","90","","90","","1523.3","0.3","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 O8 P2 W2 -","- C8 H4 O8 P2 W2 -","- C32 H16 O32 P8 W8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","0.71073","MoKα","","0.0275","0.0229","","","0.0541","0.0558","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518348","6.9134","0.0009","7.3239","0.001","8.761","0.001","111.796","0.012","92.15","0.01","115.204","0.014","362.43","0.11","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","x-ray","1.54184","CuKα","","0.0436","0.0386","","","0.1004","0.1036","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518352","11.70071","0.00013","11.70071","0.00013","11.70071","0.00013","90","","90","","90","","1601.9","0.03","120.05","0.1","120.05","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0311","0.029","","","0.0697","0.0723","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518353","11.74713","0.00009","11.74713","0.00009","11.74713","0.00009","90","","90","","90","","1621.05","0.02","302.5","0.7","302.5","0.7","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0299","0.0298","","","0.0748","0.0748","","","","","","1.323","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518354","11.78842","0.00018","11.78842","0.00018","11.78842","0.00018","90","","90","","90","","1638.2","0.04","400","0.14","400","0.14","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0746","0.0739","","","0.1765","0.1774","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518355","13.6052","0.0006","19.6523","0.0009","14.3113","0.0007","90","","105.559","0.0005","90","","3686.2","0.3","88","2","88","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H44 K N2 O13 Rh -","- C32 H44 K N2 O13 Rh -","- C128 H176 K4 N8 O52 Rh4 -","4","1","","Murphy, Stephen K.; Bruch, Achim; Dong, Vy M.","Mechanistic insights into hydroacylation with non-chelating aldehydes","Chemical Science","2015","6","1","174","180","10.1039/c4sc02026j","","","0.71073","MoKα","","0.0267","0.0258","","","0.065","0.0658","","","","","","1.067","","","","has coordinates,has disorder","274636","2022-04-22","15:52:32",""
"1518358","9.5147","0.001","8.7236","0.0009","12.2763","0.0013","90","","96.21","0.002","90","","1012.98","0.18","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 Pd -","- C18 H32 N4 Pd -","- C36 H64 N8 Pd2 -","2","0.5","","Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo","Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands","Chem. Sci.","2015","6","2","1426","","10.1039/C4SC02998D","","","0.71073","MoKα","","0.0254","0.0211","","","0.0569","0.0598","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518359","9.5437","0.0006","12.6519","0.0008","14.7569","0.001","81.229","0.002","83.044","0.002","81.137","0.002","1731.26","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 Cl4 N6 Pd -","- C28 H50 Cl4 N6 Pd -","- C56 H100 Cl8 N12 Pd2 -","2","1","","Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo","Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands","Chem. Sci.","2015","6","2","1426","","10.1039/C4SC02998D","","","0.71073","MoKα","","0.0444","0.034","","","0.0732","0.0777","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518360","11.649","0.003","18.299","0.005","18.362","0.005","60.833","0.005","80.132","0.006","86.221","0.006","3366.6","1.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","ksk1621","","- C145 H149 Cl6 Cs3 N8 O14 -","- C145 H143 Cl6 Cs3 N8 O14 -","- C145 H143 Cl6 Cs3 N8 O14 -","1","0.5","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1782","0.1032","","","0.2453","0.2723","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518361","12.5824","0.001","16.3849","0.0012","18.0859","0.0011","89.08","0.003","89.123","0.003","70.854","0.002","3521.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","ksk1761","","- C74 H78 Cl6 Cs F N4 O8 -","- C74 H77 Cl6 Cs F N4 O8 -","- C148 H154 Cl12 Cs2 F2 N8 O16 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.0849","0.062","","","0.1307","0.1394","","","","","","1.258","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518362","16.284","0.003","21.681","0.004","24.254","0.005","65.823","0.004","87.933","0.005","77.172","0.005","7602","3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","ksk1622","","- C82 H92 N4 O12 -","- C80 H88 N4 O11 -","- C320 H352 N16 O44 -","4","2","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1204","0.0919","","","0.2481","0.2613","","","","","","1.189","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518363","18.865","0.003","17.828","0.003","20.315","0.004","90","","107.064","0.003","90","","6532","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ksk1635","","- C75 H71 Cl3 N4 O12 -","- C74.34 H74 Cl3 N4 O7.67 -","- C297.36 H296 Cl12 N16 O30.68 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.0909","0.0702","","","0.1924","0.2184","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518364","18.1082","0.0015","20.262","0.002","21.408","0.003","90","","105.284","0.003","90","","7577","1.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ksk1615","","- C81 H94 Cl6 F N5 O6 -","- C79.5 H91 Cl3 F N5 O6 -","- C318 H364 Cl12 F4 N20 O24 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1056","0.0738","","","0.1694","0.1789","","","","","","1.39","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518365","19.8344","0.0003","17.7442","0.0003","20.5845","0.0004","90","","109.128","0.002","90","","6844.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ksk1917","","- C78 H81 N7 O6 -","- C78 H80.32 N7 O6 -","- C312 H321.28 N28 O24 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","1.54184","CuKα","","0.102","0.0773","","","0.2082","0.2297","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518366","28.4416","0.0013","17.3237","0.0008","28.5922","0.0014","90","","90.135","0.003","90","","14087.7","1.1","153","2","153","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","ksk1818","","- C74 H77 Cl4 Cs N4 O7 -","- C72.5 H73.5 Cl Cs N4 O7 -","- C580 H588 Cl8 Cs8 N32 O56 -","8","2","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.3235","0.1786","","","0.3976","0.4448","","","","","","1.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518367","17.1643","0.0012","20.272","0.0015","20.1109","0.0015","90","","99.129","0.002","90","","6909","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","ksk1823","","- C74 H77 Cl3 Cs F N4 O7 -","- C73 H75.12 Cs F N4 O7 -","- C292 H300.48 Cs4 F4 N16 O28 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.1028","0.074","","","0.1865","0.2053","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518368","17.7069","0.0004","19.2391","0.0003","27.8205","0.0006","71.903","0.002","75.381","0.002","69.249","0.002","8315.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","ksk1928","","- C163 H193 Cl6 F2 N10 O15 -","- C161 H173.53 Cl2 F2 N10 O14.53 -","- C322 H347.06 Cl4 F4 N20 O29.06 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","1.54184","CuKα","","0.1159","0.0914","","","0.2854","0.3199","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518371","33.067","0.004","14.8252","0.0015","17.1809","0.0012","90","","121.19","0.01","90","","7205.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H4BINDI","H4BINDI","","- C279.28 H164 N37 O100 -","- C279.28 H164 N37 O100 -","- C279.28 H164 N37 O100 -","1","0.125","","Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul","Solid state organic amine detection in a photochromic porous metal organic framework","Chem. Sci.","2015","6","2","1420","","10.1039/C4SC03224A","","","0.7107","MoKα","","0.1476","0.1154","","","0.3613","0.3847","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518372","34.3413","0.0018","10.0447","0.0007","17.7382","0.0017","90","","96.234","0.006","90","","6082.6","0.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Mg-NDI","Mg-NDI","","- C69 H35 Mg4 N7 O30 -","- C69 H35 Mg4 N7 O30 -","- C138 H70 Mg8 N14 O60 -","2","0.5","","Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul","Solid state organic amine detection in a photochromic porous metal organic framework","Chem. Sci.","2015","6","2","1420","","10.1039/C4SC03224A","","","0.71073","MoKα","","0.1637","0.1057","","","0.2679","0.2975","","","","","","0.856","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518407","9.827","0.0006","16.9659","0.0008","21.6298","0.0013","69.273","0.005","81.505","0.005","87.976","0.005","3335.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H86 N6 O3 -","- C73 H82 N6 O2 -","- C146 H164 N12 O4 -","2","1","","Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R.","Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly","Chem. Sci.","2015","6","2","1562","","10.1039/C4SC03531C","","x-ray","0.6889","Synchrotron","","0.1002","0.0756","","","0.1865","0.2097","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518408","15.4721","0.0005","16.3717","0.0005","19.0278","0.0006","92.068","0.002","110.731","0.003","99.28","0.003","4426","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H92 Cl18 N6 O3 -","- C83 H89 Cl9 N6 O3 -","- C166 H178 Cl18 N12 O6 -","2","1","","Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R.","Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly","Chem. Sci.","2015","6","2","1562","","10.1039/C4SC03531C","","","1.54184","CuKα","","0.1406","0.122","","","0.3579","0.3846","","","","","","1.579","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518409","5.9763","0.0005","11.5786","0.0008","29.273","0.003","90","","90","","90","","2025.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","TPP","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.0528","0.0392","","","0.0894","0.0976","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518410","10.6571","0.0009","11.1264","0.0009","13.1685","0.0009","88","0.006","76.566","0.007","74.575","0.007","1463.4","0.2","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","TPP-2P","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1821","0.0694","","","0.1548","0.2161","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518411","11.1806","0.0008","11.4458","0.0007","12.861","0.0009","101.527","0.006","91.283","0.006","99.274","0.006","1589.02","0.19","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","TPP-2PM","","- C42 H32 N2 O2 -","- C42 H32 N2 O2 -","- C84 H64 N4 O4 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1027","0.0565","","","0.1377","0.1674","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518412","9.768","0.0011","12.3063","0.0014","12.4687","0.0014","68.542","0.011","70.492","0.01","88.089","0.009","1308.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TPP-4M","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C64 H56 N4 O8 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1215","0.0894","","","0.2711","0.2907","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518432","10.336","0.002","14.852","0.003","4.924","0.001","90","","90","","90","","755.9","0.3","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0718","0.0642","","","0.1304","0.1331","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518433","10.26","0.002","14.837","0.003","4.8169","0.001","90","","90","","90","","733.3","0.3","295","2","295","2","","","880000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0571","0.0477","","","0.0928","0.0957","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518434","10.22","0.002","14.832","0.003","4.7689","0.001","90","","90","","90","","722.9","0.3","295","2","295","2","","","1120000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0728","0.0626","","","0.145","0.1538","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518435","10.218","0.002","14.823","0.003","4.7439","0.0009","90","","90","","90","","718.5","0.2","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0694","0.0616","","","0.1305","0.1346","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518436","10.181","0.002","14.808","0.003","4.693","0.0009","90","","90","","90","","707.5","0.2","295","2","295","2","","","1800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0689","0.0612","","","0.1396","0.1428","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518437","10.11","0.002","14.808","0.003","4.5801","0.0009","90","","90","","90","","685.7","0.2","295","2","295","2","","","2600000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0595","0.0393","","","0.0688","0.072","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518438","10.06","0.002","14.798","0.003","4.537","0.0009","90","","90","","90","","675.4","0.2","295","2","295","2","","","3210000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0758","0.0541","","","0.099","0.1026","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518439","10.05","0.002","14.807","0.003","4.4206","0.0009","90","","90","","90","","657.8","0.2","295","2","295","2","","","4000000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0761","0.0543","","","0.1016","0.1075","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518440","10.04","0.002","14.796","0.003","4.3879","0.0009","90","","90","","90","","651.8","0.2","295","2","295","2","","","4200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0548","0.0389","","","0.0656","0.0677","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518441","10.056","0.002","14.779","0.003","4.275","0.0009","90","","90","","90","","635.3","0.2","295","2","295","2","","","5150000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0843","0.0576","","","0.1034","0.1107","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518442","10.059","0.002","14.776","0.003","4.261","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5230000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0826","0.0614","","","0.1223","0.1314","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518443","10.063","0.002","14.787","0.003","4.256","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5330000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0866","0.0561","","","0.0949","0.104","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518444","9.714","0.011","14.99","0.02","4.262","0.019","90","","90","","90","","621","3","295","2","295","2","","","5540000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0887","0.0674","","","0.1408","0.1489","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518445","9.73","0.0019","14.987","0.003","4.234","0.0008","90","","90","","90","","617.4","0.2","295","2","295","2","","","5800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0709","0.0538","","","0.0989","0.1032","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518446","9.694","0.0019","14.931","0.003","4.2234","0.0008","90","","90","","90","","611.3","0.2","295","2","295","2","","","6200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0615","0.0523","","","0.1001","0.1023","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518447","9.9998","0.0006","20.6538","0.0012","31.3512","0.0018","90","","90","","90","","6475.1","0.7","15","2","15","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C67 F6 -","- C67 F6 -","- C536 F48 -","8","1","","San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.","A faux hawk fullerene with PCBM-like properties","Chem. Sci.","2015","6","3","1801","","10.1039/C4SC02970D","","","0.41328","synchrotron","","0.0865","0.0732","","","0.1576","0.1633","","","","","","1.215","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518448","14.166","0.007","13.519","0.007","25.901","0.013","90","","90","","90","","4960","4","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","bis(m6-h1:h5:h6:h6:h6:h6-Corannulene)- -(tetrahydrofuran-O,O)-bis(tetrahydrofuran-O,O,O)- -tetra-lithium-tetra-rubidium","","- C60 H60 Li4 O5 Rb4 -","- C60 H60 Li4 O5 Rb4 -","- C240 H240 Li16 O20 Rb16 -","4","0.25","","Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts","Chem. Sci.","2015","6","3","1959","","10.1039/C4SC03485F","","","0.71073","Mo-Kα","","0.1516","0.0846","","","0.1934","0.2331","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518449","10.064","0.003","15.27","0.004","22.129","0.006","90.416","0.003","93.102","0.003","94.532","0.004","3384.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(m6-h5:h6:h6:h6:h6:h6-Corannulene)- -bis(diglyme)-bis(diglyme)- -tetra-lithium-tetra-rubidium- tetrahydrofuran solvate","","- C66 H80 Li3 O12.5 Rb5 -","- C66 H80 Li3 O12.5 Rb5 -","- C132 H160 Li6 O25 Rb10 -","2","1","","Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts","Chem. Sci.","2015","6","3","1959","","10.1039/C4SC03485F","","","0.71073","Mo-Kα","","0.1703","0.0977","","","0.215","0.2399","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518450","23.1686","0.0013","9.677","0.0006","16.8001","0.001","90","","118.272","0.0016","90","","3317.3","0.3","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 N4 O19 Tm -","- C28 H46 N4 O19 Tm -","- C112 H184 N16 O76 Tm4 -","4","1","","Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David","Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes","Chem. Sci.","2015","6","3","1655","","10.1039/C4SC03429E","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1094","0.1175","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518469","8.5794","0.0004","13.7444","0.001","13.7913","0.001","110.805","0.002","93.371","0.004","101.13","0.004","1477.17","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H10 Au B Cl10 N6 Pb -","- C21 H10 Au B Cl10 N6 Pb -","- C42 H20 Au2 B2 Cl20 N12 Pb2 -","2","1","","Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena","The gold(i)⋯lead(ii) interaction: a relativistic connection","Chem. Sci.","2015","6","3","2022","","10.1039/C4SC03680H","","","0.71073","MoKα","","0.0714","0.0371","","","0.0628","0.0707","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518476","9.539","0.002","10.408","0.002","11.253","0.003","115.767","0.003","97.422","0.003","91.945","0.003","992.6","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 F6 O6 Pd Sb -","- C14 H23 F6 O6 Pd Sb -","- C28 H46 F12 O12 Pd2 Sb2 -","2","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0934","0.053","","","0.0716","0.0799","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518477","18.89","0.005","16.805","0.004","13.196","0.003","90","","90","","90","","4189","1.8","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H22 F6 N O6 Pd Sb -","- C15 H22 F6 N O6 Pd Sb -","- C120 H176 F48 N8 O48 Pd8 Sb8 -","8","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0368","0.0293","","","0.0711","0.0768","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518478","16.758","0.003","16.947","0.004","9.5046","0.0019","90","","90","","90","","2699.3","1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H35 F6 O6 Pd Sb -","- C22 H35 F6 O6 Pd Sb -","- C88 H140 F24 O24 Pd4 Sb4 -","4","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0404","0.033","","","0.062","0.067","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518479","10.0271","0.0007","19.0026","0.0014","14.5138","0.001","90","","92.747","0.001","90","","2762.3","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 F6 N3 O10 Pd Sb -","- C17 H28 F6 N3 O10 Pd Sb -","- C68 H112 F24 N12 O40 Pd4 Sb4 -","4","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.03","0.0269","","","0.0677","0.0696","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518480","16.4284","0.0014","19.3745","0.0017","21.4447","0.0019","66.181","0.002","88.434","0.002","72.775","0.002","5930.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H86 Cl20 F24 O16 Pd4 Sb4 -","- C64 H84 Cl16 F24 O16 Pd4 Sb4 -","- C128 H168 Cl32 F48 O32 Pd8 Sb8 -","2","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0963","0.056","","","0.1355","0.1494","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518496","8.4386","0.0001","13.7676","0.0001","16.0276","0.0001","90","","100.27","0.001","90","","1832.24","0.03","123","2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 As4 Co2 -","- C34 H58 As4 Co2 -","- C68 H116 As8 Co4 -","2","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0348","0.0331","","","0.0915","0.0926","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518497","17.893","0.001","19.9249","0.0011","11.6299","0.0005","90","","107.903","0.005","90","","3945.5","0.4","123","2","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H60 As4 Cl2 Co2 -","- C35 H60 As4 Cl2 Co2 -","- C140 H240 As16 Cl8 Co8 -","4","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","0.71073","MoKα","","0.049","0.0387","","","0.0948","0.0998","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518498","10.3921","0.0005","14.3707","0.0007","14.8262","0.0008","62.53","0.005","76.535","0.004","79.819","0.004","1904.35","0.19","123","2","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H116 As10 Co4 -","- C68 As10 Co4 -","- C68 As10 Co4 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0877","0.0796","","","0.2268","0.2345","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518499","13.7956","0.0008","14.0892","0.0008","15.0382","0.001","62.971","0.006","69.895","0.006","61.292","0.006","2254","0.3","123","2","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H124 As10 Cl8 Co4 -","- C72 H124 As10 Cl8 Co4 -","- C72 H124 As10 Cl8 Co4 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54184","CuKα","","0.1088","0.0787","","","0.1658","0.177","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518500","28.9202","0.0003","15.7899","0.0001","29.9375","0.0003","90","","112.752","0.001","90","","12607.1","0.2","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H87 As12 Co3 -","- C51 H87 As12 Co3 -","- C408 H696 As96 Co24 -","8","1","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0363","0.0271","","","0.0555","0.0589","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518501","23.3","0.002","7.0807","0.0007","11.6415","0.0013","90","","90","","90","","1920.6","0.3","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","[Se(IAd)]","","- C23 H32 N2 Se -","- C23 H32 N2 Se -","- C92 H128 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0257","0.0238","","","0.0562","0.0568","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518502","11.8147","0.0015","11.1443","0.0013","12.2088","0.0014","90","","108.21","0.003","90","","1527","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Se(ICy)]","","- C15 H24 N2 Se -","- C15 H24 N2 Se -","- C60 H96 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0393","0.033","","","0.0962","0.0998","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518503","14.4058","0.0013","7.4133","0.0007","25.023","0.003","90","","97.856","0.003","90","","2647.2","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Se(IDD)]","","- C27 H48 N2 Se -","- C27 H48 N2 Se -","- C108 H192 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0841","0.0704","","","0.2078","0.2216","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518504","8.3318","0.0011","7.4265","0.0009","13.6459","0.0019","90","","98.798","0.003","90","","834.42","0.19","173","","173","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","[Se(IMe)]","","- C19 H20 N2 Se -","- C19 H20 N2 Se -","- C38 H40 N4 Se2 -","2","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0308","0.0277","","","0.0718","0.0736","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518505","16.043","0.002","7.3937","0.0009","16.055","0.002","90","","90","","90","","1904.4","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(IMes)]","","- C21 H24 N2 Se -","- C21 H24 N2 Se -","- C84 H96 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0791","0.0686","","","0.1823","0.1917","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518506","20.433","0.002","7.6327","0.0006","21.563","0.002","90","","106.66","0.003","90","","3221.8","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Se(IPent)]","","- C35 H52 N2 Se -","- C35 H52 N2 Se -","- C140 H208 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0608","0.0448","","","0.106","0.1139","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518507","17.366","0.003","9.4565","0.0013","21.295","0.003","90","","109.08","0.003","90","","3305","0.9","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Se(IPrCl)]","","- C27 H34 Cl2 N2 Se -","- C27 H34 Cl2 N2 Se -","- C108 H136 Cl8 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0662","0.0612","","","0.224","0.2293","","","","","","1.208","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518508","15.9194","0.0019","7.4418","0.0007","16.1915","0.0019","90","","90","","90","","1918.2","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(SIMes)]","","- C21 H26 N2 Se -","- C21 H26 N2 Se -","- C84 H104 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0295","0.0239","","","0.0688","0.0715","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518509","9.3746","0.0016","15.527","0.003","8.3524","0.0014","90","","90.357","0.005","90","","1215.7","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Se(Tr2)]","","- C11 H6 F5 N3 Se -","- C11 H6 F5 N3 Se -","- C44 H24 F20 N12 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0679","0.048","","","0.1104","0.1182","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518510","7.8283","0.0013","7.9731","0.0014","18.447","0.003","97.93","0.006","94.637","0.005","90.042","0.005","1136.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","[Se(Tr3)]","","- C11 H11 N3 O Se -","- C11 H11 N3 O Se -","- C44 H44 N12 O4 Se4 -","4","2","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.1583","0.1235","","","0.3333","0.3513","","","","","","1.165","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518511","8.5326","0.0019","10.637","0.003","11.589","0.003","107.558","0.004","101.546","0.004","107.498","0.003","906.2","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","[Se(Tr4)]","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C42 H42 N6 O2 Se2 -","2","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0265","0.0241","","","0.0542","0.0546","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518512","13.2692","0.0012","19.8926","0.0016","20.979","0.0019","90","","90","","90","","5537.6","0.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Se(Tr5)]","","- C30 H35 N3 O Se Si -","- C30 H35 N3 O Se Si -","- C240 H280 N24 O8 Se8 Si8 -","8","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0325","0.0248","","","0.0584","0.0616","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518526","4.00444","0.00019","11.1381","0.0006","12.202","0.0007","71.955","0.005","89.514","0.004","80.992","0.004","510.62","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","methyl (E)-2-cyano-3-(p-tolyl)acrylate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","0.71073","MoKα","","0.0507","0.0412","","","0.1083","0.1126","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518527","14.93217","0.00016","14.22602","0.00015","15.93712","0.00017","90","","100.89","0.001","90","","3324.49","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O4 -","- C38 H48 N2 O4 -","- C152 H192 N8 O16 -","4","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0382","0.0335","","","0.0893","0.0935","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518528","8.5558","0.0005","11.887","0.0004","17.0071","0.0008","99.115","0.003","92.129","0.004","94.397","0.004","1700.67","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N2 O4 Si4 -","- C30 H40 N2 O4 Si4 -","- C60 H80 N4 O8 Si8 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0889","0.0629","","","0.1706","0.1941","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518529","8.6514","0.0002","11.8373","0.0004","20.4256","0.0006","82.751","0.003","87.339","0.002","86.175","0.002","2068.9","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 N2 O4 Si6 -","- C34 H52 N2 O4 Si6 -","- C68 H104 N4 O8 Si12 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0838","0.0643","","","0.1681","0.1887","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518530","18.9073","0.0016","20.7452","0.0006","21.091","0.002","67.38","0.02","77.21","0.02","65.257","0.013","6917.2","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C152.05 H75.74 Cl2.21 F40 N12 S8 -","- C152.047 H75.7412 Cl2.208 F40 N12 S8 -","- C304.094 H151.482 Cl4.416 F80 N24 S16 -","2","1","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.0686","0.0639","","","0.1763","0.1805","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518531","49.998","0.016","12.402","0.003","35.242","0.011","90","","131.613","0.005","90","","16338","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87.05 H40.13 Cl3.96 F20 N6 S6 -","- C87.041 H40.096 Cl3.968 F20 N6 S6 -","- C696.328 H320.768 Cl31.744 F160 N48 S48 -","8","1","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.0881","0.085","","","0.2267","0.2299","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518532","17.2734","0.0008","18.9028","0.0005","30.1289","0.0017","105","0.014","92.92","0.02","107.23","0.03","8989","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C95.3 H48 Cl2.3 F20 N6 O0.5 S8 -","- C95.3065 H48 Cl2.2995 F20 N6 O0.5 S8 -","- C381.226 H192 Cl9.198 F80 N24 O2 S32 -","4","2","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.1245","0.1104","","","0.3444","0.375","","","","","","1.073","","","","has coordinates,has disorder","278158","2022-09-26","15:28:11",""
"1518536","32.403","0.008","6.8959","0.0017","15.25","0.004","90","","97.03","0.004","90","","3382","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 F6 N O3 -","- C18 H11 F6 N O3 -","- C144 H88 F48 N8 O24 -","8","1","","Lu, Yi; Wang, Huai-Wei; Spangler, Jillian E.; Chen, Kai; Cui, Pei-Pei; Zhao, Yue; Sun, Wei-Yin; Yu, Jin-Quan","Rh(iii)-catalyzed C‒H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant","Chem. Sci.","2015","6","3","1923","","10.1039/C4SC03350G","","","0.71073","MoKα","","0.0717","0.0568","","","0.152","0.1668","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518540","7.8956","0.0004","9.6557","0.0003","14.916","0.0006","77.311","0.003","81.835","0.004","86.214","0.003","1097.43","0.08","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N2 O8 S2 -","- C18 H33 N2 O8 S2 -","- C36 H66 N4 O16 S4 -","2","1","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0528","0.0433","","0.0511","0.0461","0.0461","","","","","","1.0815","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518541","19.4827","0.0005","7.7013","0.0002","30.1416","0.0007","90","","101.758","0.002","90","","4427.61","0.19","175","","175","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C36 H66 N4 O16 S4 -","- C36 H66 N4 O16 S4 -","- C144 H264 N16 O64 S16 -","4","0.5","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0885","0.0746","","0.083","0.0767","0.0767","","","","","","1.0486","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518542","9.7673","0.0003","9.8143","0.0003","10.2046","0.0004","94.88","0.003","96.822","0.003","95.184","0.003","962.76","0.06","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C28.7552 H49.5104 N8 O14 S4 -","- C28.7554 H49.5104 N8 O14 S4 -","- C28.7554 H49.5104 N8 O14 S4 -","1","0.5","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0675","0.0586","","0.0698","0.0649","0.0649","","","","","","0.9213","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518545","11.8282","0.0014","12.449","0.0015","13.6005","0.0016","90","","90","","90","","2002.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 Cl Mo P3 -","- C14 H34 Cl Mo P3 -","- C56 H136 Cl4 Mo4 P12 -","4","1","","Neary, Michelle C.; Parkin, Gerard","Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds","Chem. Sci.","2015","6","3","1859","","10.1039/C4SC03128H","","","0.71073","MoKα","","0.0926","0.055","","","0.0949","0.1069","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518548","14.6741","0.0009","15.8676","0.001","24.1918","0.0015","91.946","0.002","106.327","0.002","115.228","0.002","4812.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 -","- C44.7095 H22.262 Cl4 F14 N6 Na2 O7.218 -","- C178.838 H89.048 Cl16 F56 N24 Na8 O28.872 -","4","2","","Seifert, Sabine; Schmidt, David; Würthner, Frank","An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis","Chem. Sci.","2015","6","3","1663","","10.1039/C4SC03671A","","","1.54178","CuKα","","0.058","0.0485","","","0.1285","0.137","","","","","","1.016","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1518587","18.6991","0.0013","16.4217","0.001","21.8753","0.0015","90","","90","","90","","6717.3","0.8","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C224 H368 Cl8 Co8 I8 N16 P16 Ti8 -","4","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0369","0.0246","","0.0573","0.0524","0.0573","","","","","","0.9674","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518588","9.0138","0.0007","18.8395","0.0013","21.5085","0.0016","90","","90.54","0.004","90","","3652.3","0.5","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H55 Cl Co N2 P3 Ti -","- C31 H55 Cl Co N2 P3 Ti -","- C124 H220 Cl4 Co4 N8 P12 Ti4 -","4","1","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0835","0.0584","","0.182","0.1454","0.182","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518589","12.5912","0.0005","13.4571","0.0005","13.5956","0.0005","110.682","0.0017","94.623","0.002","117.15","0.0016","1835.07","0.13","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","1","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.042","0.0327","","0.089","0.0833","0.089","","","","","","0.9919","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518590","3.5452","0.0004","14.0087","0.0015","14.249","0.0015","109.292","0.003","91.673","0.003","91.322","0.002","667.23","0.13","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","Au_B","","","- C24 H16 Au2 F8 N4 O2 -","- C24 H16 Au2 F8 N4 O2 -","- C24 H16 Au2 F8 N4 O2 -","1","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","","x-ray","0.71073","MoKα","","0.059","0.0473","","","0.1055","0.1165","","","","","","1.152","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518591","3.5707","0.0003","10.3087","0.001","14.2742","0.0011","107.689","0.004","92.505","0.005","100.205","0.005","489.99","0.07","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","Au_G","","","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","1","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","","x-ray","1.54186","CuKα","","0.1134","0.1008","","","0.2546","0.2713","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518592","7.79058","0.00018","18.7202","0.0005","6.74157","0.00017","90","","103.167","0.0033","90","","957.35","0.04","293","","293","","","","101.3","","","","","5","P 1 21/c 1","-P 2ybc","14","Au_Y","","","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","- C36 H8 Au4 F16 N8 -","2","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","powder diffraction","x-ray","1.54059","CuKα~1~","","","","","","","","0.02738","","3.96","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518593","10.264","0.005","16.311","0.005","19.425","0.005","103.753","0.005","105.008","0.005","93.129","0.005","3027.6","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H51 Ir P2 -","- C30 H51 Ir P2 -","- C120 H204 Ir4 P8 -","4","2","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71069","MoKα","","0.0518","0.035","","","0.0824","0.0915","","","","","","1.222","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518594","17.003","0.0005","20.0591","0.0005","9.4403","0.0003","90","","102.986","0.003","90","","3137.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Ir O P2 -","- C31 H54 Ir O P2 -","- C124 H216 Ir4 O4 P8 -","4","1","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71073","","","0.1124","0.0572","","","0.0981","0.1144","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518595","11.4108","0.001","13.6574","0.0012","17.7933","0.0015","90","","104.097","0.008","90","","2689.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Cl Ir P2 -","- C24 H46 Cl Ir P2 -","- C96 H184 Cl4 Ir4 P8 -","4","1","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71073","MoKα","","0.0336","0.026","","","0.0694","0.0788","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518596","9.2062","0.0007","16.7452","0.0012","17.6319","0.0014","90","","101.286","0.003","90","","2665.6","0.4","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 F4 P2 -","- C34 H26 F4 P2 -","- C136 H104 F16 P8 -","4","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.1251","0.0602","","","0.1335","0.1615","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518597","21.0973","0.0018","8.3882","0.0007","6.3567","0.0005","90","","102.383","0.003","90","","1098.76","0.16","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H22 F4 P2 -","- C25 H22 F4 P2 -","- C50 H44 F8 P4 -","2","0.5","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.0318","0.0277","","","0.0639","0.066","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518598","8.4256","0.0012","21.123","0.003","13.804","0.002","90","","95.055","0.007","90","","2447.2","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H26 B F21 P2 -","- C58 H26 B F21 P2 -","- C116 H52 B2 F42 P4 -","2","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.1033","0.048","","","0.0713","0.0852","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518599","18.8002","0.0009","17.1372","0.001","17.8001","0.0009","90","","102.564","0.002","90","","5597.6","0.5","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59.25 H28.5 B Cl2.5 F23 P2 -","- C58 H26 B F23 P2 -","- C232 H104 B4 F92 P8 -","4","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.0762","0.0458","","","0.1071","0.117","","","","","","0.989","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518609","19.6176","0.0012","7.5992","0.0005","25.2231","0.0015","90","","93.7263","0.0019","90","","3752.3","0.4","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 F6 N3 P S2 Se4 -","- C35 H28 F6 N3 P S2 Se4 -","- C140 H112 F24 N12 P4 S8 Se16 -","4","1","","Bedics, Matthew A.; Kearns, Hayleigh; Cox, Jordan M.; Mabbott, Sam; Ali, Fatima; Shand, Neil C.; Faulds, Karen; Benedict, Jason B.; Graham, Duncan; Detty, Michael R.","Extreme red shifted SERS nanotags","Chem. Sci.","2015","6","4","2302","","10.1039/C4SC03917C","","x-ray","0.71073","MoKα","","0.0911","0.0513","","","0.0967","0.1075","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518610","9.6321","0.0001","11.0943","0.0001","14.7022","0.0001","67.862","0.001","79.883","0.001","69.219","0.001","1359","0.02","223","2","223","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","2","","Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank","C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C","Chem. Sci.","2015","6","3","1816","","10.1039/C4SC03051F","","","1.54178","CuKα","","0.0397","0.038","","","0.1009","0.1029","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518611","19.1157","0.0009","5.7556","0.0003","29.6669","0.0011","90","","108.002","0.003","90","","3104.2","0.3","223","2","223","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C192 H128 -","8","2","","Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank","C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C","Chem. Sci.","2015","6","3","1816","","10.1039/C4SC03051F","","","1.54178","CuKα","","0.0792","0.0497","","","0.1229","0.1448","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518661","20.159","0.002","5.0166","0.0005","25.728","0.003","90","","109.164","0.004","90","","2457.7","0.5","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 S4 -","- C64 H48 S4 -","- C128 H96 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.7107","MoKα","","0.0948","0.0572","","","0.1149","0.1318","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518662","20.1","0.002","5.1652","0.0004","25.159","0.003","90","","109.501","0.006","90","","2462.2","0.4","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 S4 -","- C65 H50 S4 -","- C130 H100 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.71075","MoKα","","0.0457","0.0415","","","0.1033","0.106","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518663","7.6706","0.0011","17.4871","0.0015","20.506","0.003","90","","100.272","0.005","90","","2706.5","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Cl2 S4 -","- C68 H56 Cl2 S4 -","- C136 H112 Cl4 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.7107","MoKα","","0.0407","0.0376","","","0.1141","0.1202","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518664","21.43","0.005","5.2798","0.0012","24.95","0.006","90","","111.599","0.005","90","","2624.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C132 H104 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","1.54187","CuKα","","0.1559","0.0801","","","0.2251","0.2686","","","","","","0.887","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518665","20.0834","0.0007","5.2324","0.0002","24.6005","0.0008","90","","109.019","0.0015","90","","2444.01","0.15","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C132 H104 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","1.54187","CuKα","","0.0821","0.0635","","","0.1681","0.1873","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518666","14.5029","0.0006","8.9034","0.0004","14.9927","0.0006","90","","97.26","0.001","90","","1920.41","0.14","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(dmpe)SbF][OTf]2","","- C8 H16 F7 O6 P2 S2 Sb -","- C8 H16 F7 O6 P2 S2 Sb -","- C32 H64 F28 O24 P8 S8 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0269","0.0214","","","0.0473","0.049","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518667","11.4789","0.0003","11.9874","0.0003","26.0864","0.0007","91.82","0.001","97.564","0.001","112.074","0.001","3284.57","0.15","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","[(Me3P)3(nacnac)Sb4][OTf]3","","- C43 H71 F9 N3 O9 P3 S3 Sb4 -","- C43 H71 F9 N3 O9 P3 S3 Sb4 -","- C86 H142 F18 N6 O18 P6 S6 Sb8 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0565","0.0405","","","0.1047","0.1174","","","","","","1.173","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518668","23.986","0.016","21.83","0.014","22.193","0.015","90","","106.57","0.014","90","","11138","13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(Et3P)4Sb4][OTf]4","","- C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 -","- C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 -","- C232 H492 F96 N4 O96 P32 S32 Sb32 -","8","2","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","","0.71073","MoKα","","0.0626","0.056","","","0.1447","0.1485","","","","","","1.225","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518669","12.3127","0.0004","17.4575","0.0006","17.0214","0.0006","90","","91.03","0.002","90","","3658.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(nacnac)Sb(OTf)2","","- C31 H41 F6 N2 O6 S2 Sb -","- C31 H41 F6 N2 O6 S2 Sb -","- C124 H164 F24 N8 O24 S8 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","","0.71073","MoKα","","0.0362","0.0271","","","0.0635","0.0684","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518670","10.2147","0.0007","8.6511","0.0006","11.0323","0.0007","90","","94.5503","0.0008","90","","971.83","0.11","173","2","173.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[FPMe3][OTf]","","- C4 H9 F4 O3 P S -","- C4 H9 F4 O3 P S -","- C16 H36 F16 O12 P4 S4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0869","0.0888","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518671","13.4271","0.0009","11.8532","0.0008","15.7504","0.0011","90","","110.993","0.001","90","","2340.4","0.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Et3PPEt3][OTf]2","","- C14 H30 F6 O6 P2 S2 -","- C14 H30 F6 O6 P2 S2 -","- C56 H120 F24 O24 P8 S8 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0538","0.0372","","","0.0875","0.0961","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518672","11.1445","0.0001","12.0548","0.0001","14.8726","0.0002","67.197","0.006","84.942","0.006","67.025","0.006","1691.09","0.12","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cl5 F6 N5 O P2 Ru -","- C27 H24 Cl5 F6 N5 O P2 Ru -","- C54 H48 Cl10 F12 N10 O2 P4 Ru2 -","2","1","","Walden, Andrew G.; Miller, Alexander J. M.","Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide","Chem. Sci.","2015","6","4","2405","","10.1039/C5SC00032G","","","1.54178","CuKα","","0.0458","0.0383","","","0.0898","0.094","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518676","7.8451","0.0006","10.8055","0.001","41.681","0.003","90","","92.188","0.005","90","","3530.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C136 H200 N8 O16 Si8 -","8","2","","Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming","Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams","Chem. Sci.","2015","6","4","2275","","10.1039/C5SC00092K","","","0.71073","MoKα","","0.1392","0.1006","","","0.2419","0.2672","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518677","9.4678","0.0014","22.465","0.003","8.4857","0.0014","90","","94.892","0.015","90","","1798.3","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N O S -","- C19 H19 Cl2 N O S -","- C76 H76 Cl8 N4 O4 S4 -","4","1","","Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming","Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams","Chem. Sci.","2015","6","4","2275","","10.1039/C5SC00092K","","","0.71073","MoKα","","0.0797","0.0646","","","0.1837","0.1993","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518714","6.9163","0.0014","23.66","0.004","11.8396","0.0019","90","","97.078","0.009","90","","1922.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane)(h6-benzylammonium)ruthenium(II)","","- C14 H26 Cl3 N4 O P Ru -","- C14 H26 Cl3 N4 O P Ru -","- C56 H104 Cl12 N16 O4 P4 Ru4 -","4","1","","Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G.","Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action","Chem. Sci.","2015","6","4","2449","","10.1039/C4SC03905J","","","0.71073","MoKα","","0.1074","0.0548","","","0.1069","0.1242","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518715","10.5379","0.0005","12.8283","0.0006","13.7451","0.0007","100.766","0.002","97.279","0.002","91.491","0.002","1808.34","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido(1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane)(h6-N-benzylacetamide)ruthenium(II)","","- C15 H23 Cl2 N4 O P Ru -","- C15 H23 Cl2 N4 O P Ru -","- C60 H92 Cl8 N16 O4 P4 Ru4 -","4","2","","Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G.","Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action","Chem. Sci.","2015","6","4","2449","","10.1039/C4SC03905J","","","0.71073","MoKα","","0.0236","0.0203","","","0.0483","0.0505","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518716","25.187","0.006","8.1556","0.0019","21.154","0.005","90","","99.308","0.003","90","","4288.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H55 Cl2 N5 O10 -","- C42 H55 Cl2 N5 O10 -","- C168 H220 Cl8 N20 O40 -","4","1","","Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G.","Large ring-forming alkylations provide facile access to composite macrocycles","Chem. Sci.","2015","6","4","2219","","10.1039/C4SC03848G","","","0.71073","MoKα","","0.084","0.0682","","","0.1669","0.1758","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518727","24.05898","0.00014","12.60445","0.00006","17.26646","0.00009","90","","109.899","0.0006","90","","4923.42","0.05","120","1","120","1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H53 F3 N4 O3 P2 S -","- C53 H53 F3 N4 O3 P2 S -","- C212 H212 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","1.54184","CuKα","","0.0425","0.0418","","","0.1113","0.112","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518728","11.53121","0.00012","15.09347","0.00018","16.48026","0.00017","91.4726","0.0009","100.955","0.0009","90.9436","0.0009","2814.45","0.05","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H72 Cl Ir N4 P2 -","- C67 H72 Cl Ir N4 P2 -","- C134 H144 Cl2 Ir2 N8 P4 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.041","0.0357","","","0.073","0.0747","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518729","30.1754","0.0004","30.1754","0.0004","27.5094","0.0004","90","","90","","120","","21692.9","0.5","120","1","120","1","","","","","","","","7","R -3","-R 3","148","","","","- C54 H52 Cl Ir N4 O2 P2 -","- C47 H44 Cl Ir N4 O2 P2 -","- C846 H792 Cl18 Ir18 N72 O36 P36 -","18","","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0509","0.0361","","","0.0796","0.0839","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518730","13.28816","0.00019","15.4534","0.0002","18.6095","0.0002","66.4438","0.0013","87.7181","0.0011","64.8361","0.0015","3131.28","0.09","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H80 Cl2 Ir2 N4 P2 -","- C68 H76 Cl2 Ir2 N4 P2 -","- C136 H152 Cl4 Ir4 N8 P4 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0527","0.0408","","","0.0761","0.0798","","","","","","1.111","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518731","12.88426","0.0001","13.46559","0.00009","30.9781","0.0002","90","","99.5872","0.0007","90","","5299.46","0.07","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H62 Au2 Cl3 Ir N4 P2 -","- C53 H56 Au2 Cl3 Ir N4 P2 -","- C212 H224 Au8 Cl12 Ir4 N16 P8 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0414","0.0356","","","0.0829","0.0843","","","","","","1.333","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518738","20.703","0.004","9.885","0.002","14.702","0.003","90","","90","","90","","3008.8","1","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19.5 H18.5 As3 Cl6.5 S6 -","- C18 H18 As3 Cl3 S6 -","- C72 H72 As12 Cl12 S24 -","4","0.5","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.1259","0.0713","","","0.1818","0.21","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518739","14.2066","0.0008","14.2066","0.0008","33.41","0.002","90","","90","","120","","5839.7","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Cl3 S6 Sb3 -","- C18 H18 Cl3 S6 Sb3 -","- C108 H108 Cl18 S36 Sb18 -","6","0.166667","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","1.54178","CuKα","","0.0597","0.0532","","","0.1446","0.1493","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518740","10.0055","0.0019","12.424","0.002","16.522","0.003","81.285","0.003","88.456","0.003","84.579","0.003","2020.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 As3 Cl3 S6 -","- C30 H36 As3 Cl3 S6 -","- C60 H72 As6 Cl6 S12 -","2","1","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.1028","0.0909","","","0.239","0.2466","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518741","16.413","0.002","16.413","0.002","23.8","0.006","90","","90","","120","","5552.4","1.7","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 As3 Cl3 S6 -","- C30 H42 As3 Cl3 S6 -","- C180 H252 As18 Cl18 S36 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0731","0.0671","","","0.2213","0.229","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518742","16.0971","0.001","11.4604","0.0007","16.3368","0.001","90","","91.867","0.001","90","","3012.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl3 S6 Sb3 -","- C24 H30 Cl3 S6 Sb3 -","- C96 H120 Cl12 S24 Sb12 -","4","1","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0286","0.0233","","","0.0553","0.0577","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518743","16.458","0.0006","16.458","0.0006","23.9449","0.0008","90","","90","","120","","5616.9","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 Cl3 S6 Sb3 -","- C30 H42 Cl3 S6 Sb3 -","- C180 H252 Cl18 S36 Sb18 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0294","0.025","","","0.0679","0.0706","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518744","11.5382","0.0014","11.5382","0.0014","25.813","0.003","90","","90","","90","","3436.5","0.7","223","2","223","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C32 H30 N8 O5 Zn4 -","- C32 H30 N8 O5 Zn4 -","- C64 H60 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","0.71073","MoKα","","0.0628","0.0524","","","0.1545","0.1609","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518745","11.517","0.003","11.517","0.003","34.474","0.011","90","","90","","90","","4573","2","273","2","273","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C34 H32 N8 O5 Zn4 -","- C34 H32 N8 O5 Zn4 -","- C68 H64 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","1.54178","CuKα","","0.0814","0.0748","","","0.1927","0.1958","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518753","12.1667","0.0016","12.1867","0.0016","13.5954","0.0018","81.549","0.002","77.873","0.002","65.444","0.002","1788.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Me2NN]Cu(h2-ArFN=ArF)","","","- C37 H31 Cu F12 N4 -","- C37 H31 Cu F12 N4 -","- C74 H62 Cu2 F24 N8 -","2","1","","Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl","Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions","Chem. Sci.","2015","6","4","2474","","10.1039/C4SC03294B","","","0.71073","MoKα","","0.0555","0.0381","","","0.0921","0.0978","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518754","36.71","0.003","36.71","0.003","4.9148","0.0006","90","","90","","90","","6623.3","1.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ArFN=NArF","","","- C16 H6 F12 N2 -","- C16 H6 F12 N2 -","- C256 H96 F192 N32 -","16","1","","Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl","Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions","Chem. Sci.","2015","6","4","2474","","10.1039/C4SC03294B","","","0.71073","MoKα","","0.1031","0.0515","","","0.1382","0.1668","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518755","11.295","0.0011","10.512","0.0008","16.9583","0.0016","90","","102.328","0.004","90","","1967.1","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Au B Cl N2 O2 -","- C18 H27 Au B Cl N2 O2 -","- C72 H108 Au4 B4 Cl4 N8 O8 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.0456","0.0378","","","0.1144","0.1298","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518756","15.396","0.002","14.4925","0.0019","24.966","0.004","90","","100.935","0.006","90","","5469.4","1.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 Au B Cl N4 O4 -","- C53 H79 Au B Cl N4 O4 -","- C212 H316 Au4 B4 Cl4 N16 O16 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1174","0.0756","","","0.1671","0.1768","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518757","5.9513","0.0006","10.9562","0.0011","17.3953","0.0015","96.176","0.005","93.242","0.005","97.646","0.006","1114.73","0.19","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H27 B F3 Li N2 O5 S -","- C19 H27 B F3 Li N2 O5 S -","- C38 H54 B2 F6 Li2 N4 O10 S2 -","2","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1713","0.0685","","","0.1112","0.1408","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518758","16.46","0.002","13.8072","0.0016","11.9483","0.0018","90","","104.628","0.009","90","","2627.4","0.6","103","2","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B Cl N2 O2 Rh -","- C26 H38.734 B Cl N2 O2 Rh -","- C104 H154.936 B4 Cl4 N8 O8 Rh4 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1552","0.0886","","","0.1695","0.1934","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518759","35.4699","0.0014","10.667","0.0005","18.1337","0.0008","90","","115.404","0.002","90","","6197.6","0.5","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 B Cl Ir N2 O2 -","- C33 H47 B Cl Ir N2 O2 -","- C264 H376 B8 Cl8 Ir8 N16 O16 -","8","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.0443","0.0285","","","0.0536","0.0583","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518761","9.507","0.002","11.729","0.003","16.605","0.004","102.703","0.002","96.771","0.002","112.595","0.002","1625","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 F12 Fe2 O10 -","- C25 H23 F12 Fe2 O10 -","- C50 H46 F24 Fe4 O20 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0728","0.0481","","","0.1106","0.1249","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518762","9.7834","0.0007","20.8414","0.0016","12.0955","0.0009","90","","102.57","0.0019","90","","2407.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0329","0.0291","","","0.0656","0.0675","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518763","9.7979","0.0013","20.819","0.003","12.0998","0.0016","90","","102.659","0.003","90","","2408.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0348","0.0293","","","0.0687","0.0718","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518764","20.934","0.003","13.481","0.002","17.739","0.003","90","","92.848","0.002","90","","5000","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 F30 Fe3 O14 -","- C35 H19 F30 Fe3 O14 -","- C140 H76 F120 Fe12 O56 -","4","0.5","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0494","0.0422","","","0.1087","0.1149","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518765","9.464","0.0006","11.8255","0.0008","16.508","0.0011","102.022","0.0018","97.859","0.0018","112.682","0.0017","1618.3","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Fe Mn O10 -","- C25 H23 F12 Fe Mn O10 -","- C50 H46 F24 Fe2 Mn2 O20 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0729","0.0444","","","0.0987","0.111","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518766","9.7682","0.0007","20.7583","0.0015","12.0575","0.0009","90","","103.126","0.0017","90","","2381","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe Ni2 O14 -","- C35 H25 F24 Fe Ni2 O14 -","- C70 H50 F48 Fe2 Ni4 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.045","0.0349","","","0.0657","0.0698","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518779","30.868","0.006","17.517","0.004","24.155","0.005","90","","90","","90","","13061","5","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H34 Cl2 Ir N P2 -","- C38 H34 Cl2 Ir N P2 -","- C304 H272 Cl16 Ir8 N8 P16 -","8","0.5","","Liu, Chong; Xie, Jian-Hua; Tian, Gui-Long; Li, Wei; Zhou, Qi-Lin","Highly efficient hydrogenation of carbon dioxide to formate catalyzed by iridium(iii) complexes of imine‒diphosphine ligands","Chem. Sci.","2015","6","5","2928","","10.1039/C5SC00248F","","","0.71073","MoKα","","0.0988","0.0719","","","0.2005","0.2174","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518780","16.767","0.003","19.047","0.004","10.248","0.002","90","","127.038","0.003","90","","2612.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga1.67 O10 P2.5 Zn0.83 -","- Ga1.67 O10 P2.5 Zn0.83 -","- Ga13.36 O80 P20 Zn6.64 -","8","1","","Wu, Junbiao; Tao, Chunyao; Li, Yi; Li, Jiyang; Yu, Jihong","Methyl viologen-templated zinc gallophosphate zeolitic material with dual photo-/thermochromism and tuneable photovoltaic activity","Chem. Sci.","2015","6","5","2922","","10.1039/C5SC00291E","","","0.71073","MoKα","","0.0677","0.0466","","","0.1257","0.1353","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518781","12.7767","0.0005","13.894","0.0005","38.0545","0.0013","90.4567","0.0018","92.9881","0.0018","96.475","0.002","6702.5","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H59 B F29 Fe N3 P2 -","- C63 H59 B F29 Fe N3 P2 -","- C252 H236 B4 F116 Fe4 N12 P8 -","4","2","","Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L.","Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay","Chem. Sci.","2015","6","5","2737","","10.1039/C5SC00398A","","","0.71073","MoKα","","0.0655","0.0511","","","0.122","0.1288","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518782","17.569","0.004","10.302","0.002","19.781","0.004","90","","100.629","0.002","90","","3518.8","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(salen)Co-CO2CH3","","- C38 H55 Co N2 O4 -","- C38 H55 Co N2 O4 -","- C152 H220 Co4 N8 O16 -","4","1","","Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng","A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization","Chem. Sci.","2015","6","5","2979","","10.1039/C5SC00477B","","","0.71073","MoKα","","0.073","0.0698","","","0.1519","0.1534","","","","","","1.26","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518784","17.3182","0.0007","19.7092","0.0005","12.0924","0.0005","90","","120.773","0.002","90","","3546.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H29 B I N3 -","- C16 H29 B I N3 -","- C128 H232 B8 I8 N24 -","8","1","","Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault","Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts","Chem. Sci.","2015","6","5","2938","","10.1039/C5SC00394F","","","0.71073","MoKα","","0.0348","0.0244","","","0.0572","0.0596","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518785","7.1546","0.0004","12.8526","0.0007","20.4294","0.0006","90","","90","","90","","1878.59","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 B N3 O4 -","- C17 H30 B N3 O4 -","- C68 H120 B4 N12 O16 -","4","1","","Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault","Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts","Chem. Sci.","2015","6","5","2938","","10.1039/C5SC00394F","","","0.71073","MoKα","","0.0437","0.0378","","","0.0856","0.0882","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518786","7.4701","0.0002","19.7919","0.0005","11.1894","0.0003","90","","90","","90","","1654.32","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.036","0.0343","","","0.0966","0.0986","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518787","13.128","0.0006","37.8916","0.0017","10.29","0.0005","90","","90","","90","","5118.7","0.4","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H46 F6 Ir N4 O P -","- C58 H46 F6 Ir N4 O P -","- C232 H184 F24 Ir4 N16 O4 P4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0493","0.0467","","","0.121","0.1228","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518788","15.0877","0.001","13.1747","0.0009","18.093","0.0012","90","","96.094","0.002","90","","3576.1","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 F6 Ir N4 P -","- C44 H32 F6 Ir N4 P -","- C176 H128 F24 Ir4 N16 P4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0199","0.0192","","","0.0487","0.0492","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518789","10.8073","0.0006","13.5065","0.0008","20.8777","0.0012","80.953","0.003","86.577","0.003","78.797","0.003","2950.9","0.3","123","","123","","","","","","","","A.Buenzli","6","P -1","-P 1","2","","","","- C76 H60 F6 Ir N4 P -","- C76 H60 F6 Ir N4 P -","- C152 H120 F12 Ir2 N8 P2 -","2","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0243","0.0204","","0.0492","0.0474","0.0492","","","","","","0.9016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518821","11.6132","0.0009","14.7425","0.0011","16.9669","0.0013","87.393","0.003","71.112","0.003","80.062","0.003","2707","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","endo- [AuIII(Cfl^N^C)R]n","3-endo","","- C65 H80 Au N O -","- C65 H80 Au N O -","- C130 H160 Au2 N2 O2 -","2","1","","Ming Tong, Glenna So; Chan, Kaai Tung; Chang, Xiaoyong; Che, Chi-Ming","Theoretical studies on the photophysical properties of luminescent pincer gold(iii) arylacetylide complexes: the role of π-conjugation at the C-deprotonated [C^N^C] ligand","Chem. Sci.","2015","6","5","3026","","10.1039/C4SC03697B","","","1.54178","CuKα","","0.0426","0.0401","","","0.1015","0.1049","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518822","10.071","0.004","11.844","0.004","13.4","0.005","86.394","0.011","79.387","0.018","74.371","0.012","1512.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","05a","","- C35 H34 Au B Mn O2 P -","- C35 H34 Au B Mn O2 P -","- C70 H68 Au2 B2 Mn2 O4 P2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0161","0.0152","","","0.0373","0.0377","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518823","41.848","0.008","10.898","0.002","15.941","0.003","90","","91.024","0.009","90","","7269","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","05b","","- C43 H40 Au B Mn O2 P -","- C43 H40 Au B Mn O2 P -","- C344 H320 Au8 B8 Mn8 O16 P8 -","8","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.079","0.0449","","","0.0885","0.1043","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518824","13.491","0.002","13.559","0.002","16.412","0.002","90","","101.959","0.015","90","","2937","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","05c","","- C30 H29 Au B Mn N O2 P S -","- C30 H29 Au B Mn N O2 P S -","- C120 H116 Au4 B4 Mn4 N4 O8 P4 S4 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.037","0.03","","","0.0662","0.0688","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518825","18.435","0.006","33.798","0.015","17.288","0.005","90","","113.832","0.018","90","","9853","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","08","","- C46 H40 Au B3 Cl8 Mn2 O4 -","- C46 H40 Au B3 Cl8 Mn2 O4 -","- C368 H320 Au8 B24 Cl64 Mn16 O32 -","8","2","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0626","0.0462","","","0.0942","0.0999","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518826","12.2946","0.0006","13.8214","0.0006","16.0619","0.0008","88.083","0.002","67.993","0.002","83.916","0.002","2516.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","09_co-planar","","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","1","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.069","0.0545","","","0.1447","0.1555","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518827","11.184","0.004","36.556","0.015","13.609","0.004","90","","93.434","0.01","90","","5554","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","09_staggered","","- C53 H48 Ag B3 Cl8 Mn2 O4 -","- C53 H48 Ag B3 Cl8 Mn2 O4 -","- C212 H192 Ag4 B12 Cl32 Mn8 O16 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.1203","0.0977","","","0.1545","0.1631","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518828","18.444","0.009","33.901","0.013","17.285","0.005","90","","113.909","0.017","90","","9880","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","09'_staggered","","- C46 H40 Ag B3 Cl8 Mn2 O4 -","- C46 H40 Ag B3 Cl8 Mn2 O4 -","- C368 H320 Ag8 B24 Cl64 Mn16 O32 -","8","2","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0628","0.0481","","","0.1107","0.1189","","","","","","1.057","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1518829","11.0743","0.0018","36.198","0.009","13.711","0.004","90","","93.21","0.02","90","","5488","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","10","","- C53 H48 B3 Cl8 Cu Mn2 O4 -","- C53.007 H48.008 B3 Cl8 Cu Mn2 O4 -","- C212.028 H192.032 B12 Cl32 Cu4 Mn8 O16 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0821","0.0687","","","0.1331","0.137","","","","","","1.229","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518830","11.952","0.004","14.576","0.005","20.573","0.006","70.672","0.014","73.21","0.017","68.233","0.018","3084","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","11","","- C55 H50 B3 Cl12 Cu2 Mn3 O6 -","- C55 H50 B3 Cl12 Cu2 Mn3 O6 -","- C110 H100 B6 Cl24 Cu4 Mn6 O12 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0391","0.0299","","","0.0747","0.079","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518831","11.301","0.004","14.461","0.003","21.311","0.007","97.172","0.014","96.19","0.03","102.139","0.018","3345.8","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","11'","","- C67 H62 B3 Cl8 Cu2 Mn3 O6 -","- C67 H62 B3 Cl8 Cu2 Mn3 O6 -","- C134 H124 B6 Cl16 Cu4 Mn6 O12 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.069","0.0496","","","0.1287","0.1408","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518832","12.38","0.003","15.772","0.005","18.327","0.004","83.065","0.019","74.699","0.013","81.63","0.02","3402.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H50 Au B F24 P2 -","- C75 H50 Au B F24 P2 -","- C150 H100 Au2 B2 F48 P4 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0647","0.0468","","","0.103","0.1105","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518843","6.0325","0.0007","20.594","0.002","14.3515","0.0015","90","","97.425","0.005","90","","1768","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lm1HF1027B","4aba","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.0796","0.0479","","","0.1067","0.12","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518844","10.6026","0.0004","12.0053","0.0004","16.5199","0.0006","90","","105.806","0.002","90","","2023.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lm1iv2-O11-3","4aha","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.072","0.048","","","0.1066","0.1173","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518845","19.6584","0.0005","6.7792","0.0002","14.62","0.0004","90","","104.609","0.001","90","","1885.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lm1HF1105B","4aia","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.0565","0.0417","","","0.1095","0.1189","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518846","5.928","0.0004","7.6682","0.0005","11.3533","0.0008","90","","95.944","0.003","90","","513.31","0.06","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H9 Br Cl N O2 -","- C10 H9 Br Cl N O2 -","- C20 H18 Br2 Cl2 N2 O4 -","2","1","","Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao","Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion","Chem. Sci.","2015","6","5","3044","","10.1039/C5SC00221D","","","0.71073","MoKα","","0.0283","0.0264","","","0.054","0.0544","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518866","13.672","0.001","7.313","0.001","12.481","0.001","90","","94.296","0.001","90","","1244.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Dy N3 O6 -","- C11 H9 Dy N3 O6 -","- C44 H36 Dy4 N12 O24 -","4","1","","Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer","Chem. Sci.","2015","6","5","3095","","10.1039/C5SC00491H","","","0.71073","MoKα","","0.0186","0.0174","","","0.0471","0.048","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518867","13.655","0.001","7.278","0.001","12.428","0.001","90","","94.424","0.001","90","","1231.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O6 Y -","- C11 H9 N3 O6 Y -","- C44 H36 N12 O24 Y4 -","4","1","","Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer","Chem. Sci.","2015","6","5","3095","","10.1039/C5SC00491H","","","0.71073","MoKα","","0.03","0.0248","","","0.0735","0.0763","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518869","8.8838","0.0004","20.6864","0.001","22.5136","0.0011","68.276","0.003","78.717","0.003","89.509","0.003","3760","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N6 O10 -","- C42 H34 N6 O10 -","- C168 H136 N24 O40 -","4","2","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose","Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes","Chem. Sci.","2015","6","5","3087","","10.1039/C5SC00790A","","","1.54178","CuKα","","0.133","0.1173","","","0.266","0.2734","","","","","","1.152","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518870","10.4583","0.0009","13.5669","0.0012","19.947","0.0017","76.564","0.004","75.557","0.004","80.757","0.004","2649.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H57.75 N7 O7 -","- C67 H57.749 N7 O7 -","- C134 H115.498 N14 O14 -","2","1","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose","Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes","Chem. Sci.","2015","6","5","3087","","10.1039/C5SC00790A","","","1.54178","CuKα","","0.0662","0.0568","","","0.1263","0.1316","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518871","5.594","0.00016","47.1662","0.0011","9.2545","0.0003","90","","103.425","0.003","90","","2375.06","0.12","279.88","0.1","279.88","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Xu, Bingjia; He, Jiajun; Mu, Yingxiao; Zhu, Qiangzhong; Wu, Sikai; Wang, Yifan; Zhang, Yi; Jin, Chongjun; Lo, Changcheng; Chi, Zhenguo; Lien, Alan; Liu, Siwei; Xu, Jiarui","Very bright mechanoluminescence and remarkable mechanochromism using a tetraphenylethene derivative with aggregation-induced emission","Chem. Sci.","2015","6","5","3236","","10.1039/C5SC00466G","","","1.54184","CuKα","","0.066","0.0566","","","0.1381","0.1437","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518875","22.502","0.002","12.882","0.0012","21.773","0.0014","90","","98.995","0.005","90","","6233.7","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H84 N0 O26 Zn8 -","- C42 H84 O26 Zn8 -","- C168 H336 O104 Zn32 -","4","0.5","","Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz","Development of zinc alkyl/air systems as radical initiators for organic reactions","Chem. Sci.","2015","6","5","3102","","10.1039/C5SC00600G","","","0.71073","MoKα","","0.1605","0.0956","","","0.191","0.2492","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518876","9.5731","0.0004","10.8542","0.0006","13.0771","0.0007","77.371","0.002","83.044","0.003","80.914","0.003","1304.01","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H64 O26 Zn8 -","- C38 H64 O26 Zn8 -","- C38 H64 O26 Zn8 -","1","0.5","","Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz","Development of zinc alkyl/air systems as radical initiators for organic reactions","Chem. Sci.","2015","6","5","3102","","10.1039/C5SC00600G","","","0.71073","MoKα","","0.0535","0.0391","","","0.0774","0.0831","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518882","13.468","0.002","14.272","0.002","20.836","0.003","85.98","0.02","89.96","0.02","87.39","0.02","3991","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82.5 H86 B Cr F24 N2 -","- C82.5 H86 B Cr F24 N2 -","- C165 H172 B2 Cr2 F48 N4 -","2","1","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.0614","0.038","","","0.0802","0.0898","","","","","","1.012","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518883","16.958","0.003","10.973","0.002","22.073","0.005","90","","108.91","0.02","90","","3885.7","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Cl2 Cr N2 -","- C40 H62 Cl2 Cr N2 -","- C160 H248 Cl8 Cr4 N8 -","4","0.5","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.033","0.0277","","","0.0697","0.0727","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518884","9.636","0.002","12.053","0.002","19.94","0.003","102.29","0.02","95.37","0.02","106.71","0.02","2137.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 Cl Cr N2 -","- C47 H70 Cl Cr N2 -","- C94 H140 Cl2 Cr2 N4 -","2","1","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.0467","0.0341","","","0.0752","0.0814","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518906","13.707","0.002","6.3468","0.001","13.269","0.003","90","","103.472","0.008","90","","1122.6","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H18 O2 -","- C34 H18 O2 -","- C68 H36 O4 -","2","0.5","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.0409","0.0302","","","0.0873","0.1011","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518907","18.9562","0.0015","15.493","0.0015","14.8168","0.0014","90","","90","","90","","4351.5","0.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H16 O2 -","- C34 H16 O2 -","- C272 H128 O16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.1353","0.0651","","","0.1611","0.19","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518908","34.006","0.002","7.6167","0.0005","36.832","0.002","90","","90","","90","","9540","1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C59 H61 Si2 -","- C59 H61 Si2 -","- C472 H488 Si16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.175","0.0778","","","0.1623","0.2072","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518942","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518943","11.0079","0.0002","6.36439","0.00012","13.7975","0.001","90","","110.712","0.008","90","","904.16","0.08","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 Si -","- C18 H30 O5 Si -","- C36 H60 O10 Si2 -","2","1","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0313","","","","0.0816","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518946","11.5587","0.0013","11.8263","0.0013","17.672","0.002","92.233","0.003","102.972","0.003","108.187","0.002","2220.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F3 N2 O -","- C11 H9 F3 N2 O -","- C88 H72 F24 N16 O8 -","8","4","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","0.71073","MoKα","","0.096","0.056","","","0.1578","0.187","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518947","9.0634","0.0015","5.8062","0.0011","9.8369","0.0015","90","","90.567","0.012","90","","517.63","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C20 H18 F6 N4 O2 -","2","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0684","0.0436","","","0.1306","0.1464","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518948","5.7467","0.0001","9.4574","0.0001","27.5934","0.0004","90","","90","","90","","1499.67","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C68 H60 F12 N8 O4 -","4","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0445","0.0426","","","0.1187","0.1214","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518949","23.6399","0.0019","5.207","0.0003","15.042","0.001","90","","107.545","0.005","90","","1765.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N2 S2 -","- C46 H46 N2 S2 -","- C92 H92 N4 S4 -","2","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.0986","0.0661","","","0.1554","0.1749","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518950","43.2109","0.0016","43.2109","0.0016","5.0578","0.0002","90","","90","","120","","8178.6","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H42 N2 S4 -","- C42 H42 N2 S4 -","- C378 H378 N18 S36 -","9","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.0707","0.0583","","","0.1502","0.156","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518951","15.3148","0.0009","5.2027","0.0003","21.5181","0.0012","90","","93.605","0.004","90","","1711.13","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N2 O2 -","- C46 H46 N2 O2 -","- C92 H92 N4 O4 -","2","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.1069","0.0748","","","0.213","0.2409","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518952","12.536","0.002","12.3769","0.0018","13.069","0.003","90","","115.499","0.007","90","","1830.2","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7a","","","- C34 H36 Cl2 Mo2 N6 O4 -","- C34 H36 Cl2 Mo2 N6 O4 -","- C68 H72 Cl4 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.1061","0.0918","","","0.2248","0.2441","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518953","12.6064","0.0014","14.1061","0.0014","19.183","0.002","90","","101.372","0.006","90","","3344.3","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9a","","","- C62 H102 Cl4 Mo2 N6 O4 -","- C62 H102 Cl4 Mo2 N6 O4 -","- C124 H204 Cl8 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0877","0.0783","","","0.1652","0.1724","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518954","12.142","0.004","13.615","0.004","17.274","0.006","78.896","0.009","84.467","0.011","69.112","0.008","2616.8","1.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","10a","","","- C48 H69 Cl4 Mo2 N6 O4 -","- C48 H69 Cl4 Mo2 N6 O4 -","- C96 H138 Cl8 Mo4 N12 O8 -","2","1","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0971","0.0819","","","0.2007","0.225","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518955","11.752","0.005","15.014","0.007","11.14","0.005","90","","109.276","0.003","90","","1855.4","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","11a","","","- C34 H36 Cl4 Mo2 N6 O4 -","- C34 H36 Cl4 Mo2 N6 O4 -","- C68 H72 Cl8 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0619","0.0571","","","0.1151","0.1184","","","","","","1.215","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518956","25.4376","0.0001","25.4376","0.0001","25.4376","0.0001","90","","90","","90","","16459.9","0.11","293","0.1","293","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H130 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0596","0.0563","","","0.1595","0.1637","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518957","25.4213","0.0002","25.4213","0.0002","25.4213","0.0002","90","","90","","90","","16428.3","0.2","293","0.1","293","0.1","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H124 Cu3 N12 O32 Zr6 -","- C216 H120 Cu3 N12 O32 Zr6 -","- C216 H120 Cu3 N12 O32 Zr6 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0776","0.0633","","","0.1814","0.1913","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518958","25.3976","0.0001","25.3976","0.0001","25.3976","0.0001","90","","90","","90","","16382.4","0.11","293","0.1","293","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H130 Hf6 N12 O32 -","- C216 H120 Hf6 N12 O32 -","- C216 H120 Hf6 N12 O32 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.033","0.0306","","","0.1019","0.1032","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518959","25.357","0.0001","25.357","0.0001","25.357","0.0001","90","","90","","90","","16304","0.11","293.01","0.1","293.01","0.1","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H124 Cu3 Hf6 N12 O32 -","- C216 H120 Cu3 Hf6 N12 O32 -","- C216 H120 Cu3 Hf6 N12 O32 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0422","0.0397","","","0.1188","0.1203","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518983","9.0462","0.0001","22.0677","0.0002","14.1102","0.0001","90","","91.134","0.001","90","","2816.25","0.04","173","0.14","173","0.14","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0407","0.0383","","","0.0911","0.0927","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518984","9.6681","0.0002","17.2389","0.0004","20.8625","0.0005","90","","90.222","0.002","90","","3477.07","0.14","173.1","0.5","173.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Cl3 -","- C45 H31 Cl3 -","- C180 H124 Cl12 -","4","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0876","0.0779","","","0.1766","0.1815","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518985","28.4","0.0007","12.0889","0.0002","20.7374","0.0006","90","","110.271","0.003","90","","6678.7","0.3","173","0.3","173","0.3","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 -","- C48 H32 -","- C384 H256 -","8","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0409","0.0383","","","0.0946","0.0966","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518986","9.2686","0.0002","7.5344","0.0001","22.0069","0.0005","90","","91.349","0.002","90","","1536.39","0.05","173","0.14","173","0.14","","","","","","","","2","P 1 21 1","P 2yb","4","","BDPM-DHT","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0578","0.0557","","","0.1504","0.1517","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518987","14.1659","0.0008","25.5435","0.0014","20.2558","0.0015","90","","95.695","0.007","90","","7293.3","0.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd(IPr*)(PCy3)","(N,N'-bis(2,6‒bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)(tricyclohexylphosphine) palladium","","- C93 H95 N2 P Pd -","- C93 H95 N2 P Pd -","- C372 H380 N8 P4 Pd4 -","4","1","","Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli","Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence","Chem. Sci.","2015","6","5","3248","","10.1039/C4SC03914A","","","0.71075","MoKα","","","0.0578","","","","0.1459","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518988","12.889","0.003","27.082","0.007","14.073","0.004","90","","92.483","0.004","90","","4908","2","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pd(SIPr)2","Bis(N,N'-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene)palladium","","- C54 H76 N4 Pd -","- C54 H76 N4 Pd -","- C216 H304 N16 Pd4 -","4","1","","Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli","Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence","Chem. Sci.","2015","6","5","3248","","10.1039/C4SC03914A","","","0.71075","MoKα","","","0.102","","","","0.236","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519000","12.8361","0.0014","15.5717","0.0018","15.9281","0.0017","100.921","0.004","109.976","0.004","108.18","0.004","2682","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","1","0.5","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","0.71073","MoKα","","0.0789","0.0506","","","0.1087","0.1184","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519001","12.85","0.0012","15.5881","0.0015","15.9283","0.0015","100.951","0.005","110.033","0.005","108.118","0.005","2687.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","1","0.5","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","1.54178","CuKα","","0.1098","0.0771","","","0.2016","0.236","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519002","15.0498","0.0012","15.6708","0.0013","17.4668","0.0015","111.901","0.003","107.076","0.003","102.416","0.003","3400.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C85.5 H87 N5 Ni -","- C85.5 H87 N5 Ni -","- C171 H174 N10 Ni2 -","2","1","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","0.71073","MoKα","","0.0545","0.0423","","","0.1027","0.1095","","","","","","0.999","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1519367","12.2849","0.0004","16.0628","0.0003","14.7939","0.0004","90","","113.273","0.003","90","","2681.74","0.14","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)iodine]perchlorate","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C80 H80 Cl8 I8 N16 O32 -","8","2","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0384","0.0278","","","0.079","0.0872","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519368","13.6827","0.0006","6.7491","0.0003","8.4045","0.0003","90","","106.045","0.004","90","","745.89","0.06","170","0.1","170","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[bis(pyridine)iodine]hexafluorophosphate","","- C10 H10 F6 I N2 P -","- C10 H10 F6 I N2 P -","- C20 H20 F12 I2 N4 P2 -","2","0.25","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0172","0.0172","","","0.0427","0.0427","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519369","6.9674","0.0004","7.1797","0.0003","7.7358","0.0004","91.775","0.004","101.402","0.005","96.682","0.004","376.18","0.03","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","[bis(pyridine)iodine]hexafluoroantimonate","","- C10 H10 F6 I N2 Sb -","- C10 H10 F6 I N2 Sb -","- C10 H10 F6 I N2 Sb -","1","0.5","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0268","0.0218","","","0.0562","0.0638","","","","","","1.093","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519370","7.0091","0.0004","10.6722","0.0006","10.7542","0.0008","93.455","0.005","105.677","0.006","104.138","0.005","744.16","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","[bis(pyridine)iodine]triflate","","- C11 H10 F3 I N2 O3 S -","- C11 H10 F3 I N2 O3 S -","- C22 H20 F6 I2 N4 O6 S2 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","1.54184","CuKα","","0.0526","0.0502","","","0.1616","0.1635","","","","","","1.144","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519371","9.0892","0.0004","21.1577","0.0013","10.0924","0.0005","90","","115.781","0.006","90","","1747.65","0.18","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)iodine]tosylate","","- C17 H17 I N2 O3 S -","- C17 H17 I N2 O3 S -","- C68 H68 I4 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.036","0.0297","","","0.0565","0.0588","","","","","","1.084","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519372","7.0864","0.0003","7.4613","0.0003","13.5366","0.0006","99.491","0.004","94.725","0.004","117.637","0.004","614.97","0.05","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","[bis(pyridine)iodine]nitrate","","- C10 H10 I N3 O3 -","- C10 H10 I N3 O3 -","- C20 H20 I2 N6 O6 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0527","0.0332","","","0.0956","0.1043","","","","","","1","","","","has coordinates,has disorder","143323","2020-10-21","18:00:00",""
"1519373","7.2894","0.0002","13.3581","0.0003","16.9874","0.0005","90","","101.989","0.003","90","","1618.03","0.08","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)silver]tetrafluoroborate","","- C12 H14 Ag B Cl2 F4 N2 -","- C12 H14 Ag B Cl2 F4 N2 -","- C48 H56 Ag4 B4 Cl8 F16 N8 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0363","0.0308","","","0.0795","0.0834","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519374","7.2442","0.0002","13.3604","0.0003","16.9657","0.0004","90","","101.394","0.003","90","","1609.67","0.07","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)silver]perchlorate","","- C12 H14 Ag Cl3 N2 O4 -","- C12 H14 Ag Cl3 N2 O4 -","- C48 H56 Ag4 Cl12 N8 O16 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0339","0.0294","","","0.0737","0.0765","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519375","9.968","0.002","10.512","0.002","10.679","0.002","111.37","0.03","116.82","0.03","97.43","0.03","869.9","0.6","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","[bis(pyridine)silver]hexafluorophosphate","","- C12 H14 Ag Cl2 F6 N2 P -","- C12 H14 Ag Cl2 F6 N2 P -","- C24 H28 Ag2 Cl4 F12 N4 P2 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0818","0.0535","","","0.0915","0.1009","","","","","","1.05","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519376","12.6882","0.0003","13.8467","0.0003","11.1581","0.0003","90","","112.12","0.003","90","","1816.08","0.09","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]hexafluoroantimonate","","- C12 H14 Ag Cl2 F6 N2 Sb -","- C12 H14 Ag Cl2 F6 N2 Sb -","- C48 H56 Ag4 Cl8 F24 N8 Sb4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0234","0.0203","","","0.0424","0.0445","","","","","","1.046","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519377","7.952","0.0004","17.294","0.0006","10.7947","0.0006","90","","95.624","0.002","90","","1477.36","0.12","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]triflate","","- C11 H10 Ag F3 N2 O3 S -","- C11 H10 Ag F3 N2 O3 S -","- C44 H40 Ag4 F12 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.097","0.0508","","","0.098","0.1141","","","","","","1.021","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519378","9.8088","0.0002","15.4242","0.0003","11.5973","0.0003","90","","100.033","0.002","90","","1727.76","0.07","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]tosylate","","- C17 H17 Ag N2 O3 S -","- C17 H17 Ag N2 O3 S -","- C68 H68 Ag4 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0243","0.0214","","","0.0488","0.0504","","","","","","1.048","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519379","7.4958","0.0003","10.0405","0.0005","12.7988","0.0006","82.991","0.004","83.259","0.004","76.743","0.004","926.59","0.08","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","[bis(pyridine)silver]nitrate","","- C15 H15 Ag2 N5 O6 -","- C15 H15 Ag2 N5 O6 -","- C30 H30 Ag4 N10 O12 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0334","0.028","","","0.0607","0.0657","","","","","","1.023","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519380","5.7265","0.0002","14.7681","0.0006","14.6482","0.0006","90","","96.59","0.004","90","","1230.61","0.08","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[bis(pyridine)silver]nitrate","","- C10 H12 Ag N3 O4 -","- C10 H12 Ag N3 O4 -","- C40 H48 Ag4 N12 O16 -","4","0.5","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0195","0.0179","","","0.0404","0.0415","","","","","","1.097","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519381","7.2198","0.0003","13.3083","0.0005","14.6862","0.0005","116.693","0.004","90.96","0.003","90.319","0.003","1260.4","0.09","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","[(1,2-bis(pyridin-2-ylethynyl)benzene)silver]nitrate","","- C22.5 H17 Ag Cl5 N3 O3 -","- C22.5 H17 Ag Cl5 N3 O3 -","- C45 H34 Ag2 Cl10 N6 O6 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","x-ray","1.54184","CuKα","","0.0419","0.0406","","","0.1067","0.1081","","","","","","1.065","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519382","17.809","0.002","18.594","0.002","22.412","0.003","73.894","0.004","83.175","0.004","71.769","0.003","6768.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H79 B Cl N6 O13 S6 -","- C57.125 H71.485 B Cl0.25 N6 O13 S6 -","- C228.5 H285.94 B4 Cl N24 O52 S24 -","4","2","","Rudolf, Marc; Trukhina, Olga; Perles, Josefina; Feng, Lai; Akasaka, Takeshi; Torres, Tomas; Guldi, Dirk M.","Taming C60fullerene: tuning intramolecular photoinduced electron transfer process with subphthalocyanines","Chem. Sci.","2015","6","7","4141","","10.1039/C5SC00223K","","","0.71073","MoKα","","0.1661","0.108","","","0.2951","0.3655","","","","","","1.315","","","","has coordinates,has disorder","143325","2020-10-21","18:00:00",""
"1519383","14.749","0.003","15.266","0.003","18.081","0.004","72.467","0.005","83.794","0.004","81.014","0.004","3826.2","1.4","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 Fe2 Mo2 N12 P4 -","- C72 H102 Fe2 Mo2 N12 P4 -","- C144 H204 Fe4 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0452","","","","0.0934","","","","","","1.013","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519384","14.7212","0.0003","15.3604","0.0003","18.0121","0.0004","72.7582","0.0007","84.4816","0.0007","81.1096","0.0007","3837.72","0.14","198","","198","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 Mo2 N12 P4 Ru2 -","- C72 H102 Mo2 N12 P4 Ru2 -","- C144 H204 Mo4 N24 P8 Ru4 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0424","","","","0.0746","","","","","","1.007","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519385","21.9221","0.001","15.852","0.0007","14.007","0.0006","90","","121.631","0.0009","90","","4144.4","0.3","173","","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H65 Cl3 Fe Mo N P2 -","- C39 H51 Cl3 Fe Mo N P2 -","- C156 H204 Cl12 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.065","","","","0.1225","","","","","","1.038","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519386","13.2456","0.0006","15.6143","0.0006","24.2272","0.0012","90.538","0.0013","102.695","0.0014","112.964","0.001","4475.5","0.3","198","","198","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H64 Cl5 Fe Mo N P2 -","- C39 H64 Cl5 Fe Mo N P2 -","- C156 H256 Cl20 Fe4 Mo4 N4 P8 -","4","2","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0927","","","","0.1751","","","","","","0.981","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1519387","18.9384","0.0012","19.521","0.0011","13.7984","0.0008","90","","120.86","0.0011","90","","4379","0.5","198","","198","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H57 Cl5 Fe Mo N P2 -","- C40 H57 Cl5 Fe Mo N P2 -","- C160 H228 Cl20 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0503","","","","0.0968","","","","","","1.012","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519388","11.295","0.005","12.39","0.004","16.088","0.003","90","","90","","90","","2251.4","1.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N5 O2 -","- C27 H25 N5 O2 -","- C108 H100 N20 O8 -","4","1","","Li, Qi; Xia, Tingting; Yao, Licheng; Deng, Haiteng; Liao, Xuebin","Enantioselective and diastereoselective azo-coupling/iminium-cyclizations: a unified strategy for the total syntheses of (−)-psychotriasine and (+)-pestalazine B","Chem. Sci.","2015","6","6","3599","","10.1039/C5SC00338E","","","0.71073","MoKα","","0.0602","0.0412","","","0.0739","0.0849","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519389","10.8676","0.0015","12.3446","0.0016","19.476","0.003","75.286","0.007","86.422","0.006","86.274","0.008","2518.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H70 N2 O4 -","- C60 H70 N2 O4 -","- C120 H140 N4 O8 -","2","1","","Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht","Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates","Chem. Sci.","2015","6","7","3706","","10.1039/C5SC01027F","","","0.71073","MoKα","","0.1476","0.0546","","","0.1071","0.1456","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519390","12.309","0.0019","37.444","0.007","10.6821","0.0017","90","","91.78","0.008","90","","4921","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 N2 O6 -","- C55 H72 N2 O6 -","- C220 H288 N8 O24 -","4","1","","Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht","Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates","Chem. Sci.","2015","6","7","3706","","10.1039/C5SC01027F","","","0.71073","MoKα","","0.1409","0.0678","","","0.1658","0.1922","","","","","","0.917","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519391","18.4298","0.0012","18.4298","0.0012","16.84","0.0011","90","","90","","120","","4953.5","0.6","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl N3 Si6 Th -","- C18 H54 Cl N3 Si6 Th -","- C108 H324 Cl6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0213","0.0176","","","0.0417","0.0437","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519392","18.404","0.004","18.404","0.004","29.626","0.007","90","","90","","120","","8690","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H82 Cl2 N3 Na O4.5 Si6 Th -","- C36 H90 Cl2 N3 Na O4.5 Si6 Th -","- C216 H540 Cl12 N18 Na6 O27 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0745","0.0503","","","0.1166","0.1272","","","","","","1","","","","has coordinates","189369","2020-10-21","18:00:00",""
"1519393","18.328","0.005","18.328","0.005","17.356","0.005","90","","90","","120","","5049","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 I N3 Si6 Th -","- C18 H54 I N3 Si6 Th -","- C108 H324 I6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0458","0.0295","","","0.0681","0.0772","","","","","","0.891","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519394","12.955","0.002","13.0253","0.0019","16.867","0.002","85.654","0.003","77.178","0.003","79.336","0.003","2725.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H73 N2 O2 Si4 Th -","- C53 H73 N2 O2 Si4 Th -","- C106 H146 N4 O4 Si8 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0452","0.031","","","0.0612","0.0653","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519395","10.5938","0.001","11.5867","0.0011","19.595","0.0019","96.883","0.002","91.006","0.002","96.27","0.002","2372.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H69 N3 S Si6 Th -","- C37 H69 N3 S Si6 Th -","- C74 H138 N6 S2 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0518","0.035","","","0.0702","0.075","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519396","20.457","0.003","20.307","0.003","25.358","0.003","90","","90","","90","","10534","3","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H83 K N3 O7.5 Si6 Th -","- C32 H78 K N3 O7.5 Si6 Th -","- C256 H624 K8 N24 O60 Si48 Th8 -","8","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.1507","0.1001","","","0.1885","0.2046","","","","","","1.207","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519397","12.7484","0.0016","18.891","0.002","21.817","0.003","91.554","0.002","105.863","0.002","92.564","0.002","5044.8","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 S Si6 Th -","- C30 H78 K N3 O6 S Si6 Th -","- C120 H312 K4 N12 O24 S4 Si24 Th4 -","4","2","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0617","0.0387","","","0.1126","0.1275","","","","","","0.87","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519398","8.5417","0.0005","8.0442","0.0005","7.4465","0.0004","90","","99.017","0.005","90","","505.33","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F4 O6 -","- C4 H3 F2 O3 -","- C16 H12 F8 O12 -","4","1","","Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong","Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters","Chem. Sci.","2015","6","8","4438","","10.1039/C5SC00253B","","","1.54184","CuKα","","0.0504","0.0462","","","0.1414","0.1463","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519399","6.332","0.006","4.701","0.005","17.423","0.016","90","","95.605","0.015","90","","516.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 F4 O4 -","- C10 H6 F4 O4 -","- C20 H12 F8 O8 -","2","0.5","","Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong","Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters","Chem. Sci.","2015","6","8","4438","","10.1039/C5SC00253B","","","0.71073","MoKα","","0.0709","0.065","","","0.1877","0.206","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519400","25.233","0.005","22.054","0.004","17.997","0.004","90","","99.09","0.03","90","","9889","4","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93.62 Ga4 Gd2 N15 O31.31 -","- C94 H85 Ga4 Gd2 N15 O31.31 -","- C376 H340 Ga16 Gd8 N60 O125.24 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","0.71073","MoKα","","0.0616","0.0422","","","0.1051","0.1206","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519401","25.1697","0.0006","22.1217","0.0006","17.9895","0.0005","90","","99.302","0.001","90","","9884.8","0.5","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Ga4 N15 O31 Tb2 -","- C94 H85 Ga4 N15 O31 Tb2 -","- C376 H340 Ga16 N60 O124 Tb8 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","0.71073","MoKα","","0.0657","0.0372","","","0.0814","0.098","","","","","","1.13","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519402","25.1638","0.0018","22.1781","0.0004","18.0649","0.0003","90","","99.353","0.007","90","","9947.7","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Dy2 Ga4 N15 O31 -","- C94 H85 Dy2 Ga4 N15 O31 -","- C376 H340 Dy8 Ga16 N60 O124 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0627","0.0572","","","0.1545","0.1591","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519403","25.1476","0.0005","22.138","0.0004","18.0285","0.0013","90","","99.177","0.007","90","","9908.3","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C93 H91 Er2 Ga4 N15 O31 -","- C93 H81 Er2 Ga4 N15 O31 -","- C372 H324 Er8 Ga16 N60 O124 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0957","0.0868","","","0.2382","0.2574","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519404","25.1053","0.0018","22.1794","0.0004","18.0733","0.0003","90","","99.377","0.007","90","","9929.1","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Ga4 N15 O31 Y2 -","- C94 H85 Ga4 N15 O31 Y2 -","- C376 H340 Ga16 N60 O124 Y8 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0459","0.0437","","","0.1221","0.1238","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519405","5.8732","0.0017","11.684","0.003","28.383","0.008","90","","90","","90","","1947.7","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0477","","","0.109","0.119","","","","","","1.013","","","","has coordinates","143335","2020-10-21","18:00:00",""
"1519406","11.541","0.0007","11.541","0.0007","52.812","0.005","90","","90","","120","","6091.9","0.8","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C35 H38 B F4 N3 O Si -","- C35 H38 B F4 N3 O Si -","- C210 H228 B6 F24 N18 O6 Si6 -","6","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0499","","","0.1267","0.1341","","","","","","1.003","","","","has coordinates","143335","2020-10-21","18:00:00",""
"1519407","17.6073","0.0006","17.0188","0.0007","25.0871","0.001","90","","101.722","0.002","90","","7360.7","0.5","110","2","110","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","PCN-22","","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","1","0.25","","Yuan, Shuai; Liu, Tian-Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying-Pin; Bosch, Mathieu; Zou, Lanfang; Teat, Simon J.; Dalgarno, Scott J.; Zhou, Hong-Cai","A single crystalline porphyrinic titanium metal‒organic framework","Chem. Sci.","2015","6","7","3926","","10.1039/C5SC00916B","","","0.71073","MoKα","","0.1262","0.0953","","","0.2222","0.2321","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519408","7.2307","0.0003","12.06","0.0005","14.471","0.0006","74.425","0.0017","82.9797","0.0018","79.6363","0.0018","1192.09","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl N5 O4 Pt -","- C25 H22 Cl N5 O4 Pt -","- C50 H44 Cl2 N10 O8 Pt2 -","2","1","","Tsai, Johnson Lui-Lui; Zou, Taotao; Liu, Jia; Chen, Tianfeng; Chan, Anna On-Yee; Yang, Chen; Lok, Chun-Nam; Che, Chi-Ming","Luminescent platinum(ii) complexes with self-assembly and anti-cancer properties: hydrogel, pH dependent emission color and sustained-release properties under physiological conditions","Chem. Sci.","2015","6","7","3823","","10.1039/C4SC03635B","","","1.54178","CuKα","","0.0428","0.0404","","","0.1075","0.1098","","","","","","1.068","","","","has coordinates","143344","2020-10-21","18:00:00",""
"1519409","6.2836","0.0003","12.6214","0.0007","37.0026","0.0017","90","","90","","90","","2934.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O3 -","- C17 H17 Cl O3 -","- C136 H136 Cl8 O24 -","8","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0297","0.0279","","","0.0709","0.0716","","","","","","1.056","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519410","12.1037","0.0002","6.87725","0.00012","16.6432","0.0003","90","","92.6683","0.0016","90","","1383.88","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0829","0.0823","","","0.2479","0.2481","","","","","","1.078","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519411","7.0438","0.0005","11.6921","0.0007","9.8846","0.0007","90","","108.47","0.008","90","","772.13","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl O3 -","- C18 H19 Cl O3 -","- C36 H38 Cl2 O6 -","2","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0336","0.0328","","","0.0886","0.0893","","","","","","1.062","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519412","6.71816","0.00007","13.19234","0.00016","17.888","0.0002","90","","90","","90","","1585.38","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0299","0.0295","","","0.0786","0.0789","","","","","","1.054","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519413","9.632","0.002","9.726","0.002","11.729","0.003","90","","90","","90","","1098.8","0.4","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cl O3 -","- C12 H9 Cl O3 -","- C48 H36 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0471","0.0437","","","0.1154","0.1182","","","","","","1.073","","","","has coordinates","143346","2020-10-21","18:00:00",""
"1519414","7.45","0.0009","7.796","0.0009","21.193","0.003","90","","90","","90","","1230.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Br Cl O3 -","- C12 H8 Br Cl O3 -","- C48 H32 Br4 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0494","0.0386","","","0.0941","0.0988","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519415","19.3042","0.0005","19.3042","0.0005","19.3042","0.0005","90","","90","","90","","7193.8","0.3","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Y-ftw-MOF-1","","- C114 H86 O52 Y6 -","- C114 H86 O51.96 Y6 -","- C114 H86 O51.96 Y6 -","1","0.0208333","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.0922","0.0834","","","0.2599","0.2626","","","","","","1.189","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519416","40.048","0.003","40.048","0.003","40.048","0.003","90","","90","","90","","64231","8","296","2","296.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-2","","- C138 H78 O35 Y6 -","- C138 H78 O35 Y6 -","- C1104 H624 O280 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.1233","0.0983","","","0.238","0.2493","","","","","","1.174","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1519417","48.111","0.016","48.111","0.016","48.111","0.016","90","","90","","90","","111361","6","284","2","284","2","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-3","","- C162 H78 O32 Y6 -","- C162 H78 O32 Y6 -","- C1296 H624 O256 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.104","0.0779","","","0.2006","0.2196","","","","","","0.871","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1519418","7.9685","0.0007","11.0136","0.0009","16.1416","0.0014","90","","90","","90","","1416.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F S -","- C17 H17 F S -","- C68 H68 F4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0286","0.0284","","","0.0709","0.0711","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519419","9.4841","0.0003","9.9993","0.0003","14.7157","0.0005","90","","90","","90","","1395.55","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F O S -","- C17 H17 F O S -","- C68 H68 F4 O4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0274","0.0265","","","0.0665","0.067","","","","","","1.048","","","","has coordinates","138472","2020-10-21","18:00:00",""
"1519420","14.663","0.0003","9.5972","0.0003","10.7876","0.0004","90","","109.646","0.002","90","","1429.7","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F O2 S -","- C17 H17 F O2 S -","- C68 H68 F4 O8 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0573","0.0389","","","0.0844","0.0922","","","","","","1.023","","","","has coordinates","138472","2020-10-21","18:00:00",""
"1519421","20.3421","0.0007","4.6595","0.0002","9.8133","0.0004","90","","90","","90","","930.14","0.06","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H8 F N O3 S -","- C8 H8 F N O3 S -","- C32 H32 F4 N4 O12 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","0.71073","MoKα","","0.083","0.059","","","0.1356","0.153","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519422","7.2161","0.0003","7.3574","0.0003","9.1736","0.0004","86.045","0.0012","76.993","0.0012","78.266","0.0012","464.49","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 F N O4 S -","- C8 H8 F N O4 S -","- C16 H16 F2 N2 O8 S2 -","2","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0299","0.029","","","0.0745","0.0753","","","","","","1.049","","","","has coordinates","138472","2020-10-21","18:00:00",""
"1519423","9.4882","0.0018","10.3774","0.0019","15.575","0.003","90","","107.509","0.006","90","","1462.5","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","Kim, Jinhee; Sim, Mikyung; Kim, Namhoon; Hong, Sungwoo","Asymmetric C‒H functionalization of cyclopropanes using an isoleucine-NH2bidentate directing group","Chem. Sci.","2015","6","6","3611","","10.1039/C5SC01137J","","","0.71073","MoKα","","0.1687","0.1445","","","0.3846","0.3965","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519424","12.1843","0.0002","13.6819","0.0003","22.5624","0.0016","90","","99.683","0.007","90","","3707.7","0.3","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cu N4 O4.5 -","- C19 H21 Cu N4 O4.5 -","- C152 H168 Cu8 N32 O36 -","8","2","","Moore, Cameron M.; Szymczak, Nathaniel K.","Nitrite reduction by copper through ligand-mediated proton and electron transfer","Chem. Sci.","2015","6","6","3373","","10.1039/C5SC00720H","","","1.54178","CuKα","","0.0518","0.0472","","","0.1457","0.1499","","","","","","1.162","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1519425","14.1161","0.0003","15.8051","0.0011","14.538","0.0003","90","","90","","90","","3243.5","0.2","85","2","85","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cu2 N8 O6 -","- C36 H34 Cu2 N8 O6 -","- C144 H136 Cu8 N32 O24 -","4","0.5","","Moore, Cameron M.; Szymczak, Nathaniel K.","Nitrite reduction by copper through ligand-mediated proton and electron transfer","Chem. Sci.","2015","6","6","3373","","10.1039/C5SC00720H","","","1.54178","CuKα","","0.0328","0.0327","","","0.0833","0.0834","","","","","","1.152","","","","has coordinates","138476","2020-10-21","18:00:00",""
"1519426","8.7727","0.0011","16.781","0.002","18.22","0.002","90","","91.317","0.005","90","","2681.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 B Cl2 N2 -","- C26 H44 B Cl2 N2 -","- C104 H176 B4 Cl8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0513","0.04","","","0.0986","0.1066","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519427","8.4091","0.0017","23.915","0.005","13.429","0.003","90","","91.008","0.007","90","","2700.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 B Cl2 N2 -","- C22 H39 B Cl2 N2 -","- C88 H156 B4 Cl8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0963","0.0662","","","0.2268","0.2453","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519428","7.1189","0.0006","15.9168","0.0014","15.0043","0.0012","90","","91.677","0.003","90","","1699.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 B Br2 N2 -","- C13 H28 B Br2 N2 -","- C52 H112 B4 Br8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0234","0.0216","","","0.057","0.0578","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519429","8.8938","0.0017","9.258","0.002","15.064","0.003","73.468","0.012","79.717","0.009","77.485","0.008","1151.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H41 B N2 -","- C23 H41 B N2 -","- C46 H82 B2 N4 -","2","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0861","0.0549","","","0.1291","0.1422","","","","","","1.026","","","","has coordinates,has disorder","138477","2020-10-21","18:00:00",""
"1519430","17.37","0.0009","29.0684","0.0013","8.8805","0.0004","90","","94.498","0.004","90","","4470.1","0.4","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylaniline-N-naphthalimide","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C240 H192 N24 O24 -","12","1.5","","He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich","Polymorph crystal packing effects on charge transfer emission in the solid state","Chem. Sci.","2015","6","6","3525","","10.1039/C5SC01151E","","","0.71073","MoKα","","0.0653","0.0429","","","0.1098","0.1247","","","","","","1.029","","","","has coordinates","138478","2020-10-21","18:00:00",""
"1519431","9.4336","0.0008","9.5749","0.0008","9.9183","0.0009","115.803","0.009","97.324","0.007","104.839","0.007","749.69","0.14","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","N,N-dimethylaniline-N-naphthalimide","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","1","","He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich","Polymorph crystal packing effects on charge transfer emission in the solid state","Chem. Sci.","2015","6","6","3525","","10.1039/C5SC01151E","","","0.71073","MoKα","","0.06","0.0449","","","0.1109","0.1255","","","","","","1.029","","","","has coordinates","138478","2020-10-21","18:00:00",""
"1519432","21.4479","0.0014","30.381","0.002","34.189","0.002","90","","97.46","0.003","90","","22089","2","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C394 H336 Cl20 N62 O76 Zn10 -","- C394 H336 Cl16 N62 O60 Zn10 -","- C788 H672 Cl32 N124 O120 Zn20 -","2","0.5","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","0.6889","synchrotron","","0.1382","0.0998","","","0.2657","0.295","","","","","","1.05","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1519433","34.5284","0.0004","34.5284","0.0004","34.5284","0.0004","90","","90","","90","","41165.1","0.8","120","2","120","2","","","","","","","","7","F 41 3 2","F 4d 2 3","210","","","","- C156 H132 B6 Br4 Co5 F24 N24 -","- C156 H132 Br4 Co5 N24 -","- C1248 H1056 Br32 Co40 N192 -","8","0.0833333","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","1.5418","CuKα","","0.0788","0.0693","","","0.1854","0.194","","","","","","1.022","","","","has coordinates","138479","2020-10-21","18:00:00",""
"1519434","43.7451","0.0007","25.115","0.0004","39.7763","0.001","90","","100.245","0.002","90","","43003.8","1.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C156 H132 Co4 F48 N24 P4.96 Sb3.04 -","- C156 H132 Co4 F47.997 N24 P4.958 Sb3.042 -","- C1248 H1056 Co32 F383.976 N192 P39.664 Sb24.336 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","1.5418","CuKα","","0.115","0.1016","","","0.2879","0.3025","","","","","","1.103","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1519435","21.4814","0.0019","30.514","0.002","34.022","0.003","90","","97.399","0.004","90","","22115","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C390 H330 Br Cl19 N60 O76 Zn10 -","- C390 H330 Br1.004 Cl15 N60 O60 Zn10 -","- C780 H660 Br2.008 Cl30 N120 O120 Zn20 -","2","0.5","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","0.6889","synchrotron","","0.1667","0.1249","","","0.3228","0.3585","","","","","","1.074","","","","has coordinates,has disorder","138479","2020-10-21","18:00:00",""
"1519436","7.792","0.003","8.315","0.003","16.462","0.006","97.337","0.005","96.252","0.005","90.184","0.004","1051.4","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 Br4 Cl4 N2 Pb -","- C8 H20 Br4 Cl4 N2 Pb -","- C16 H40 Br8 Cl8 N4 Pb2 -","2","1","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.6888","","","0.0523","0.0404","","","0.1014","0.1076","","","","","","1.027","","","","has coordinates","143354","2020-10-21","18:00:00",""
"1519437","5.4158","0.0007","5.4438","0.0007","35.809","0.004","90","","93.3655","0.0017","90","","1053.9","0.2","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Br4 Cl4 N2 Pb -","- C8 H20 Br4 Cl4 N2 Pb -","- C16 H40 Br8 Cl8 N4 Pb2 -","2","0.5","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.6888","","","0.0537","0.0533","","","0.1351","0.1354","","","","","","1.214","","","","has coordinates,has disorder","143354","2020-10-21","18:00:00",""
"1519438","7.9735","0.0009","8.3877","0.001","16.775","0.002","95.611","0.004","95.889","0.004","90.377","0.003","1110.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","DS157","","","- C8 H20 Br8 N2 Pb -","- C8 H20 Br8 N2 Pb -","- C16 H40 Br16 N4 Pb2 -","2","1","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.71073","","","0.0593","0.0401","","","0.1027","0.1119","","","","","","1.051","","","","has coordinates","143354","2020-10-21","18:00:00",""
"1519439","9.1167","0.0001","7.9295","0.0001","11.3854","0.0008","90","","105.727","0.007","90","","792.25","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 F3 N S -","- C17 H18 F3 N S -","- C34 H36 F6 N2 S2 -","2","1","","Chen, Jiean; Meng, Sixuan; Wang, Leming; Tang, Hongmei; Huang, Yong","Highly enantioselective sulfa-Michael addition reactions using N-heterocyclic carbene as a non-covalent organocatalyst","Chem. Sci.","2015","6","7","4184","","10.1039/C5SC00878F","","","1.54187","CuKα","","0.0501","0.0436","","","0.1147","0.1223","","","","","","1.11","","","","has coordinates","143356","2020-10-21","18:00:00",""
"1519440","8.7857","0.0006","16.2342","0.0007","17.0357","0.001","90","","90","","90","","2429.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Br O4 -","- C28 H27 Br O4 -","- C112 H108 Br4 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.71073","MoKα","","0.0456","0.0345","","","0.0694","0.0727","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519441","22.183","0.011","7.95","0.003","15.744","0.008","90","","122.929","0.005","90","","2330.5","1.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C112 H112 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.7107","MoKα","","0.0497","0.0373","","","0.0947","0.1022","","","","","","1.053","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1519442","16.4315","0.0012","18.87","0.0014","30.286","0.002","90","","90","","90","","9390.5","1.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C272 H348 Cl20 Cu20 N64 O192 P8 -","4","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","1.54178","CuKα","","0.0318","0.0291","","","0.071","0.0723","","","","","","1.025","","","","has coordinates","143364","2020-10-21","18:00:00",""
"1519443","17.821","0.002","49.945","0.005","18.529","0.002","90","","108.269","0.006","90","","15661","3","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C219 H238.34 Cu15 F45 N48 O117.67 P6 S15 -","- C219 H207 Cu15 F45 N48 O117.666 P6 S15 -","- C438 H414 Cu30 F90 N96 O235.332 P12 S30 -","2","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","0.71073","MoKα","","0.0621","0.0514","","","0.1454","0.1564","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519634","35.1081","0.0009","14.6516","0.0002","31.3279","0.0008","90","","101.649","0.002","90","","15782.8","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C63.2 H72.55 I6 N13.06 Zn3 -","- C63.197 H72.553 I6 N13.062 Zn3 -","- C505.576 H580.424 I48 N104.496 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0829","0.058","","","0.1602","0.1852","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519635","35.2721","0.0009","14.6427","0.0002","31.6037","0.0009","90","","102.029","0.002","90","","15964.2","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.26 H61.53 I6 N14 Zn3 -","- C60.2635 H61.526 I6 N14 Zn3 -","- C482.108 H492.208 I48 N112 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0899","0.0651","","","0.1864","0.2139","","","","","","1.019","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519636","34.8299","0.0007","14.9133","0.0002","31.5387","0.0006","90","","102.403","0.002","90","","15999.8","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H64 I12.04 N24 S0.5 Zn6 -","- C84.5 H64 I12.036 N24 S0.5 Zn6 -","- C338 H256 I48.144 N96 S2 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0754","0.0598","","","0.1854","0.2036","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519637","34.4391","0.0011","15.0959","0.0003","29.9556","0.001","90","","101.454","0.003","90","","15263.4","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C87.64 H68.04 I12 N24 S0.62 Zn6 -","- C87.61 H68.024 I12 N24 S0.622 Zn6 -","- C350.44 H272.096 I48 N96 S2.488 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.1034","0.0749","","","0.2307","0.2612","","","","","","1.036","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519638","34.2","0.003","15.1265","0.0013","31.003","0.003","90","","102.385","0.001","90","","15665","2","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C342.4 H253.2 I48 N96 O6.8 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1378","0.0978","","","0.2817","0.3129","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519639","34.627","0.004","15.0818","0.0016","31.194","0.003","90","","102.792","0.001","90","","15886","3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C86.95 H64.82 I12 N24 O1.87 Zn6 -","- C86.9504 H64.8192 I12 N24 O1.8688 Zn6 -","- C347.802 H259.277 I48 N96 O7.4752 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1088","0.0745","","","0.224","0.2548","","","","","","1.048","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519640","10.6728","0.0003","15.0865","0.0004","21.8147","0.0006","90","","93.643","0.003","90","","3505.4","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","sodium 1,4,2-diazaphospholidine-3,5-dionide","","- C34 H50 N2 Na O4 P -","- C34 H50 N2 Na O4 P -","- C136 H200 N8 Na4 O16 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","0.71073","MoKα","","0.1386","0.0747","","","0.1273","0.1523","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519641","19.3693","0.0013","14.6742","0.001","21.9183","0.0017","90","","111.339","0.002","90","","5802.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N4 Na O5 P -","- C24 H44 N4 Na O5 P -","- C192 H352 N32 Na8 O40 P8 -","8","2","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","0.71073","MoKα","","0.0783","0.0503","","","0.1097","0.1234","","","","","","1.027","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1519642","10.4709","0.0003","17.4983","0.0005","18.6976","0.0005","90","","90","","90","","3425.83","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 N4 Na O6 P -","- C32 H54 N4 Na O6 P -","- C128 H216 N16 Na4 O24 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","CuKα","","0.046","0.0409","","","0.0926","0.1001","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519643","10.7457","0.0002","17.6496","0.0003","21.5074","0.0003","90","","99.87","0.001","90","","4018.66","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(18-crown-6)][PC2O2(NDipp)2]","","- C38 H58 K N2 O8 P -","- C38 H58 K N2 O8 P -","- C152 H232 K4 N8 O32 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","CuKα","","0.0663","0.0627","","","0.1822","0.1859","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519644","13.233","0.0003","19.9093","0.0004","13.5733","0.0003","90","","115.271","0.003","90","","3233.79","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(18-crown-6)][P{(CO)2[N(Dipp)]2}2]","","- C64 H92 K N4 O10 P -","- C64 H92 K N4 O10 P -","- C128 H184 K2 N8 O20 P2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","","","0.055","0.0458","","","0.1096","0.1168","","","","","","1.025","","","","has coordinates,has disorder","143342","2020-10-21","18:00:00",""
"1519645","11.0343","0.0003","12.2286","0.0003","17.5339","0.0005","77.103","0.005","85.701","0.006","69.694","0.005","2162.9","0.13","20","2","20.15","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.35312","","","0.0593","0.0445","","","0.117","0.1299","","","","","","0.949","","","","has coordinates","153086","2020-10-21","18:00:00",""
"1519646","11.0141","0.0005","12.2286","0.0005","17.5325","0.0007","77.161","0.004","85.753","0.003","69.723","0.004","2159.67","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.71073","MoKα","","0.041","0.0359","","","0.0809","0.0842","","","","","","1.037","","","","has coordinates","153086","2020-10-21","18:00:00",""
"1519647","11.087","0.0007","12.2243","0.0009","18.3363","0.0013","79.664","0.003","85.44","0.003","68.727","0.002","2277.9","0.3","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.71073","MoKα","","0.0414","0.0362","","","0.092","0.0961","","","","","","1.196","","","","has coordinates","153086","2020-10-21","18:00:00",""
"1519705","16.2343","0.0006","15.9423","0.0006","20.8753","0.0008","90","","94.704","0.0014","90","","5384.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 I4 O P8 Pd4 -","- C104 H154 I4 O P8 Pd4 -","- C208 H308 I8 O2 P16 Pd8 -","2","0.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0314","0.0257","","","0.0662","0.0733","","","","","","1.113","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519706","12.5686","0.0012","13.9781","0.0013","14.9939","0.0014","90","","97.33","0.0018","90","","2612.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br P2 Pd -","- C25 H36 Br P2 Pd -","- C100 H144 Br4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0375","0.0258","","","0.0542","0.0569","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519707","11.2438","0.0008","13.7677","0.001","17.4246","0.0012","90","","106.978","0.0012","90","","2579.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br P2 Pd -","- C25 H37 Br P2 Pd -","- C100 H148 Br4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0463","0.0348","","","0.0742","0.0776","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519708","11.6639","0.0011","13.5934","0.0013","16.568","0.0016","90","","105.116","0.0014","90","","2536","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl P2 Pd -","- C25 H36 Cl P2 Pd -","- C100 H144 Cl4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0298","0.024","","","0.0523","0.0541","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519709","10.3086","0.0007","24.0617","0.0016","12.5709","0.0008","90","","107.577","0.0018","90","","2972.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 P3 Pd -","- C29 H47 P3 Pd -","- C116 H188 P12 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0257","0.022","","","0.0495","0.0512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519710","13.0569","0.0014","16.808","0.0014","31.261","0.003","90","","93.209","0.002","90","","6849.8","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cl2 P2 Pd -","- C26 H40 Cl2 P2 Pd -","- C208 H320 Cl16 P16 Pd8 -","8","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0457","0.0372","","","0.0751","0.0779","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519711","11.2685","0.0008","20.7303","0.0014","23.1605","0.0016","90","","99.234","0.0013","90","","5340.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl P2 Pd -","- C26 H39 Cl P2 Pd -","- C208 H312 Cl8 P16 Pd8 -","8","2","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0557","0.0419","","","0.0827","0.0867","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519712","29.176","0.006","12.515","0.002","22.247","0.004","90","","105.315","0.004","90","","7835","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 I P2 Pd -","- C25 H37 I P2 Pd -","- C300 H444 I12 P24 Pd12 -","12","1.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0519","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519713","10.3876","0.0009","16.2993","0.0014","17.0895","0.0015","90","","103.477","0.0014","90","","2813.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Br4 Cl2 P4 Pd2 -","- C51 H78 Br4 Cl2 P4 Pd2 -","- C102 H156 Br8 Cl4 P8 Pd4 -","2","0.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0239","0.0185","","","0.0423","0.0435","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519714","12.741","0.0012","16.6787","0.0016","20.596","0.002","102.918","0.002","90.565","0.002","106.517","0.002","4077.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H33 D6 N O5 -","- C56 H33 D6 N O5 -","- C224 H132 D24 N4 O20 -","4","2","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.1079","0.0504","","","0.0824","0.0971","","","","","","0.867","","","","has coordinates","143352","2020-10-21","18:00:00",""
"1519715","8.0214","0.0014","18.267","0.003","21.084","0.004","90","","90","","90","","3089.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 N O4 -","- C42 H29 N O4 -","- C168 H116 N4 O16 -","4","1","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.0573","0.034","","","0.0364","0.0403","","","","","","0.804","","","","has coordinates","143352","2020-10-21","18:00:00",""
"1519716","9.7344","0.0015","12.477","0.002","16.268","0.003","91.644","0.003","99.097","0.003","94.093","0.003","1944.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H36 N O4 -","- C54 H36 N O4 -","- C108 H72 N2 O8 -","2","1","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.0503","0.0419","","","0.1107","0.1157","","","","","","1.069","","","","has coordinates,has disorder","143352","2020-10-21","18:00:00",""
"1519717","13.1832","0.0015","16.891","0.002","20.072","0.003","67.256","0.007","76.552","0.008","73.916","0.008","3920.8","0.9","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H76 B F24 P Ru S Si2 -","- C78 H76 B F24 P Ru S Si2 -","- C156 H152 B2 F48 P2 Ru2 S2 Si4 -","2","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0607","","","","0.1722","","","","","","1.077","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519718","13.56","0.003","27.705","0.004","18.609","0.004","90","","102.006","0.003","90","","6838","2","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 B F24 P Ru S Si -","- C66 H64 B F24 P Ru S Si -","- C264 H256 B4 F96 P4 Ru4 S4 Si4 -","4","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0835","","","","0.2803","","","","","","1.045","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519719","16.929","0.003","18.161","0.003","16.113","0.003","90","","97.045","0.004","90","","4916.5","1.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B F24 O P Si -","- C46 H38 B F24 O P Si -","- C184 H152 B4 F96 O4 P4 Si4 -","4","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0949","","","","0.3038","","","","","","1.096","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519720","16.2343","0.0006","15.9423","0.0006","20.8753","0.0008","90","","94.704","0.0014","90","","5384.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 I4 O P8 Pd4 -","- C104 H154 I4 O P8 Pd4 -","- C208 H308 I8 O2 P16 Pd8 -","2","0.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0314","0.0257","","","0.0662","0.0733","","","","","","1.113","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519721","12.5686","0.0012","13.9781","0.0013","14.9939","0.0014","90","","97.33","0.0018","90","","2612.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br P2 Pd -","- C25 H36 Br P2 Pd -","- C100 H144 Br4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0375","0.0258","","","0.0542","0.0569","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519722","11.2438","0.0008","13.7677","0.001","17.4246","0.0012","90","","106.978","0.0012","90","","2579.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br P2 Pd -","- C25 H37 Br P2 Pd -","- C100 H148 Br4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0463","0.0348","","","0.0742","0.0776","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519723","11.6639","0.0011","13.5934","0.0013","16.568","0.0016","90","","105.116","0.0014","90","","2536","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl P2 Pd -","- C25 H36 Cl P2 Pd -","- C100 H144 Cl4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0298","0.024","","","0.0523","0.0541","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519724","10.3086","0.0007","24.0617","0.0016","12.5709","0.0008","90","","107.577","0.0018","90","","2972.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 P3 Pd -","- C29 H47 P3 Pd -","- C116 H188 P12 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0257","0.022","","","0.0495","0.0512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519725","13.0569","0.0014","16.808","0.0014","31.261","0.003","90","","93.209","0.002","90","","6849.8","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cl2 P2 Pd -","- C26 H40 Cl2 P2 Pd -","- C208 H320 Cl16 P16 Pd8 -","8","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0457","0.0372","","","0.0751","0.0779","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519726","11.2685","0.0008","20.7303","0.0014","23.1605","0.0016","90","","99.234","0.0013","90","","5340.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl P2 Pd -","- C26 H39 Cl P2 Pd -","- C208 H312 Cl8 P16 Pd8 -","8","2","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0557","0.0419","","","0.0827","0.0867","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519727","29.176","0.006","12.515","0.002","22.247","0.004","90","","105.315","0.004","90","","7835","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 I P2 Pd -","- C25 H37 I P2 Pd -","- C300 H444 I12 P24 Pd12 -","12","1.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0519","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519728","10.3876","0.0009","16.2993","0.0014","17.0895","0.0015","90","","103.477","0.0014","90","","2813.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Br4 Cl2 P4 Pd2 -","- C51 H78 Br4 Cl2 P4 Pd2 -","- C102 H156 Br8 Cl4 P8 Pd4 -","2","0.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0239","0.0185","","","0.0423","0.0435","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519764","10.7542","0.0004","11.2346","0.0006","13.4066","0.0006","90","","90","","90","","1619.77","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Wang, Chao; Zhang, Li; Chen, Changpeng; Han, Jian; Yao, Yingming; Zhao, Yingsheng","Oxalyl amide assisted palladium-catalyzed synthesis of pyrrolidones via carbonylation of γ-C(sp3)‒H bonds of aliphatic amine substrates","Chem. Sci.","2015","6","8","4610","","10.1039/C5SC00519A","","","0.71073","MoKα","","0.0536","0.0407","","","0.0827","0.0885","","","","","","1.015","","","","has coordinates","153083","2020-10-21","18:00:00",""
"1519852","10.701","0.0002","27.6694","0.0005","11.1215","0.0003","90","","98.764","0.001","90","","3254.52","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3',6,6'-Tetra-tert-butyl-1,1',9,9'-bicarbazole","","- C40 H46 N2 -","- C40 H46 N2 -","- C160 H184 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.051","0.0413","","","0.108","0.1137","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519853","15.047","0.003","24.399","0.005","13.754","0.003","90","","108.9","0.03","90","","4777.3","1.9","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H51 I6 N2 -","- C46 H51 I6 N2 -","- C184 H204 I24 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.0544","0.035","","","0.0754","0.0824","","","","","","1.029","","","","has coordinates,has disorder","143350","2020-10-21","18:00:00",""
"1519854","13.312","0.003","18.813","0.004","15.401","0.004","90","","97.762","0.005","90","","3821.7","1.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetrabutyl-tetrahydro-tetramethylbiacridine","","- C46 H58 N2 -","- C46 H58 N2 -","- C184 H232 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.1403","0.0893","","","0.2123","0.2496","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519855","30.6695","0.0011","12.1512","0.0005","23.0584","0.0009","90","","119.572","0.0009","90","","7473.9","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tetracarbazole","","- C86 H108 N4 -","- C80 H94 N4 -","- C320 H376 N16 -","4","0.5","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71075","MoKα","","0.1039","0.0756","","","0.2126","0.2301","","","","","","1.425","","","","has coordinates","143350","2020-10-21","18:00:00",""
"1519925","24.5063","0.0004","24.5063","0.0004","24.5063","0.0004","90","","90","","90","","14717.5","0.4","99","2","99","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C80 H56 Co7 F18 N16 O18 Si -","- C80.04 H56.04 Co7 F18 N15.96 O18 Si -","- C320.16 H224.16 Co28 F72 N63.84 O72 Si4 -","4","0.166667","","Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J.","Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster","Chem. Sci.","2015","6","8","4784","","10.1039/C5SC01515D","","","1.54178","CuKα","","0.1276","0.099","","","0.2948","0.3245","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519926","10.6748","0.0004","11.9906","0.0005","19.6875","0.0008","101.316","0.002","101.953","0.0017","103.763","0.0017","2313.24","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C108 H124 Co2 N4 O8 -","2","1","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0434","0.0348","","","0.0871","0.0921","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519927","10.7956","0.0011","12.0991","0.0013","19.834","0.002","102.162","0.006","101.446","0.005","104.036","0.005","2370.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C108 H124 Co2 N4 O8 -","2","1","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0765","0.0422","","","0.1102","0.1315","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519928","9.8997","0.0009","10.812","0.001","12.1278","0.0011","104.002","0.005","102.27","0.005","101.408","0.005","1187.5","0.2","305","2","305","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","1","0.5","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0518","0.0354","","","0.0825","0.0917","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519929","16.5308","0.0006","11.7257","0.0004","18.9821","0.0007","90","","107.445","0.002","90","","3510.2","0.2","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H94 Co N2 O4 -","- C82 H94 Co N2 O4 -","- C164 H188 Co2 N4 O8 -","2","0.5","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0473","0.0394","","","0.0939","0.0998","","","","","","1.112","","","","has coordinates,has disorder","153080","2020-10-21","18:00:00",""
"1519930","10.9013","0.0002","12.0601","0.0002","25.222","0.0005","90","","90","","90","","3315.96","0.11","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","RSnH3","","","- C18 H26 Sn0.5 -","- C18 H26 Sn0.5 -","- C144 H208 Sn4 -","8","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.026","0.0208","","","0.0557","0.0584","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519931","12.7122","0.0005","15.3521","0.0006","22.5773","0.0009","84.881","0.002","89.932","0.002","82.556","0.002","4351.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H134 N2 Sn2 -","- C89 H134 N2 Sn2 -","- C178 H268 N4 Sn4 -","2","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.0672","0.0469","","","0.1159","0.1257","","","","","","1.051","","","","has coordinates,has disorder","153088","2020-10-21","18:00:00",""
"1519932","15.9849","0.0004","15.9056","0.0004","17.7408","0.0004","90","","100.754","0.001","90","","4431.37","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TripTpSnCpMe5","","","- C48.5 H70 Sn -","- C48.5 H70 Sn -","- C194 H280 Sn4 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.0448","0.0303","","","0.0705","0.0767","","","","","","1.011","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519944","29.3901","0.0007","13.5696","0.0004","21.1866","0.0006","90","","105.652","0.003","90","","8136.1","0.4","180.1","0.5","180.1","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H36 Cl2 F12 N2 O6 -","- C35 H36 Cl2 F12 N2 O6 -","- C280 H288 Cl16 F96 N16 O48 -","8","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.5418","CuKα","","0.0968","0.0848","","","0.2596","0.2851","","","","","","1.092","","","","has coordinates,has disorder","153070","2020-10-21","18:00:00",""
"1519945","10.4318","0.00015","18.5656","0.0003","17.6555","0.0003","90","","90.817","0.0013","90","","3419.04","0.09","180","2","180.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N4 O9 -","- C33 H42 N4 O9 -","- C132 H168 N16 O36 -","4","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.54184","CuKα","","0.0426","0.0377","","","0.1295","0.137","","","","","","1.106","","","","has coordinates,has disorder","153070","2020-10-21","18:00:00",""
"1519946","11.9175","0.0004","19.021","0.0005","17.226","0.0006","90","","108.787","0.004","90","","3696.8","0.2","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 F12 N2 O9 -","- C32 H32 F12 N2 O9 -","- C128 H128 F48 N8 O36 -","4","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","0.7107","MoKα","","0.0679","0.0505","","","0.1211","0.133","","","","","","1.022","","","","has coordinates,has disorder","153070","2020-10-21","18:00:00",""
"1519947","9.5715","0.0003","18.5858","0.0004","23.8686","0.0008","67.485","0.003","81.597","0.003","88.411","0.002","3878.5","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Cl2 N4 O4 -","- C45 H38 Cl2 N4 O4 -","- C180 H152 Cl8 N16 O16 -","4","2","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.54184","CuKα","","0.071","0.054","","","0.1355","0.1496","","","","","","1.011","","","","has coordinates","153070","2020-10-21","18:00:00",""
"1520035","14.2177","0.0003","22.9278","0.0005","14.5428","0.0004","90","","105.118","0.002","90","","4576.6","0.19","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Cl6 Cr Fe Mn N6 O14 -","- C38 H34 Cl6 Cr Fe Mn N6 O14 -","- C152 H136 Cl24 Cr4 Fe4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0629","0.0441","","","0.106","0.1197","","","","","","1.062","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520036","14.1914","0.0005","23.0061","0.0007","14.788","0.0005","90","","104.703","0.003","90","","4670","0.3","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br6 Cr Fe Mn N6 O14 -","- C38 H34 Br6 Cr Fe Mn N6 O14 -","- C152 H136 Br24 Cr4 Fe4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0798","0.0616","","","0.1635","0.1765","","","","","","1.082","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520037","14.1613","0.0004","23.0839","0.0006","14.8676","0.0005","90","","104.296","0.003","90","","4709.7","0.2","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br6 Cr Ga Mn N6 O14 -","- C38 H34 Br6 Cr Ga Mn N6 O14 -","- C152 H136 Br24 Cr4 Ga4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0966","0.0543","","","0.1201","0.1394","","","","","","1.003","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520038","9.7172","0.0019","11.762","0.002","19.84","0.004","90","","99.84","0.03","90","","2234.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.0831","0.0475","","","0.119","0.1482","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520039","9.591","0.0015","14.916","0.002","15.744","0.003","90","","91.79","0.002","90","","2251.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1181","0.0691","","","0.1944","0.2363","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520040","10.6774","0.0005","10.7451","0.0007","12.3472","0.0007","107.453","0.006","103.856","0.005","103.585","0.005","1238.02","0.15","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C52 H44 Br4 N4 O8 -","2","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","x-ray","1.5418","CuKα","","0.0597","0.0539","","","0.1513","0.1591","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520041","12.571","0.003","13.241","0.003","15.845","0.003","87.14","0.03","76.74","0.03","74.96","0.03","2479.1","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C104 H88 Br8 N8 O16 -","4","2","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1918","0.1112","","","0.2164","0.2485","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520042","11.755","0.003","20.78","0.005","21.031","0.005","90","","90","","90","","5137","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C208 H176 Br16 N16 O32 -","8","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1609","0.0552","","","0.1063","0.1446","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520043","13.5422","0.0013","19.675","0.0019","10.2805","0.001","90","","100.796","0.003","90","","2690.7","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diBr res 190","4-pyridylazophenyl 4,6-dibromo-1,3-benzenediol","","- C28 H22 Br2 N6 O2 -","- C28 H22 Br2 N6 O2 -","- C112 H88 Br8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0359","0.0236","","","0.0491","0.0529","","","","","","1.015","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520044","14.5095","0.0015","20.268","0.002","9.5541","0.001","90","","97.192","0.005","90","","2787.6","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diBr res 290","4-pyridylazophenyl 4,6-dibromo-1,3-benzenediol","","- C28 H22 Br2 N6 O2 -","- C28 H22 Br2 N6 O2 -","- C112 H88 Br8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0956","0.0369","","","0.0742","0.0893","","","","","","0.991","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520045","15.6181","0.0016","15.7722","0.0016","10.6301","0.0011","90","","95.137","0.005","90","","2608","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 170","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0649","0.0423","","","0.0967","0.108","","","","","","1.033","","","","has coordinates","171452","2020-10-21","18:00:00",""
"1520046","15.6347","0.0016","15.989","0.0016","10.646","0.0011","90","","95.252","0.005","90","","2650.1","0.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 250","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0956","0.0511","","","0.1063","0.1232","","","","","","1.071","","","","has coordinates","171452","2020-10-21","18:00:00",""
"1520047","14.4187","0.0014","19.4064","0.0019","9.7692","0.0009","90","","95.552","0.005","90","","2720.7","0.5","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 270","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0779","0.0404","","","0.0921","0.1152","","","","","","1.032","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520048","14.4","0.006","19.51","0.008","9.757","0.004","90","","95.784","0.015","90","","2727.2","1.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 290","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.094","0.0446","","","0.1128","0.1384","","","","","","1.009","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520049","8.982","0.0009","12.5271","0.0013","26.146","0.003","84.5","0.005","89.331","0.005","74.563","0.005","2822.4","0.5","190","2","190","2","","","","","","","","5","P -1","-P 1","2","4PAzP.4,6-diI res 190","4-pyridylazophenyl 4,6-diiodo-1,3-benzenediol","","- C28 H22 I2 N6 O2 -","- C28 H22 I2 N6 O2 -","- C112 H88 I8 N24 O8 -","4","2","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0405","0.0293","","","0.0551","0.0597","","","","","","1.119","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520050","9.048","0.0009","12.5933","0.0013","26.305","0.003","83.815","0.005","89.271","0.005","75.005","0.005","2878","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","4PAzP.4,6-diI res 290","4-pyridylazophenyl 4,6-diiodo-1,3-benzenediol","","- C28 H22 I2 N6 O2 -","- C28 H22 I2 N6 O2 -","- C112 H88 I8 N24 O8 -","4","2","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0703","0.0324","","","0.0684","0.0812","","","","","","1.011","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520051","5.9077","0.0007","7.4479","0.0009","21.752","0.003","90","","90","","90","","957.1","0.2","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 170","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.0923","0.0496","","","0.1091","0.1285","","","","","","1.04","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520052","5.911","0.009","7.496","0.011","21.82","0.03","90","","90","","90","","967","2","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 290","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.1081","0.0549","","","0.121","0.1439","","","","","","1.002","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520069","10.9222","0.0005","11.7618","0.0005","17.7375","0.0008","90","","90","","90","","2278.64","0.18","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","wb11aug14",": (iPrPNMeP)FeCl2","","- C17 H39 Cl2 Fe N P2 -","- C17 H39 Cl2 Fe N P2 -","- C68 H156 Cl8 Fe4 N4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0204","0.0185","","","0.0442","0.045","","","","","","1.004","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520070","31.925","0.003","7.968","0.0008","21.06","0.002","90","","121.335","0.003","90","","4575.8","0.8","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","wb13aug14","(iPrPNMeP)Fe(H)BH4","","- C17 H44 B Fe N P2 -","- C17 H44 B Fe N P2 -","- C136 H352 B8 Fe8 N8 P16 -","8","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0996","0.0718","","","0.1767","0.1962","","","","","","0.997","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520071","8.4128","0.0006","31.269","0.002","9.8709","0.0009","90","","114.779","0.002","90","","2357.6","0.3","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wb10dec14","3a","","- C18 H44 B Fe N O P2 -","- C18 H44 B Fe N O P2 -","- C72 H176 B4 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0309","0.0279","","","0.0704","0.0718","","","","","","1.082","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520072","8.0283","0.0008","12.8902","0.0012","21.842","0.002","90","","98.351","0.007","90","","2236.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4a1","","- C18 H41 Fe N O P2 -","- C18 H41 Fe N O P2 -","- C72 H164 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71075","MoKα","","0.0693","0.0496","","","0.0952","0.1011","","","","","","1.112","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520073","11.5836","0.0004","15.4917","0.0005","13.1032","0.0005","90","","110.887","0.001","90","","2196.85","0.13","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wb11feb15","4a2","","- C18 H41 Fe N O P2 -","- C18 H41 Fe N O P2 -","- C72 H164 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0462","0.0343","","","0.122","0.1352","","","","","","1.076","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520074","11.736","0.003","11.736","0.003","16.678","0.005","90","","90","","90","","2297.1","1.1","183","2","183","2","","","","","","","","6","P 41","P 4w","76","wb12feb15_2","5a","","- C19 H41 Fe N O3 P2 -","- C19 H41 Fe N O3 P2 -","- C76 H164 Fe4 N4 O12 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.2182","0.0883","","","0.1222","0.1515","","","","","","1.014","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520075","15.4197","0.0008","12.0975","0.0006","16.0962","0.0008","90","","114.498","0.001","90","","2732.3","0.2","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wb06nov14","CO2-1a","","- C23 H49 Fe N O3 P2 -","- C23 H49 Fe N O3 P2 -","- C92 H196 Fe4 N4 O12 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0509","0.0401","","","0.1021","0.1092","","","","","","0.979","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520213","10.283","0.002","10.474","0.002","20.857","0.004","95.09","0.03","94.25","0.03","96.25","0.03","2216.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N12 O2 Zn4 -","- C46 H40 N12 O2 Zn4 -","- C92 H80 N24 O4 Zn8 -","2","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.1253","0.1133","","","0.2773","0.2831","","","","","","1.121","","","","has coordinates,has disorder","153071","2020-10-21","18:00:00",""
"1520214","10.828","0.005","13.677","0.005","14.95","0.007","90.64","0.02","106.555","0.018","95.534","0.017","2110.6","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B9 Cu N2 O P2 -","- C42 H48 B9 Cu N2 O P2 -","- C84 H96 B18 Cu2 N4 O2 P4 -","2","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.0336","0.0333","","","0.092","0.0923","","","","","","1.058","","","","has coordinates","153071","2020-10-21","18:00:00",""
"1520215","15.5324","0.0006","15.5957","0.0006","20.6244","0.0009","90","","98.789","0.0018","90","","4937.4","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 B9 Cl2 Cu N2 P2 -","- C53 H52 B9 Cl2 Cu N2 P2 -","- C212 H208 B36 Cl8 Cu4 N8 P8 -","4","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.067","0.0603","","","0.1666","0.172","","","","","","1.103","","","","has coordinates","153071","2020-10-21","18:00:00",""
"1520226","6.4782","0.0013","9.5193","0.0019","14.311","0.003","90","","90","","90","","882.5","0.3","153","2","153","2","","","","","","","","4","P m n a","-P 2ac 2","53","dimethyl melamine hydrochloride","Mela-DM?HCl","","- C5 H11 Cl N6 -","- C5 H11 Cl N6 -","- C20 H44 Cl4 N24 -","4","0.5","","Xu, Jun; Yu, Hongde; Yang, Liulin; Wu, Guanglu; Wang, Zhiqiang; Wang, Dong; Zhang, Xi","Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell-tunable method","Chem. Sci.","2015","6","8","4907","","10.1039/C5SC01631B","","","0.71073","MoKα","","0.0476","0.0355","","","0.092","0.1214","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520227","18.4232","0.0006","13.0618","0.0004","25.9802","0.0008","90","","99.53","0.001","90","","6165.6","0.3","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H55 B F24 Fe N P3 -","- C58 H55 B F24 Fe N P3 -","- C232 H220 B4 F96 Fe4 N4 P12 -","4","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.078","0.0476","","","0.1109","0.1273","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520228","19.963","0.005","17.492","0.006","19.586","0.006","90","","93.869","0.014","90","","6824","4","203","2","203","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C61 H60 B F24 Fe N O P3 -","- C61 H60 B F24 Fe N O P3 -","- C244 H240 B4 F96 Fe4 N4 O4 P12 -","4","0.5","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0899","0.0681","","","0.1825","0.1923","","","","","","1.155","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520229","19.6517","0.0007","12.5655","0.0004","25.3645","0.0007","90","","109.745","0.001","90","","5895.1","0.3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 B F24 Fe N2 P2 -","- C58 H45 B F24 Fe N2 P2 -","- C232 H180 B4 F96 Fe4 N8 P8 -","4","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0958","0.0576","","","0.1512","0.1782","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520230","10.2138","0.0008","10.6014","0.0008","12.4208","0.001","88.674","0.004","67.062","0.003","89.687","0.004","1238.24","0.17","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Fe N2 P2 -","- C26 H32 Fe N2 P2 -","- C52 H64 Fe2 N4 P4 -","2","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0663","0.0579","","","0.1692","0.1766","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520452","3.9114","0.0004","20.5945","0.0006","22.458","0.001","90","","91.758","0.006","90","","1808.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N4 O -","- C24 H17 N4 O -","- C96 H68 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0414","0.0378","","","0.0974","0.1009","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520453","11.7763","0.0013","5.828","0.0003","16.1543","0.0009","90","","104.773","0.006","90","","1072.06","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H19 N4 O -","- C28 H19 N4 O -","- C56 H38 N8 O2 -","2","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0741","0.0576","","","0.1505","0.1681","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520454","7.474","0.0008","9.2641","0.0005","35.865","0.0018","90","","91.227","0.005","90","","2482.7","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O -","- C32 H26 N4 O -","- C128 H104 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0559","0.0418","","","0.0967","0.1051","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520455","11.2158","0.0003","10.0647","0.0003","24.8459","0.0006","90","","97.414","0.002","90","","2781.25","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O -","- C36 H28 N4 O -","- C144 H112 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.051","0.0472","","","0.1397","0.145","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520456","9.1964","0.001","13.4028","0.0016","15.611","0.0017","90","","90","","90","","1924.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br F3 N O2 -","- C21 H17 Br F3 N O2 -","- C84 H68 Br4 F12 N4 O8 -","4","1","","Zhang, Xiao; Liu, Wen-Bo; Tu, Hang-Fei; You, Shu-Li","Ligand-enabled Ir-catalyzed intermolecular diastereoselective and enantioselective allylic alkylation of 3-substituted indoles","Chem. Sci.","2015","6","8","4525","","10.1039/C5SC01772F","","","0.71073","MoKα","","0.0963","0.0419","","","0.0797","0.0953","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520493","11.0341","0.0004","12.5779","0.0004","13.0044","0.0005","82.865","0.002","88.796","0.002","66.687","0.002","1643.85","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj274","","","- C30 H26 Co F6 N6 O7 S2 -","- C30 H26 Co F6 N6 O7 S2 -","- C60 H52 Co2 F12 N12 O14 S4 -","2","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0523","0.0373","","","0.0761","0.0832","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520494","13.0156","0.0007","12.7488","0.0007","22.3963","0.0012","90","","92.294","0.001","90","","3713.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jwj284","","","- C29 H35 F6 N7 O12 S2 Zn -","- C29 H35 F6 N7 O12 S2 Zn -","- C116 H140 F24 N28 O48 S8 Zn4 -","4","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0417","0.04","","","0.1066","0.1081","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520495","12.4657","0.0011","15.6171","0.0014","21.316","0.0019","90","","91.047","0.001","90","","4149.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jwj273","","","- C36 H42 Co F6 N6 O11 S2 -","- C36 H42 Co F6 N6 O11 S2 -","- C144 H168 Co4 F24 N24 O44 S8 -","4","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0307","0.0288","","","0.0723","0.0737","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520496","14.707","0.003","21.388","0.004","25.657","0.005","67.683","0.003","75.282","0.003","89.683","0.003","7184","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj278","","","- C30 H30 F6 N6 O11 S2 Zn -","- C30 H30 F6 N6 O11 S2 Zn -","- C240 H240 F48 N48 O88 S16 Zn8 -","8","4","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0954","0.0603","","","0.1791","0.2152","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520497","11.0677","0.0005","13.3087","0.0006","13.5558","0.0006","71.591","0.001","78.668","0.001","67.235","0.001","1740.65","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj279","","","- C30 H32.5 F6 N6 O10 S2 Zn -","- C30 H32.5 F6 N6 O10 S2 Zn -","- C60 H65 F12 N12 O20 S4 Zn2 -","2","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0408","0.0341","","","0.0814","0.0856","","","","","","1.054","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520498","13.2461","0.0004","20.9848","0.0006","26.9609","0.0008","111.361","0.001","96.713","0.001","94.455","0.001","6872.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj280","","","- C29 H27.5 Co F6 N7 O9.25 S2 -","- C29 H27.5 Co F6 N7 O9.25 S2 -","- C232 H220 Co8 F48 N56 O74 S16 -","8","4","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0741","0.0579","","","0.1369","0.1488","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520524","21.3561","0.0004","19.4016","0.0003","14.9635","0.0002","90","","90","","90","","6200.01","0.17","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C53 H69 N6 O25 P2 Ru -","- C53 H56 N6 O25 P2 Ru -","- C212 H224 N24 O100 P8 Ru4 -","4","0.5","","Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.","Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design","Chem. Sci.","2015","6","10","5531","","10.1039/C5SC01439E","","","1.54178","CuKα","","0.0778","0.068","","","0.1842","0.1922","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520525","12.956","0.003","13.122","0.003","13.752","0.003","84.973","0.003","67.595","0.003","83.245","0.003","2144.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Co2 N2 O8 -","- C34 H20 Co2 N2 O8 -","- C68 H40 Co4 N4 O16 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0801","0.0534","","","0.127","0.1375","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520526","7.7116","0.0007","10.2889","0.001","11.0085","0.001","71.43","0.001","86.282","0.001","82.265","0.001","820.22","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Co N O4 -","- C17 H10 Co N O4 -","- C34 H20 Co2 N2 O8 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.072","0.0492","","","0.1217","0.1331","","","","","","1.062","","","","has coordinates,has disorder","153089","2020-10-21","18:00:00",""
"1520527","12.9698","0.0012","13.1304","0.0012","13.7579","0.0013","85.041","0.001","68.014","0.001","83.544","0.002","2156.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Co2 N2 O8 -","- C34.01 H20.008 Co2 N2.002 O8 -","- C68.02 H40.016 Co4 N4.004 O16 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0487","0.0391","","","0.0989","0.1023","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520528","7.6397","0.0012","10.4311","0.0017","10.9968","0.0018","71.121","0.012","87.061","0.012","83.361","0.012","823.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Co N O4 -","- C17 H10 Co N O4 -","- C34 H20 Co2 N2 O8 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.1276","0.0958","","","0.2632","0.2806","","","","","","1.087","","","","has coordinates,has disorder","153089","2020-10-21","18:00:00",""
"1520529","17.173","0.006","19.784","0.007","13.887","0.005","90","","95.771","0.004","90","","4694","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0938","0.0615","","","0.1659","0.184","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520530","17.0391","0.0008","20.0278","0.001","13.8334","0.0007","90","","96.243","0.003","90","","4692.7","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.1141","0.0588","","","0.1373","0.1654","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520535","24.1082","0.0009","18.137","0.0007","16.7624","0.0007","90","","106.002","0.004","90","","7045.4","0.5","150","1","150","1","","","","","","","University of Manchester","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 N4 S2 -","- C41 H46 N4 S2 -","- C328 H368 N32 S16 -","8","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","0.71073","MoKα","","0.0855","0.0613","","0.1513","0.1366","0.1513","","","","","","0.9999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520536","41.594","0.0009","41.594","0.0009","13.1413","0.0006","90","","90","","90","","22735.2","1.2","149.99","0.19","149.99","0.19","","","","","","","University of Manchester","5","I 41/a :2","-I 4ad","88","","","","- C65 H64 B2 N4 S2 -","- C65 H64 B2 N4 S2 -","- C1040 H1024 B32 N64 S32 -","16","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","0.7107","MoKα","","0.0778","0.06","","0.1619","0.152","0.1619","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520537","14.5445","0.0003","22.7136","0.0006","19.7133","0.0005","90","","98.039","0.002","90","","6448.4","0.3","100","","100","","","","","","","","University of Manchester","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H56 B2 F20 N4 O2 S2 -","- C71 H56 B2 F20 N4 O2 S2 -","- C284 H224 B8 F80 N16 O8 S8 -","4","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.0992","0.0724","","0.2067","0.1884","0.2067","","","","","","0.9865","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520538","6.3487","0.0006","16.1168","0.0015","19.3671","0.0017","74.649","0.008","85.857","0.008","83.373","0.008","1896.4","0.3","220","","220","","","","","","","","University of Manchester","5","P -1","-P 1","2","","","","- C42 H49 B N2 S3 -","- C42 H49 B N2 S3 -","- C84 H98 B2 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.1482","0.1185","","0.3498","0.3212","0.3498","","","","","","0.9336","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520539","6.524","0.0006","13.6675","0.0011","18.0034","0.0017","98.64","0.007","95.792","0.008","101.67","0.008","1539.9","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","6,6-dimethyl-8-octyl-3-(5-octylthiophen-2-yl)-6H-5,9-dithia-4,5al4-diaza-6l4-boracyclopenta[e]acenaphthylene","","- C32 H45 B N2 S3 -","- C32 H45 B N2 S3 -","- C64 H90 B2 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","x-ray","1.54184","CuKα","","0.1247","0.0868","","","0.2351","0.2689","","","","","","1.048","","","","has coordinates","171007","2020-10-21","18:00:00",""
"1520540","10.2773","0.0004","12.1331","0.0004","14.8059","0.0004","65.908","0.002","79.793","0.002","68.09","0.002","1563","0.1","250","","250","","","","","","","","University of Manchester","6","P -1","-P 1","2","","6,6-dibromo-8-octyl-3-(5-octylthiophen-2-yl)-6H-5,9-dithia-4,5al4-diaza-6l4-boracyclopenta[e]acenaphthylene","","- C30 H39 B Br2 N2 S3 -","- C30 H39 B Br2 N2 S3 -","- C60 H78 B2 Br4 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.0739","0.0662","","0.1739","0.1625","0.1734","","","","","","0.9579","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520543","8.3781","0.0002","14.3827","0.0002","19.3153","0.0003","90","","90","","90","","2327.49","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Au Br F3 P -","- C25 H20 Au Br F3 P -","- C100 H80 Au4 Br4 F12 P4 -","4","1","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","","0.71073","MoKα","","0.0253","0.0234","","","0.0542","0.0549","","","","","","1.062","","","","has coordinates","170928","2020-10-21","18:00:00",""
"1520544","11.2208","0.0016","16.168","0.003","17.031","0.003","90","","108.049","0.019","90","","2937.7","0.9","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Au2 Br Cl2 F6 P -","- C27 H22 Au2 Br Cl2 F6 P -","- C108 H88 Au8 Br4 Cl8 F24 P4 -","4","1","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","x-ray","0.71073","MoKα","","0.1135","0.0813","","","0.2471","0.2633","","","","","","1.06","","","","has coordinates,has disorder","170928","2020-10-21","18:00:00",""
"1520545","11.61","0.0003","23.9064","0.0007","11.1568","0.0003","90","","97.975","0.003","90","","3066.66","0.15","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H40 Au6 Br2 F18 O2 P2 -","- C56 H40 Au6 Br2 F18 O2 P2 -","- C112 H80 Au12 Br4 F36 O4 P4 -","2","0.25","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","","0.71073","MoKα","","0.0432","0.0337","","","0.0849","0.0877","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520580","13.8521","0.0002","24.7127","0.0003","22.886","0.0004","90","","93.263","0.001","90","","7821.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H118 Al3 N6 O6 -","- C84 H118 Al3 N6 O6 -","- C336 H472 Al12 N24 O24 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0763","0.0477","","","0.1079","0.1224","","","","","","1.015","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520581","9.9462","0.0012","10.3018","0.0011","12.8708","0.0015","90","","108.547","0.014","90","","1250.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Al N2 O2 -","- C27 H37 Al N2 O2 -","- C54 H74 Al2 N4 O4 -","2","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0463","0.0382","","","0.0795","0.0828","","","","","","1.028","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520582","8.0191","0.0002","13.4769","0.0003","25.379","0.0008","90","","90","","90","","2742.77","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C116 H164 Al4 N8 O12 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0442","0.0388","","","0.0923","0.0945","","","","","","1.055","","","","has coordinates,has disorder","153075","2020-10-21","18:00:00",""
"1520583","16.6845","0.001","19.6643","0.001","12.0401","0.0007","90","","99.106","0.006","90","","3900.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Al N2 O3 -","- C41 H65 Al N2 O3 -","- C164 H260 Al4 N8 O12 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.1342","0.0773","","","0.1651","0.2001","","","","","","1.052","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520584","14.0484","0.0001","13.4118","0.0001","16.8344","0.0001","90","","101.404","0.001","90","","3109.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0427","0.0394","","","0.1042","0.1081","","","","","","1.042","","","","has coordinates,has disorder","153075","2020-10-21","18:00:00",""
"1520585","10.3884","0.0001","10.3884","0.0001","28.732","0.0004","90","","90","","90","","3100.72","0.06","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0851","0.0845","","","0.2228","0.2237","","","","","","1.065","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520586","10.39461","0.00005","10.39461","0.00005","28.7569","0.0002","90","","90","","90","","3107.12","0.03","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0539","0.0539","","","0.1366","0.1367","","","","","","1.04","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520587","26.2561","0.0001","26.2561","0.0001","26.2561","0.0001","90","","90","","90","","18100.5","0.12","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C31 H45.67 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C696 H984 Al24 N48 O72 -","24","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0633","0.0588","","","0.1671","0.1716","","","","","","1.101","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520588","13.7916","0.0002","12.9946","0.0002","17.548","0.0003","90","","102.79","0.002","90","","3066.86","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N2 O4 Ti -","- C32 H48 N2 O4 Ti -","- C128 H192 N8 O16 Ti4 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0632","0.0599","","","0.1651","0.1698","","","","","","1.037","","","","has coordinates,has disorder","153075","2020-10-21","18:00:00",""
"1520589","12.658","0.007","10.48","0.006","18.889","0.008","90","","127","0.03","90","","2001","2","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C45 H70 Th -","- C45 H70 Th -","- C90 H140 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0783","0.0598","","","0.1288","0.1449","","","","","","1.034","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520590","10.699","0.003","26.148","0.006","17.831","0.004","90","","98.273","0.005","90","","4936","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Th -","- C48 H74 Th -","- C192 H296 Th4 -","4","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0957","0.0561","","","0.112","0.126","","","","","","0.976","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520591","10.468","0.003","11.297","0.003","18.569","0.005","80.098","0.005","82.085","0.004","78.986","0.005","2110.8","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H72 Th -","- C49 H72 Th -","- C98 H144 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.058","0.0462","","","0.0943","0.1005","","","","","","0.995","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520592","11.109","0.002","21.888","0.005","21.958","0.005","97.052","0.004","90.196","0.004","90.925","0.004","5298","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H73 N Th -","- C53 H73 N Th -","- C212 H292 N4 Th4 -","4","2","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.1105","0.0822","","","0.2043","0.2183","","","","","","1.031","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520593","15.278","0.003","12.306","0.003","25.718","0.005","90","","90.308","0.004","90","","4835.2","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H73 N O Th -","- C53 H73 N O Th -","- C212 H292 N4 O4 Th4 -","4","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0377","0.029","","","0.0648","0.0679","","","","","","1.022","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520594","10.9616","0.0016","11.0914","0.0017","20.157","0.003","77.206","0.003","84.115","0.002","75.93","0.002","2315.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 N O Th -","- C52 H77 N O Th -","- C104 H154 N2 O2 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0646","0.0536","","","0.1229","0.1281","","","","","","1.024","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520597","9.3918","0.0009","13.5329","0.0015","51.624","0.005","90","","90","","90","","6561.3","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C320 H240 Cl20 N20 O20 -","20","5","","Pedroni, J.; Saget, T.; Donets, P. A.; Cramer, N.","Enantioselective palladium(0)-catalyzed intramolecular cyclopropane functionalization: access to dihydroquinolones, dihydroisoquinolones and the BMS-791325 ring system","Chem. Sci.","2015","6","9","5164","","10.1039/C5SC01909E","","","0.71073","MoKα","","0.0373","0.0329","","","0.0669","0.0693","","","","","","1.161","","","","has coordinates","171001","2020-10-21","18:00:00",""
"1520598","9.4109","0.0009","10.1841","0.001","11.6538","0.0012","91.036","0.006","102.694","0.006","116.006","0.006","970.92","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H62 N2 Si2 -","- C40 H62 N2 Si2 -","- C40 H62 N2 Si2 -","1","0.5","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54178","CuKα","","0.0908","0.0747","","","0.1935","0.2049","","","","","","1.064","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520599","9.269","0.007","17.342","0.01","11.775","0.011","90","","96.71","0.04","90","","1880","3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N O -","- C20 H31 N O -","- C80 H124 N4 O4 -","4","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54188","","","0.027","0.024","","","","0.021","","","","","","2.192","","","","has coordinates","171005","2020-10-21","18:00:00",""
"1520600","12.8","0.03","13.86","0.04","14.36","0.02","66.45","0.07","79.9","0.04","67.84","0.09","2162","9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","0.6358","monochromatedX-raysbeamlineX10SA@SLS","","0.0843","0.0692","","","0.1814","0.193","","","","","","1.031","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1520601","12.79","0.02","13.783","0.009","14.433","0.019","66.35","0.06","79.58","0.1","67.48","0.07","2152","5","23","2","23","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","0.4769","synchrotron","","0.1285","0.0641","","","0.1418","0.1721","","","","","","1.035","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520602","14.6952","0.0006","10.08","0.0004","17.7472","0.0007","90","","109.567","0.002","90","","2477.04","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","carbene stabilized silicondislenide","","- C24 H39 N O Se2 Si -","- C24 H39 N O Se2 Si -","- C96 H156 N4 O4 Se8 Si4 -","4","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54178","CuKα","","0.0556","0.0393","","","0.0922","0.1002","","","","","","1.018","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520618","15.6111","0.0001","15.6111","0.0001","10.505","0.0001","90","","90","","90","","2560.14","0.03","150","","150","","","","","","","","","5","P -4","P -4","81","","","","- C56 H100 F N O4 -","- C56 H100 F N O4 -","- C112 H200 F2 N2 O8 -","2","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0582","0.0574","","0.1565","0.1551","0.1565","","","","","","1.0106","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520619","9.9446","0.0003","18.0891","0.0007","15.7361","0.0006","90","","103.523","0.004","90","","2752.27","0.18","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Cl2 F N O4 -","- C22 H50 Cl2 F N O4 -","- C88 H200 Cl8 F4 N4 O16 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0693","0.0572","","0.1507","0.1408","0.1507","","","","","","0.9859","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520620","9.9133","0.0001","17.3454","0.0003","18.3631","0.0003","90","","90","","90","","3157.54","0.08","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H60 F N O6 -","- C26 H60 F N O6 -","- C104 H240 F4 N4 O24 -","4","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0623","0.0431","","0.1057","0.0972","0.1057","","","","","","0.9619","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520621","22.5166","0.0001","14.2863","0.0001","19.8783","0.0001","90","","103.626","0.0005","90","","6214.47","0.06","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H60 F N O4 -","- C26 H60 F N O4 -","- C208 H480 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0582","0.0556","","0.1516","0.149","0.1516","","","","","","0.9944","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520622","18.978","0.0002","24.2645","0.0002","10.3218","0.0001","90","","90","","90","","4753.1","0.08","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C38.39 H77.58 F N O12 -","- C38.388 H77.572 F N O12 -","- C153.552 H310.288 F4 N4 O48 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0675","0.0448","","0.0978","0.0884","0.0978","","","","","","0.9807","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520623","25.1923","0.0001","9.6565","0.0001","10.6715","0.0001","90","","92.2457","0.0005","90","","2594.06","0.04","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H44 F0.5 N0.5 O7 -","- C22 H44 F0.5 N0.5 O7 -","- C88 H176 F2 N2 O28 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0327","0.0326","","0.0889","0.0889","0.0889","","","","","","1.0044","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520624","18.6017","0.0003","18.6158","0.0003","19.1084","0.0003","90","","90","","90","","6616.96","0.18","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H64 F N O4 -","- C28 H64 F N O4 -","- C224 H512 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0558","0.0427","","0.1038","0.0979","0.1038","","","","","","0.9864","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520625","10.6859","0.0001","12.6528","0.0001","34.797","0.0003","90","","90","","90","","4704.78","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 F N O4 -","- C56 H64 F N O4 -","- C224 H256 F4 N4 O16 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0272","0.0263","","0.067","0.0662","0.067","","","","","","0.9641","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520626","8.7551","0.00001","12.7463","0.00001","22.1115","0.0002","90","","92.0698","0.0006","90","","2465.93","0.02","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C49 H80 F N O7 -","- C49 H80 F N O7 -","- C98 H160 F2 N2 O14 -","2","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.03","0.0296","","0.0797","0.0793","0.0797","","","","","","0.9982","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520627","14.5683","0.0001","19.9837","0.0002","20.7534","0.0002","91.2454","0.0007","94.4191","0.0007","103.901","0.0008","5842.46","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H78 F N O3 -","- C73 H78 F N O3 -","- C292 H312 F4 N4 O12 -","4","2","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0429","0.0408","","0.0976","0.0961","0.0976","","","","","","0.9862","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520628","9.4953","0.0001","12.1501","0.0002","21.4618","0.0004","81.8444","0.0006","89.1604","0.0006","78.5486","0.0007","2401.96","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H72 F N O3 -","- C55 H72 F N O3 -","- C110 H144 F2 N2 O6 -","2","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0611","0.048","","0.1278","0.1166","0.1277","","","","","","0.9966","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520629","11.2887","0.0001","17.6025","0.0001","24.966","0.0002","90","","98.4318","0.0007","90","","4907.35","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 F N O2 -","- C54 H68 F N O2 -","- C216 H272 F4 N4 O8 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0614","0.0553","","0.1454","0.1394","0.1454","","","","","","0.9822","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520630","13.4717","0.0003","17.5643","0.0004","24.8506","0.0005","78.8655","0.0019","80.5422","0.0017","69.645","0.002","5379","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 F N O2 -","- C60 H80 F N O2 -","- C240 H320 F4 N4 O8 -","4","2","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0502","0.0439","","0.1204","0.1141","0.1203","","","","","","0.9911","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520631","27.7157","0.0006","9.7374","0.0002","25.2072","0.0005","90","","105.664","0.002","90","","6550.2","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H96 F N3 O5 -","- C76 H96 F N3 O5 -","- C304 H384 F4 N12 O20 -","4","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0499","0.0469","","0.1351","0.1322","0.1351","","","","","","0.9935","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520638","9.187","0.0001","9.964","0.0002","15.554","0.0003","108.411","0.0011","96.805","0.0012","95.38","0.0012","1328.34","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H24 Au Fe O2 P S -","- C29 H24 Au Fe O2 P S -","- C58 H48 Au2 Fe2 O4 P2 S2 -","2","1","","Fernández-Gallardo, Jacob; Elie, Benelita T.; Sadhukha, Tanmoy; Prabha, Swayam; Sanaú, Mercedes; Rotenberg, Susan A.; Ramos, Joe W.; Contel, María","Heterometallic titanium‒gold complexes inhibit renal cancer cells in vitro and in vivo","Chem. Sci.","2015","6","9","5269","","10.1039/C5SC01753J","","","0.71073","MoKα","","0.0527","0.0331","","","0.0846","0.1148","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520639","10.1227","0.0016","25.116","0.004","11.547","0.0018","90","","97.553","0.006","90","","2910.3","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl N2 O2 S -","- C33 H29 Cl N2 O2 S -","- C132 H116 Cl4 N8 O8 S4 -","4","2","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.1743","0.0617","","","0.1165","0.1618","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520640","6.0633","0.0002","11.5428","0.0004","42.4729","0.0015","90","","90","","90","","2972.57","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 N2 O4 S -","- C35 H32 N2 O4 S -","- C140 H128 N8 O16 S4 -","4","1","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.0457","0.0369","","","0.0819","0.0867","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520661","7.1574","0.0015","11.25","0.002","22.434","0.005","84.231","0.005","84.177","0.005","89.834","0.005","1787.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Br2 O -","- C20 H16 Br2 O -","- C80 H64 Br8 O4 -","4","2","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","0.71073","MoKα","","0.1242","0.0788","","","0.2136","0.2416","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520662","14.4666","0.0005","10.0707","0.0003","16.4037","0.0006","90","","109.508","0.001","90","","2252.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 O -","- C25 H36 O -","- C100 H144 O4 -","4","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","1.54178","CuKα","","0.0599","0.0584","","","0.1683","0.1702","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520663","23.302","0.004","11.4445","0.0017","18.904","0.003","90","","104.415","0.006","90","","4882.6","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 O -","- C28 H34 O -","- C224 H272 O8 -","8","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","0.71073","MoKα","","0.1226","0.0669","","","0.1756","0.21","","","","","","1.029","","","","has coordinates,has disorder","170925","2020-10-21","18:00:00",""
"1520664","6.0698","0.0001","11.4589","0.0001","13.8421","0.0003","67.027","0.001","85.348","0.001","76.337","0.001","861.26","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Br2 O -","- C20 H16 Br2 O -","- C40 H32 Br4 O2 -","2","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","1.54178","CuKα","","0.0373","0.0364","","","0.1006","0.1015","","","","","","1.058","","","","has coordinates","170925","2020-10-21","18:00:00",""
"1520665","38.0616","0.0007","9.3192","0.0001","48.0059","0.0006","90","","92.3498","0.0005","90","","17013.6","0.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H138 Ge2 Si14 -","- C62 H138 Ge2 Si14 -","- C496 H1104 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0617","0.0476","","","0.1227","0.1342","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520666","12.7486","0.0002","20.8969","0.0004","18.9393","0.0003","90","","103.248","0.0007","90","","4911.28","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C80 H162 Ge2 Si14 -","- C80 H162 Ge2 Si14 -","- C160 H324 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0495","0.0377","","","0.0902","0.0977","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520667","21.4391","0.0003","21.7284","0.0002","36.5231","0.0005","90","","90","","90","","17013.8","0.4","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H142 Ge2 Si14 -","- C64 H142 Ge2 Si14 -","- C512 H1136 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.078","0.0562","","","0.1454","0.1633","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520675","13.4616","0.0003","4.959","0.0001","19.7696","0.0005","90","","93.71","0.002","90","","1316.98","0.05","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-imino-2-phenethylisoindolin-1-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang","Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C‒H functionalizations of phenylethylamines","Chem. Sci.","2015","6","10","5595","","10.1039/C5SC01737H","","","1.54184","CuKα","","0.0474","0.0368","","","0.0911","0.0986","","","","","","1.042","","","","has coordinates","170939","2020-10-21","18:00:00",""
"1520676","33.97","0.016","6.299","0.003","16.431","0.008","90","","92.257","0.008","90","","3513","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-(3-(2-(2-cyano-N-methylbenzamido)ethyl)phenyl)acrylic acid","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang","Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C‒H functionalizations of phenylethylamines","Chem. Sci.","2015","6","10","5595","","10.1039/C5SC01737H","","","0.71073","MoKα","","0.0856","0.0586","","","0.1406","0.1579","","","","","","1.09","","","","has coordinates","170939","2020-10-21","18:00:00",""
"1520695","9.7022","0.0003","14.1065","0.0005","22.5755","0.0007","90","","90","","90","","3089.78","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rzg1463cb","","","- C41 H29 N2 O -","- C41 H29 N2 O -","- C164 H116 N8 O4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0886","0.0461","","","0.1103","0.1398","","","","","","1.013","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520696","9.7137","0.0007","21.2283","0.0015","30.357","0.002","90","","90","","90","","6259.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","man666.01","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C328 H256 N16 O8 -","8","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0828","0.0445","","","0.1081","0.1271","","","","","","1.016","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520697","9.7447","0.0003","10.0599","0.0003","12.2374","0.0004","103.037","0.002","100.267","0.002","97.73","0.001","1130.75","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 F3 N2 O -","- C28 H19 F3 N2 O -","- C56 H38 F6 N4 O2 -","2","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0549","0.0489","","","0.1334","0.1394","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520698","11.5129","0.0003","21.7914","0.0005","17.1772","0.0005","90","","98.718","0.002","90","","4259.66","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O S -","- C27 H21 N O S -","- C216 H168 N8 O8 S8 -","8","2","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0747","0.0463","","","0.1127","0.1261","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520699","7.8222","0.0003","19.2845","0.0006","21.7791","0.0008","90","","100.329","0.002","90","","3232.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C168 H136 N8 O4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0581","0.0467","","","0.1235","0.1323","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520700","7.9626","0.0002","12.2907","0.0004","18.1403","0.0005","90","","102.579","0.001","90","","1732.7","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","man615_LT","","","- C21 H23 N2 O Rh -","- C21 H23 N2 O Rh -","- C84 H92 N8 O4 Rh4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0336","0.0303","","","0.0733","0.0766","","","","","","1.049","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520709","21.91216","0.00013","32.64068","0.00017","35.0386","0.0002","90","","98.2694","0.0006","90","","24800","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C649.9 H447.1 Cu8 N195.3 Na23 O231.1 S32 Zn24 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","1.54184","CuKα","","0.0699","0.0663","","","0.1866","0.1937","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520710","24.6339","0.0015","26.2771","0.0016","38.566","0.002","71.189","0.003","77.8","0.002","87.75","0.002","23086","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4 -","- C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4 -","- C652.9 H460.1 Cu20 N196.3 O239.1 S32 Zn12.8 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","0.71073","MoKα","","0.2743","0.1379","","","0.3434","0.4375","","","","","","1.236","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520711","24.6594","0.0006","26.1086","0.0006","38.5294","0.0008","71.7131","0.0019","78.2731","0.0018","87.7169","0.0019","23054.1","1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C325.25 H227.25 Cu16 N97.75 O116.25 S16 -","- C325.25 H227.25 Cu16 N97.75 O116.25 S16 -","- C650.5 H454.5 Cu32 N195.5 O232.5 S32 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","1.54184","CuKα","","0.1676","0.1152","","","0.3071","0.3676","","","","","","1.118","","","","has coordinates,has disorder","170935","2020-10-21","18:00:00",""
"1520712","16.4641","0.0005","16.4641","0.0005","53.397","0.002","90","","90","","90","","14474.1","0.8","123","2","123","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H52 N24 O20 S4 Zn4 -","- C80 H52 N24 O20 S4 Zn4 -","- C320 H208 N96 O80 S16 Zn16 -","4","","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","0.71073","MoKα","","0.0976","0.0647","","","0.1723","0.1994","","","","","","1.049","","","","has coordinates,has disorder","170935","2020-10-21","18:00:00",""
"1520713","20.3743","0.001","5.7348","0.0004","19.2424","0.0015","90","","102.342","0.006","90","","2196.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","compound 4d and DNP adduct","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","1.5418","CuKα","","0.05","0.046","","","0.1146","0.1179","","","","","","1.058","","","","has coordinates,has disorder","170948","2020-10-21","18:00:00",""
"1520714","6.5498","0.0004","20.4037","0.0013","11.0725","0.0009","90","","100.469","0.003","90","","1455.1","0.18","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","meso L1","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C56 H56 N4 O8 S8 -","2","0.5","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","0.71073","MoKα","","0.0503","0.0359","","","0.0833","0.0935","","","","","","1.023","","","","has coordinates,has disorder","170948","2020-10-21","18:00:00",""
"1520715","15.181","0.006","15.559","0.005","23.696","0.007","90","","105.016","0.018","90","","5406","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","racemic L1","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C224 H224 N16 O32 S32 -","8","1","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","0.71073","MoKα","","0.0521","0.0431","","","0.108","0.1127","","","","","","1.06","","","","has coordinates","170948","2020-10-21","18:00:00",""
"1520741","10.5026","0.0005","11.3327","0.0007","19.4036","0.0009","85.025","0.004","85.154","0.004","71.124","0.005","2173.1","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H69 Ga N2 Si3 -","- C39 H69 Ga N2 Si3 -","- C78 H138 Ga2 N4 Si6 -","2","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0358","0.0327","","","0.0848","0.0879","","","","","","1.026","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520742","11.519","0.003","20.858","0.002","11.942","0.003","90","","117.73","0.04","90","","2539.7","1.3","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H80 Ga Li N2 Si4 -","- C43 H81 Ga Li N2 Si4 -","- C86 H162 Ga2 Li2 N4 Si8 -","2","0.5","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.54178","CuKα","","0.0807","0.0579","","","0.1449","0.1567","","","","","","1.024","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520743","11.5267","0.0005","18.7832","0.0008","24.68","0.001","90","","90.988","0.004","90","","5342.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H84 Ga Li N2 O2 Si3 -","- C47 H84 Ga Li N2 O2 Si3 -","- C188 H336 Ga4 Li4 N8 O8 Si12 -","4","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","0.71073","MoKα","","0.0861","0.0531","","","0.1039","0.12","","","","","","1.065","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520744","11.3181","0.0005","13.8704","0.0007","17.8645","0.0006","69.483","0.004","71.891","0.003","67.251","0.004","2371.9","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H77 Ga N2 O Si3 -","- C43 H77 Ga N2 O Si3 -","- C86 H154 Ga2 N4 O2 Si6 -","2","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0399","0.0351","","","0.0907","0.0945","","","","","","1.015","","","","has coordinates","170930","2020-10-21","18:00:00",""
"1520745","21.8907","0.0005","11.0318","0.0002","20.6366","0.0004","90","","117.951","0.003","90","","4402.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 Ga N2 Si3 -","- C40 H71 Ga N2 Si3 -","- C160 H284 Ga4 N8 Si12 -","4","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0954","0.0887","","","0.2474","0.2603","","","","","","1.066","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520746","10.6838","0.0003","19.4876","0.0005","18.4437","0.0004","90","","102.692","0.002","90","","3746.18","0.17","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H58 N2 Si2 Zn -","- C35 H58 N2 Si2 Zn -","- C140 H232 N8 Si8 Zn4 -","4","0.5","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","0.71073","MoKα","","0.0788","0.0489","","","0.101","0.1112","","","","","","1.032","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520747","10.8994","0.0003","20.7161","0.0005","18.9857","0.0004","90","","92.16","0.002","90","","4283.79","0.18","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H69 Al N2 Rh Si -","- C42 H69 Al N2 Rh Si -","- C168 H276 Al4 N8 Rh4 Si4 -","4","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.0549","0.0374","","","0.0801","0.0898","","","","","","1.042","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520748","10.3195","0.0007","11.6531","0.0005","19.8109","0.001","77.86","0.004","75.973","0.005","73.269","0.005","2188","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H73 N2 Rh Si Zn -","- C45 H73 N2 Rh Si Zn -","- C90 H146 N4 Rh2 Si2 Zn2 -","2","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.0551","0.0349","","","0.0603","0.0656","","","","","","1.022","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520749","10.3775","0.0004","11.6602","0.0007","19.854","0.0009","77.684","0.004","75.691","0.004","73.192","0.004","2202.2","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H73 Mg N2 Rh Si -","- C45 H73 Mg N2 Rh Si -","- C90 H146 Mg2 N4 Rh2 Si2 -","2","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.047","0.0359","","","0.0691","0.0733","","","","","","1.026","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520750","17.4233","0.0003","16.5193","0.0003","23.4839","0.0004","90","","104.958","0.0016","90","","6530.1","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 Al2 N4 Rh2 -","- C72 H98 Al2 N4 Rh2 -","- C288 H392 Al8 N16 Rh8 -","4","0.5","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","1.54184","CuKα","","0.0373","0.0308","","","0.0764","0.0813","","","","","","1.038","","","","has coordinates,has disorder","170941","2020-10-21","18:00:00",""
"1520954","11.7715","0.0013","12.7462","0.0015","15.4167","0.0017","105.421","0.002","96.436","0.002","103.43","0.002","2131.3","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Cl In N2 O2 -","- C48 H64 Cl In N2 O2 -","- C96 H128 Cl2 In2 N4 O4 -","2","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0357","0.0343","","","0.0908","0.0913","","","","","","1.392","","","","has coordinates,has disorder","171002","2020-10-21","18:00:00",""
"1520955","15.0752","0.0009","22.4148","0.0014","23.2893","0.0013","90","","90","","90","","7869.6","0.8","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103.5 In2 N8.5 O6 -","- C73.016 H103.524 In2 N8.508 O6 -","- C292.064 H414.096 In8 N34.032 O24 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.067","0.0469","","","0.1033","0.112","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520956","36.78","0.004","8.3688","0.0008","24.188","0.002","90","","115.26","0.002","90","","6733.3","1.1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H46 Cl In N4 O2 -","- C34 H46 Cl In N4 O2 -","- C272 H368 Cl8 In8 N32 O16 -","8","2","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0228","0.0202","","","0.0473","0.0487","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520957","9.192","0.002","16.465","0.004","25.858","0.006","90","","90","","90","","3913.5","1.6","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 In N3 O3 -","- C42 H58 In N3 O3 -","- C168 H232 In4 N12 O12 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0388","0.0307","","","0.055","0.0572","","","","","","1.023","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1520958","12.019","0.005","20.066","0.009","23.278","0.011","90","","90","","90","","5614","4","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H58 In N3 O3 Si2 -","- C64 H58 In N3 O3 Si2 -","- C256 H232 In4 N12 O12 Si8 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0647","0.0497","","","0.1324","0.1458","","","","","","0.722","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1520959","14.07","0.0005","10.406","0.0003","14.8885","0.0004","90","","103.249","0.003","90","","2121.84","0.12","190","2","190","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O2 -","- C25 H40 O2 -","- C100 H160 O8 -","4","2","","Challinor, Victoria L.; Johnston, Ryne C.; Bernhardt, Paul V.; Lehmann, Reginald P.; Krenske, Elizabeth H.; De Voss, James J.","Biosynthetic insights provided by unusual sesterterpenes from the medicinal herb Aletris farinosa","Chem. Sci.","2015","6","10","5740","","10.1039/C5SC02056E","","x-ray","1.5418","CuKα","","0.0469","0.0446","","","0.125","0.1279","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520960","9.566","0.002","10.649","0.002","17.115","0.003","90","","95.18","0.03","90","","1736.4","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H30 Br N2 O5 P Pd -","- C34 H30 Br N2 O5 P Pd -","- C68 H60 Br2 N4 O10 P2 Pd2 -","2","1","","Xie, Lan-Gui; Bagutski, Viktor; Audisio, Davide; Wolf, Larry M.; Schmidts, Volker; Hofmann, Kathrin; Wirtz, Cornelia; Thiel, Walter; Thiele, Christina M.; Maulide, Nuno","Dynamic behaviour of monohaptoallylpalladium species: internal coordination as a driving force in allylic alkylation chemistry","Chem. Sci.","2015","6","10","5734","","10.1039/C5SC01867F","","","0.71073","MoKα","","0.0909","0.059","","","0.1068","0.1127","","","","","","1.151","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521277","8.9698","0.0004","18.4284","0.0008","12.3981","0.0005","90","","98.31","0.002","90","","2027.88","0.15","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N4 O -","- C20 H27 Br N4 O -","- C80 H108 Br4 N16 O4 -","4","2","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0228","0.0226","","","0.0588","0.059","","","","","","0.977","","","","has coordinates","170934","2020-10-21","18:00:00",""
"1521278","10.0804","0.0003","9.9982","0.0003","19.7575","0.0006","90","","103.299","0.0017","90","","1937.88","0.1","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N7 O7 -","- C33 H53 N7 O7 -","- C66 H106 N14 O14 -","2","1","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0444","0.0425","","","0.1073","0.1089","","","","","","1.065","","","","has coordinates","170934","2020-10-21","18:00:00",""
"1521279","9.6223","0.0003","14.2389","0.0005","18.6464","0.0007","85.8029","0.0011","78.4958","0.001","76.9593","0.001","2437.81","0.15","122","2","122","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H72 Cl7 N P2 Pt Ru -","- C43 H72 Cl7 N P2 Pt Ru -","- C86 H144 Cl14 N2 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0452","0.0317","","","0.0603","0.0641","","","","","","1.037","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521280","11.5671","0.0014","13.5147","0.0013","24.091","0.003","76.202","0.004","88.744","0.004","72.724","0.004","3487.5","0.7","122.4","","122.4","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H96 Cl5 N P4 Pd Ru -","- C73 H96 Cl5 N P4 Pd Ru -","- C146 H192 Cl10 N2 P8 Pd2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0989","0.0435","","","0.0728","0.0861","","","","","","1.025","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521281","13.811","0.0018","40.893","0.006","16.343","0.002","90","","97.877","0.005","90","","9143","2","122.4","","122.4","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H144 Cl11 Ir O2 P4 Ru2 -","- C81 H144 Cl11 Ir O2 P4 Ru2 -","- C324 H576 Cl44 Ir4 O8 P16 Ru8 -","4","0.5","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0605","0.0346","","","0.0671","0.0752","","","","","","1.022","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521282","10.9458","0.0006","15.8362","0.0009","16.7533","0.001","111.788","0.002","96.293","0.002","99.958","0.002","2607.5","0.3","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H92 Cl3 Ir P2 Ru -","- C51 H92 Cl3 Ir P2 Ru -","- C102 H184 Cl6 Ir2 P4 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0257","0.0195","","","0.0409","0.0426","","","","","","1.048","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521283","11.307","0.0019","13.305","0.0009","24.398","0.005","75.582","0.009","88.059","0.013","71.085","0.006","3358.5","0.9","122","2","122.15","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H88 As Cl7 O2 P2 Pt Ru -","- C63 H88 As Cl7 O2 P2 Pt Ru -","- C126 H176 As2 Cl14 O4 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0373","0.0282","","","0.0689","0.0727","","","","","","1.044","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521284","10.935","0.0012","12.995","0.0005","18.693","0.003","78.174","0.004","75.183","0.012","75.241","0.008","2455.3","0.5","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H80 Cl5 P2 Rh Ru -","- C46 H80 Cl5 P2 Rh Ru -","- C92 H160 Cl10 P4 Rh2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0232","0.0194","","","0.0472","0.0504","","","","","","1.082","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521285","10.432","0.0007","12.713","0.0012","19.025","0.003","77.214","0.009","80.085","0.005","82.926","0.006","2414.3","0.5","122","2","122.15","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H74 Cl6 O P2 Pt Ru S -","- C40 H74 Cl6 O P2 Pt Ru S -","- C80 H148 Cl12 O2 P4 Pt2 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0142","0.0131","","","0.0364","0.0371","","","","","","1.171","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521286","13.297","0.0006","14.55","0.0013","18.906","0.0017","111.639","0.007","93.007","0.005","92.517","0.006","3387.4","0.5","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","mu-carbido-[(4'-phenyl-2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate","","- C61 H83 Ag Cl8 F3 N3 O3 P2 Ru S -","- C61 H83 Ag Cl8 F3 N3 O3 P2 Ru S -","- C122 H166 Ag2 Cl16 F6 N6 O6 P4 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.067","0.0521","","","0.1405","0.1584","","","","","","1.092","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521287","32.65","0.02","13.4","0.02","23.89","0.02","90","","109.79","0.02","90","","9835","18","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis[(μ-chloro-carbonylrhodium(I))-μ-carbido-dichlorobistricyclohexylphosphinruthenium(VI)]","","- C81.47 H144.4 Cl8.53 O3.16 P4 Rh2 Ru2 -","- C81.468 H144.404 Cl8.532 O3.156 P4 Rh2 Ru2 -","- C325.872 H577.616 Cl34.128 O12.624 P16 Rh8 Ru8 -","4","0.5","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0668","0.0471","","","0.1313","0.1474","","","","","","1.193","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1521288","14.248","0.0009","15.814","0.0018","16.607","0.0018","70.503","0.009","74.933","0.005","68.534","0.009","3241.9","0.6","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","mu-carbido-[(2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate","","- C55 H79 Ag Cl8 F3 N3 O3 P2 Ru S -","- C55 H79 Ag Cl8 F3 N3 O3 P2 Ru S -","- C110 H158 Ag2 Cl16 F6 N6 O6 P4 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0921","0.0605","","","0.1373","0.1571","","","","","","1.065","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521289","19.988","0.004","16.619","0.004","27.233","0.004","90","","100.779","0.015","90","","8887","3","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","bis[mu-carbido(dichlorobis(tricyclohexylphosphine)ruthenium(VI)]gold(I)-tetrafluoroborate","","- C76 H134 Au B Cl10 F4 P4 Ru2 -","- C76 H134 Au B Cl10 F4 P4 Ru2 -","- C304 H536 Au4 B4 Cl40 F16 P16 Ru8 -","4","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0831","0.0676","","","0.1546","0.1614","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521290","13.392","0.002","17.683","0.001","20.172","0.002","90","0.009","121.735","0.011","90","0.007","4062.7","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichlorobistriphenylphosphinruthenium(VI)-mu-carbido-chlorogold(I)","","- C37 H66 Au Cl3 P2 Ru -","- C37 H66 Au Cl3 P2 Ru -","- C148 H264 Au4 Cl12 P8 Ru4 -","4","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0687","0.0521","","","0.1189","0.1298","","","","","","1.241","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523944","11.2966","0.0002","12.1022","0.0003","12.7036","0.0003","85.244","0.001","70.619","0.001","77.661","0.001","1600.36","0.06","296","2","296","2","","","","","","","syn","5","P -1","-P 1","2","","","","- C32 H30 N2 O4 S4 -","- C32 H30 N2 O4 S4 -","- C64 H60 N4 O8 S8 -","2","1","","Yadagiri, Dongari; Anbarasan, Pazhamalai","Tandem 1,2-sulfur migration and (aza)-Diels‒Alder reaction of β-thio-α-diazoimines: rhodium catalyzed synthesis of (fused)-polyhydropyridines, and cyclohexenes","Chem. Sci.","2015","6","10","5847","","10.1039/C5SC02379C","","x-ray","0.71073","MoKα","","0.0418","0.035","","","0.092","0.0998","","","","","","1.029","","","","has coordinates","171425","2020-10-21","18:00:00",""
"1529061","10.1241","0.0004","10.1353","0.0004","17.3058","0.0006","84.1092","0.0012","73.833","0.0012","63.9157","0.0011","1531.42","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H22 B F9 -","- C37 H22 B F9 -","- C74 H44 B2 F18 -","2","1","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.062","0.0516","","","0.1253","0.1337","","","","","","1.032","","","","has coordinates,has disorder","170936","2020-10-21","18:00:00",""
"1529062","9.7736","0.0005","16.1049","0.0008","16.4046","0.0008","76.766","0.002","74.775","0.002","75.51","0.002","2375.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B F9 -","- C28 H18 B F9 -","- C112 H72 B4 F36 -","4","2","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.0485","0.0429","","","0.1038","0.1103","","","","","","0.903","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1529063","8.6666","0.0011","35.693","0.005","15.69","0.002","90","","91.689","0.004","90","","4851.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 B F9 O -","- C28 H20 B F9 O -","- C224 H160 B8 F72 O8 -","8","2","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.104","0.0619","","","0.1492","0.1773","","","","","","0.886","","","","has coordinates,has disorder","170936","2020-10-21","18:00:00",""
"1529064","9.2715","0.0004","36.7577","0.0015","11.3129","0.0005","90","","90.098","0.004","90","","3855.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 N8 O9 -","- C37 H54 N8 O9 -","- C148 H216 N32 O36 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","x-ray","0.71073","MoKα","","0.2072","0.157","","","0.3787","0.411","","","","","","1.063","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529065","13.3658","0.0002","9.4864","0.0001","17.7634","0.0002","90","","104.204","0.001","90","","2183.42","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N8 O13 -","- C39.275 H65.1 N8 O12.275 -","- C78.55 H130.2 N16 O24.55 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.0623","0.0575","","","0.1487","0.1518","","","","","","1.08","","","","has coordinates","170946","2020-10-21","18:00:00",""
"1529066","16.9971","0.0011","9.2681","0.0004","25.8496","0.0017","90","","99.408","0.006","90","","4017.3","0.4","123","2","123","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C36 H52 N8 O9 -","- C36 H52 N8 O9 -","- C144 H208 N32 O36 -","4","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.1457","0.0892","","","0.2133","0.2361","","","","","","0.981","","","","has coordinates","170946","2020-10-21","18:00:00",""
"1529067","17.7309","0.0007","9.6245","0.0003","26.236","0.001","90","","107.755","0.004","90","","4263.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C156 H256 N32 O48 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.1477","0.0918","","","0.2165","0.253","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529068","9.769","0.005","13.318","0.005","17.543","0.005","90","0.005","103.191","0.005","90","0.005","2222.2","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C78 H128 N16 O24 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71069","MoKα","","0.0658","0.0571","","","0.1425","0.1496","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529075","18.2529","0.0005","6.5741","0.0002","21.2658","0.0006","90","","100.998","0.0014","90","","2504.95","0.13","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.52 H21.52 F6 N0.48 O2 S2 -","- C28.52 H21.52 F6 N0.48 O2 S2 -","- C114.08 H86.08 F24 N1.92 O8 S8 -","4","1","","Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro","Light-driven bending of diarylethene mixed crystals","Chem. Sci.","2015","6","10","5746","","10.1039/C5SC01994J","","","1.54178","CuKα","","0.0426","0.0384","","","0.1018","0.1055","","","","","","1.037","","","","has coordinates","170924","2020-10-21","18:00:00",""
"1529076","15.141","0.004","18.267","0.005","19.761","0.005","72.453","0.005","86.674","0.006","77.582","0.006","5089","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 F6 N2 O2 S2 -","- C27 H20 F6 N2 O2 S2 -","- C216 H160 F48 N16 O16 S16 -","8","4","","Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro","Light-driven bending of diarylethene mixed crystals","Chem. Sci.","2015","6","10","5746","","10.1039/C5SC01994J","","","0.71073","MoKα","","0.1212","0.077","","","0.1389","0.1561","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529077","29.93","0.006","29.93","0.006","28.878","0.006","90","","90","","120","","22403","8","100","2","100","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C679.8 H533.7 Cl12 Cu12 F144 N93.9 O84 S12 -","6","1","","Mortezaei, Shahab; Catarineu, Noelle R.; Duan, Xueyou; Hu, Chunhua; Canary, James W.","Redox-configurable ambidextrous catalysis: structural and mechanistic insight","Chem. Sci.","2015","6","10","5904","","10.1039/C5SC02144H","","","0.71073","MoKα","","0.0974","0.0782","","","0.2086","0.2228","","","","","","1.005","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529078","34.794","0.016","5.836","0.003","28.131","0.014","90","","97.862","0.011","90","","5659","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65.36 H70.72 N4 O2.68 -","- C65.36 H70.72 N4 O2.68 -","- C261.44 H282.88 N16 O10.72 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.7107","MoKα","","0.0931","0.0597","","","0.1624","0.1931","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529079","34.89","0.003","5.8074","0.0004","28.103","0.002","90","","98.31","0.002","90","","5634.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H67 N4 O2 -","- C66 H67 N4 O2 -","- C264 H268 N16 O8 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0841","0.0717","","","0.2167","0.2318","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529080","34.814","0.002","5.8498","0.0004","27.956","0.002","90","","98.517","0.002","90","","5630.6","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H71 N4 O4.5 -","- C68 H71 N4 O4.5 -","- C272 H284 N16 O18 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0733","0.0579","","","0.1626","0.1751","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529081","34.994","0.005","5.7712","0.0009","28.005","0.005","90","","97.696","0.005","90","","5604.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N4 O3 -","- C63 H69 N4 O3 -","- C252 H276 N16 O12 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0978","0.0681","","","0.1908","0.2163","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529082","34.875","0.004","5.794","0.0006","28.028","0.003","90","","98.453","0.002","90","","5602","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N7 O6 -","- C63 H69 N7 O6 -","- C252 H276 N28 O24 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0742","0.061","","","0.1765","0.1876","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529083","35.119","0.008","5.8515","0.0013","28.129","0.006","90","","96.944","0.005","90","","5738","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H68 N4 O2 -","- C68 H68 N4 O2 -","- C272 H272 N16 O8 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1489","0.1199","","","0.3229","0.34","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529084","5.8032","0.0007","17.6171","0.0018","28.095","0.003","82.852","0.004","89.95","0.004","81.848","0.004","2820.8","0.5","100","2","100","2","","","","","","","Inmersion in P-Xylene","3","P -1","-P 1","2","","","","- C68 H70 N4 -","- C68 H70 N4 -","- C136 H140 N8 -","2","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.148","0.0788","","","0.1961","0.2277","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529085","34.833","0.004","5.8219","0.0007","28.205","0.003","90","","98.49","0.005","90","","5657.1","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H76 N4 -","- C70 H76 N4 -","- C280 H304 N16 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1361","0.0699","","","0.1761","0.2142","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529086","5.8111","0.0013","17.553","0.004","28.328","0.005","82.08","0.006","89.417","0.006","83.086","0.006","2841.1","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H72 N4 -","- C74 H72 N4 -","- C148 H144 N8 -","2","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1388","0.0949","","","0.2375","0.2665","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529087","35.689","0.004","5.9481","0.0006","28.84","0.003","90","","97.562","0.006","90","","6069","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H74 N6 -","- C70 H74 N6 -","- C280 H296 N24 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.7107","MoKα","","0.0931","0.0768","","","0.2101","0.2312","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529088","29.5994","0.0013","29.5994","0.0013","52.255","0.004","90","","90","","120","","39648","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper cyanide","","- C133 H99 Cu5.5 N17 O31 -","- C132 H99 Cu5.5 N15 O27 -","- C792 H594 Cu33 N90 O162 -","6","0.333333","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1428","0.0881","","","0.2481","0.2828","","","","","","0.774","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529089","57.029","0.002","34.131","0.003","24.4704","0.0006","90","","95.496","0.002","90","","47412","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris(4-pyridyl-methyl)cyclotriguaiacyclene copper triflate","","- C168 H156 Cu3 F0 N12 O27 S0 -","- C168 H156 Cu3 N12 O27 -","- C672 H624 Cu12 N48 O108 -","4","0.5","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1146","0.09","","","0.2352","0.2508","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529090","11.0753","0.001","32.119","0.003","47.079","0.004","90","","92.659","0.001","90","","16729","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bromotris(4-pyridyl-benzyl)cyclotriguaiacyclene copper(ii) bromide","","- C128 H126 Br4 Cu2 N6 O17 S4 -","- C128 H126 Br3.75 Cu2 N6 O17 S4 -","- C512 H504 Br15 Cu8 N24 O68 S16 -","4","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.71073","MoKα","","0.1933","0.146","","","0.3872","0.4168","","","","","","1.412","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529091","14.4856","0.0003","18.0721","0.0004","30.4166","0.0007","96.787","0.002","93.193","0.002","102.088","0.002","7704.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper triflate","","- C108 H102 Cu2 F12 N10 O36 S4 -","- C107 H102 Cu2 F9 N10 O33 S3 -","- C214 H204 Cu4 F18 N20 O66 S6 -","2","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1253","0.1063","","","0.2998","0.3235","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529092","9.459","0.002","29.785","0.007","34.465","0.008","90","","90","","90","","9710","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(isonicotinoyl)cyclotriguaiacyclene copper(i) tetrafluoroborate","","- C47 H44.5 B Cu F4 N5.5 O11 -","- C47 H40.5 B Cu F4 N5.5 O11 -","- C376 H324 B8 Cu8 F32 N44 O88 -","8","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.6889","","","0.136","0.1163","","","0.3412","0.3652","","","","","","1.318","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529093","28.9123","0.001","20.7706","0.0008","29.7284","0.0013","90","","101.224","0.004","90","","17511.2","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris(isonicotonoyl)cyclotriguaiacyclene copper(II) tetrafluoroborate","","- C149 H187 B4 Cu2 F16 N19 O34.5 -","- C149 H175 B4 Cu2 F16 N19 O34.5 -","- C596 H700 B16 Cu8 F64 N76 O138 -","4","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1803","0.1262","","","0.336","0.3928","","","","","","1.303","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529094","15.4223","0.001","19.5085","0.0012","28.1607","0.0017","100.656","0.004","105.671","0.003","102.75","0.004","7682","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bromo[tris(4-pyridyl)methyl)cyclotriguaiacyclene]copper(II) bromide","","- C93 H105 Br3 Cu2 N6 O16.5 S4.5 -","- C93.05 H105 Br3 Cu2 N6 O16.5 S4.5 -","- C186.1 H210 Br6 Cu4 N12 O33 S9 -","2","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.71073","MoKα","","0.1479","0.1149","","","0.3304","0.3488","","","","","","1.248","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529194","13.16","0.007","16.367","0.008","19.701","0.01","90","","103.837","0.004","90","","4120","4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H120 N6 O2 Y2 -","- C94 H120 N6 O2 Y2 -","- C188 H240 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1412","0.0948","","","0.1451","0.1664","","","","","","1.126","","","","has coordinates,has disorder","170937","2020-10-21","18:00:00",""
"1529195","13.324","0.006","16.849","0.007","19.59","0.008","90","","104.35","0.005","90","","4261","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H128 N6 O2 Y2 -","- C98 H128 N6 O2 Y2 -","- C196 H256 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1024","0.0661","","","0.1386","0.1626","","","","","","1.061","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529196","13.2137","0.0009","17.8164","0.0009","18.8346","0.0012","90","","102.372","0.003","90","","4331.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H128 N6 O4 Y2 -","- C98 H128 N6 O4 Y2 -","- C196 H256 N12 O8 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.0681","0.0498","","","0.1025","0.113","","","","","","1.093","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529197","16.313","0.007","20.362","0.009","20.231","0.009","90","","92.019","0.004","90","","6716","5","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H100 N6 O2 Y2 -","- C70 H100 N6 O2 Y2 -","- C280 H400 N24 O8 Y8 -","4","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1091","0.0784","","","0.1337","0.1492","","","","","","1.109","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529198","15.639","0.007","17.514","0.008","16.24","0.008","90","","104.711","0.004","90","","4302","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H120 N6 O2 Y2 -","- C94 H120 N6 O2 Y2 -","- C188 H240 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1348","0.1176","","","0.1838","0.193","","","","","","1.29","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529199","13.492","0.012","13.673","0.012","19.028","0.018","90","","101.334","0.009","90","","3442","5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H104 N6 O4 Y2 -","- C72 H104 N6 O4 Y2 -","- C144 H208 N12 O8 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1414","0.0914","","","0.1563","0.1837","","","","","","1.063","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529200","12.902","0.01","21.925","0.016","16.088","0.013","90","","106.222","0.006","90","","4370","6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 N3 O2 Y -","- C47 H62 N3 O2 Y -","- C188 H248 N12 O8 Y4 -","4","1","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1641","0.1188","","","0.2648","0.3028","","","","","","1.111","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529203","11.5703","0.0012","11.7055","0.0013","21.152","0.002","86.747","0.005","83.81","0.005","75.03","0.005","2750.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[U(OCP)(amid)3].[0.5toluene]","","","- C43.5 H73 N6 O P Si6 U -","- C43.5 H73 N6 O P Si6 U -","- C87 H146 N12 O2 P2 Si12 U2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0286","0.0279","","","0.07","0.0702","","","","","","1.371","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529204","11.4301","0.0009","21.3302","0.0016","24.614","0.002","99.881","0.004","90.073","0.004","95.606","0.004","5882.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Th(OCP)(amid)3","","","- C40 H69 N6 O P Si6 Th -","- C40 H69 N6 O P Si6 Th -","- C160 H276 N24 O4 P4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0358","0.0282","","","0.0651","0.0683","","","","","","0.975","","","","has coordinates,has disorder","170984","2020-10-21","18:00:00",""
"1529205","15.5201","0.0007","17.9868","0.0008","37.3806","0.0017","90","","97.783","0.002","90","","10338.9","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[U(NCO)L3]","","","- C40 H69 N7 O Si6 U -","- C40 H69 N7 O Si6 U -","- C320 H552 N56 O8 Si48 U8 -","8","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0314","0.0285","","","0.0539","0.0545","","","","","","1.319","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1529206","11.2966","0.0019","23.057","0.004","23.27","0.004","66.405","0.006","87.39","0.006","77.614","0.006","5419.5","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H73 N7 O Si6 Th -","- C43.5 H73 N7 O Si6 Th -","- C174 H292 N28 O4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0226","0.0195","","","0.0469","0.0482","","","","","","1.019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529207","11.581","0.0007","11.6278","0.0007","21.115","0.0013","86.775","0.002","83.982","0.002","75.259","0.002","2733.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","U(NCS)(amid)3.toluene","","","- C43.5 H73 N7 S Si6 U -","- C43.5 H73 N7 S Si6 U -","- C87 H146 N14 S2 Si12 U2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.03","0.0294","","","0.0794","0.0796","","","","","","1.383","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529208","11.6047","0.0006","11.6602","0.0006","21.204","0.0011","86.479","0.002","83.836","0.002","75.464","0.002","2759.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Th(NCS)(amid)3","","","- C43.5 H73 N7 S Si6 Th -","- C43.5 H73 N7 S Si6 Th -","- C87 H146 N14 S2 Si12 Th2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0282","0.0278","","","0.0779","0.0781","","","","","","1.417","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529209","14.8598","0.001","19.6824","0.0013","24.2681","0.0017","105.87","0.0027","101.321","0.0026","96.5472","0.0027","6587.8","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(amid)3Th(OCP)Ni(COD)].(hexane)0.75","","","- C52.5 H91.5 N6 Ni O P Si6 Th -","- C52.5 H91.5 N6 Ni O P Si6 Th -","- C210 H366 N24 Ni4 O4 P4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0388","0.0333","","","0.0826","0.0857","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529210","10.9481","0.0017","39.559","0.007","24.446","0.004","90","","92.404","0.005","90","","10578","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H143 Cl N14 O5 -","- C114 H143 Cl N14 O5 -","- C456 H572 Cl4 N56 O20 -","4","1","","Galán, Albano; Valderrey, Virginia; Ballester, Pablo","Ordered co-encapsulation of chloride with polar neutral guests in a tetraurea calix[4]pyrrole dimeric capsule","Chem. Sci.","2015","6","11","6325","","10.1039/C5SC02024G","","","0.71073","MoKα","","0.1993","0.1225","","","0.3397","0.397","","","","","","1.381","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529211","15.281","0.004","3.8302","0.0009","24.754","0.004","90","","125.705","0.011","90","","1176.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.0897","0.0718","","","0.2014","0.2162","","","","","","1.111","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529212","6.0914","0.0007","8.5177","0.0011","23.947","0.003","90","","90.598","0.007","90","","1242.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.169","0.1269","","","0.3426","0.392","","","","","","1.388","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529213","7.946","0.0007","9.4371","0.0009","9.6309","0.001","90","","100.506","0.003","90","","710.09","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.0446","0.038","","","0.0998","0.1154","","","","","","1.085","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529214","17.5705","0.0012","22.6256","0.0012","24.6091","0.0011","90","","100.073","0.006","90","","9632.4","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H76 Dy N11 O -","- C92 H76 Dy N11 O -","- C368 H304 Dy4 N44 O4 -","4","1","","Cao, Wei; Gao, Chen; Zhang, Yi-Quan; Qi, Dongdong; Liu, Tao; Wang, Kang; Duan, Chunying; Gao, Song; Jiang, Jianzhuang","Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core","Chem. Sci.","2015","6","10","5947","","10.1039/C5SC02314A","","","1.54178","CuKα","","0.1302","0.0996","","","0.2531","0.2788","","","","","","0.934","","","","has coordinates","170943","2020-10-21","18:00:00",""
"1529215","31.8037","0.0011","17.264","0.0004","32.0054","0.0008","90","","102.045","0.003","90","","17186","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C189 H157 Cl15 Dy2 N22 S2 -","- C189 H157 Cl15 Dy2 N22 S2 -","- C756 H628 Cl60 Dy8 N88 S8 -","4","0.5","","Cao, Wei; Gao, Chen; Zhang, Yi-Quan; Qi, Dongdong; Liu, Tao; Wang, Kang; Duan, Chunying; Gao, Song; Jiang, Jianzhuang","Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core","Chem. Sci.","2015","6","10","5947","","10.1039/C5SC02314A","","","0.71073","MoKα","","0.0973","0.0684","","","0.1745","0.1888","","","","","","1.038","","","","has coordinates","170943","2020-10-21","18:00:00",""
"1529216","9.5286","0.0002","10.2653","0.0003","21.7873","0.0005","90","","90","","90","","2131.1","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C104 H84 Cl4 N8 O8 -","4","1","","Li, Bao-Sheng; Wang, Yuhuang; Jin, Zhichao; Chi, Yonggui Robin","Cycloaddition of cyclobutenone and azomethine imine enabled by chiral isothiourea organic catalysts","Chem. Sci.","2015","6","10","6008","","10.1039/C5SC01972A","","","0.71073","MoKα","","0.0496","0.0369","","","0.0779","0.0847","","","","","","1.02","","","","has coordinates","170945","2020-10-21","18:00:00",""
"1529251","10.7013","0.0005","11.2094","0.0006","17.8097","0.0008","90.007","0.002","104.509","0.002","98.16","0.002","2045.87","0.17","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H3 B F32 N3 P -","- C42 H3 B F32 N3 P -","- C84 H6 B2 F64 N6 P2 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0567","0.0366","","","0.0773","0.0844","","","","","","1.033","","","","has coordinates","170989","2020-10-21","18:00:00",""
"1529252","12.8405","0.0007","18.5144","0.0012","22.501","0.0013","90","","90.649","0.003","90","","5348.9","0.5","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H30 B F20 N3 P2 -","- C60 H30 B F20 N3 P2 -","- C240 H120 B4 F80 N12 P8 -","4","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.1836","0.0676","","","0.0893","0.112","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529253","12.7734","0.0006","14.9217","0.0008","15.1042","0.0008","107.504","0.003","95.932","0.003","111.054","0.002","2489","0.2","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 B F20 N3 P2 -","- C48 H54 B F20 N3 P2 -","- C96 H108 B2 F40 N6 P4 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0507","0.0357","","","0.0816","0.0886","","","","","","1.019","","","","has coordinates","170989","2020-10-21","18:00:00",""
"1529254","11.7044","0.0005","16.5009","0.0007","18.3335","0.0007","86.77","0.002","76.082","0.002","83.169","0.002","3411","0.2","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 B Cl0 F2 N7 -","- C66 H52 B F20 N7 -","- C132 H104 B2 F40 N14 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.2521","0.224","","","0.5913","0.6199","","","","","","2.992","","","","has coordinates","170989","2020-10-21","18:00:00",""
"1529255","12.226","0.0004","23.2442","0.0006","14.116","0.0004","90","","107.089","0.001","90","","3834.42","0.19","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H15 B F20 N3 P -","- C42 H15 B F20 N3 P -","- C168 H60 B4 F80 N12 P4 -","4","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0617","0.0367","","","0.0779","0.0876","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529258","11.4678","0.0017","19.447","0.003","15.154","0.002","90","","112.202","0.002","90","","3129","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H15 N4 O0.5 -","- C19.5 H15 N4 O0.5 -","- C156 H120 N32 O4 -","8","2","","He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents","Chem. Sci.","2015","6","10","5409","","10.1039/C5SC01955A","","","0.71073","MoKα","","0.0578","0.0395","","","0.096","0.1068","","","","","","1.039","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529259","8.5758","0.0012","14.436","0.002","17.199","0.003","79.43","0.004","89.672","0.004","84.686","0.005","2084","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 F10 Ir N6 O2 P -","- C44 H36 F10 Ir N6 O2 P -","- C88 H72 F20 Ir2 N12 O4 P2 -","2","1","","He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents","Chem. Sci.","2015","6","10","5409","","10.1039/C5SC01955A","","","0.71073","MoKα","","0.0784","0.0585","","","0.1063","0.1128","","","","","","0.992","","","","has coordinates","170926","2020-10-21","18:00:00",""
"1529260","6.2616","0.001","9.355","0.0015","11.752","0.002","87.526","0.01","88.241","0.01","86.453","0.009","686.17","0.19","90","0.5","90","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0731","0.0478","","","0.1154","0.1276","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529261","25.0795","0.0018","25.0795","0.0018","13.9752","0.0013","90","","90","","120","","7612.5","1","135","0.5","135","0.5","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H19 N O -","- C20 H19 N O -","- C360 H342 N18 O18 -","18","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0699","0.0483","","","0.1181","0.1262","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529262","14.0542","0.001","15.9871","0.0011","7.7187","0.0004","90","","91.974","0.004","90","","1733.25","0.19","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","1.54184","CuKα","","0.0915","0.0723","","","0.1985","0.2098","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529263","7.5352","0.0003","16.1007","0.0006","30.3669","0.0012","90","","90","","90","","3684.2","0.2","90","0.5","90","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0535","0.0433","","","0.1077","0.114","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529264","7.2261","0.0003","13.4245","0.0005","18.999","0.0009","90","","90","","90","","1843.03","0.13","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","1.54184","CuKα","","0.0662","0.0523","","","0.1154","0.1215","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529265","12.0196","0.0011","12.4522","0.0011","14.0202","0.0014","94.894","0.004","114.29","0.004","113.544","0.004","1673.4","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","2","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0998","0.0737","","","0.1912","0.2168","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529286","11.135","0.002","11.644","0.003","12.132","0.003","97.161","0.002","111.866","0.002","112.432","0.002","1282.5","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 O6 P2 -","- C60 H64 O6 P2 -","- C60 H64 O6 P2 -","1","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0716","0.0447","","","0.1002","0.1149","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529287","12.0579","0.0014","17.329","0.002","27.445","0.003","90","","91.263","0.001","90","","5733.3","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl12 O6 P2 -","- C50 H52 Cl12 O6 P2 -","- C200 H208 Cl48 O24 P8 -","4","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0582","0.0421","","","0.1021","0.1097","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529288","24.148","0.008","23.858","0.008","22.983","0.008","90","","117.759","0.004","90","","11717","7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C152 H96 O12 P4 -","- C152 H96 O12 P4 -","- C608 H384 O48 P16 -","4","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1705","0.142","","","0.3361","0.3457","","","","","","1.293","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529289","34.54","0.002","42.038","0.003","17.4446","0.0011","90","","100.248","0.003","90","","24925","3","120","2","120","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C152 H96 O12 P4 -","- C152 H96 O12 P4 -","- C1216 H768 O96 P32 -","8","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1835","0.1314","","","0.2918","0.3117","","","","","","1.233","","","","has coordinates","170994","2020-10-21","18:00:00",""
"1529290","25.827","0.005","22.684","0.004","22.259","0.004","90","","99.466","0.002","90","","12863","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C156 H100 Cl12 O12 P4 -","- C156 H100 Cl12 O12 P4 -","- C624 H400 Cl48 O48 P16 -","4","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1467","0.1035","","","0.2271","0.2534","","","","","","1.365","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529291","21.98","0.005","17.101","0.004","17.472","0.004","90","","90","","90","","6567","3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C164 H98 Cl6 O12 P4 -","- C164 H98 Cl6 O12 P4 -","- C328 H196 Cl12 O24 P8 -","2","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0771","0.058","","","0.1234","0.1303","","","","","","1.073","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529292","34.079","0.012","13.764","0.005","27.024","0.01","90","","103.463","0.004","90","","12328","8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C166 H100 Cl12 O12 P4 -","- C166 H100 Cl12 O12 P4 -","- C664 H400 Cl48 O48 P16 -","4","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.199","0.1447","","","0.3479","0.3803","","","","","","1.416","","","","has coordinates","170994","2020-10-21","18:00:00",""
"1529299","8.3147","0.0006","19.2037","0.0013","14.1567","0.001","90","","102.128","0.002","90","","2210","0.3","120","2","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H68 N6 O9 -","- C43 H67 N6 O9 -","- C86 H134 N12 O18 -","2","1","","Cayuela, Angelina; Kennedy, Stuart R.; Soriano, M. Laura; Jones, Christopher D.; Valcárcel, Miguel; Steed, Jonathan W.","Fluorescent carbon dot‒molecular salt hydrogels","Chem. Sci.","2015","6","11","6139","","10.1039/C5SC01859E","","","0.71073","MoKα","","0.0695","0.0572","","","0.1404","0.1492","","","","","","1.029","","","","has coordinates,has disorder","170980","2020-10-21","18:00:00",""
"1529300","8.5132","0.0005","21.0477","0.0013","7.2003","0.0004","90","","113.595","0.002","90","","1182.31","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N3 O2 -","- C13 H14 N3 O2 -","- C52 H56 N12 O8 -","4","1","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","","0.71073","MoKα","","0.0502","0.0463","","","0.129","0.1325","","","","","","1.064","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529301","6.2877","0.0007","8.8655","0.0009","12.0399","0.0013","102.993","0.005","91.548","0.006","92.63","0.006","652.79","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N3 O3 -","- C13 H18 N3 O3 -","- C26 H36 N6 O6 -","2","1","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","1.54178","CuKα","","0.049","0.0427","","","0.1156","0.1203","","","","","","1.059","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529302","5.0339","0.0009","37.994","0.007","7.136","0.0011","90","","110.533","0.011","90","","1278.1","0.4","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H29 Cl2 N6 O5 -","- C24 H29 Cl2 N6 O5 -","- C48 H58 Cl4 N12 O10 -","2","0.5","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","0.71073","MoKα","","0.0944","0.0751","","","0.1702","0.178","","","","","","1.188","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529303","14.0292","0.0011","22.3313","0.0016","9.5059","0.001","90","","92.95","0.002","90","","2974.2","0.4","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H26 F7.5 N6 Na0.5 O9 -","- C26 H26 F7.5 N6 Na0.5 O9 -","- C104 H104 F30 N24 Na2 O36 -","4","0.5","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","0.71073","MoKα","","0.1943","0.1119","","","0.2863","0.3458","","","","","","1.041","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529308","20.8774","0.0006","15.8099","0.0005","30.488","0.0009","90","","99.1261","0.0018","90","","9935.8","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","beta-to-beta Pt(II)-bridged diporphyrin","","- C106 H120 Cl6 N8 Pt -","- C106 H120 Cl6 N8 Pt -","- C424 H480 Cl24 N32 Pt4 -","4","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0946","0.0707","","","0.1632","0.1792","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529309","14.8426","0.0003","20.11","0.0004","21.2677","0.0004","63.3696","0.0007","78.2695","0.0007","71.6398","0.0007","5371.33","0.19","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","beta-to-beta Pt(II)-bridged Zn(II) diporphyrin","","- C111 H123 Cl9 N8 O4 Pt Zn2 -","- C111 H123 Cl9 N8 O4 Pt Zn2 -","- C222 H246 Cl18 N16 O8 Pt2 Zn4 -","2","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0946","0.0791","","","0.2151","0.2363","","","","","","1.011","","","","has coordinates,has disorder","170988","2020-10-21","18:00:00",""
"1529310","19.4832","0.001","20.2466","0.0016","21.267","0.003","86.76","0.02","81.4","0.02","67.434","0.011","7659.8","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","2-2, 18-18-doubly Pt(II)-bridged Ni(II) diporphyrin","","- C147.31 H169.64 Cl21.9 N8 Ni2 Pt2 -","- C147.31 H169.635 Cl21.9 N8 Ni2 Pt2 -","- C294.62 H339.27 Cl43.8 N16 Ni4 Pt4 -","2","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0701","0.0685","","","0.1561","0.157","","","","","","1.068","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529311","64.086","0.014","12.967","0.003","40.547","0.008","90","","102.6","0.005","90","","32883","12","93","2","93","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","2-2 Pt(II)(PPh3)2-bridged 18-18 directlylinked Ni(II) diporphyrin","","- C164.8 H174 Cl12 N8 Ni2 O P2 Pt -","- C164.8 H174 Cl12 N8 Ni2 O P2 Pt -","- C1318.4 H1392 Cl96 N64 Ni16 O8 P16 Pt8 -","8","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.1095","0.0947","","","0.2538","0.271","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529312","31.53","0.01","8.731","0.002","36.552","0.013","90","","113.582","0.011","90","","9222","5","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-2-directly-linked Zn(II) diporphyrin","","- C107 H113 Cl3 N10 Zn2 -","- C107 H113 Cl3 N10 Zn2 -","- C428 H452 Cl12 N40 Zn8 -","4","0.5","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0754","0.0553","","","0.147","0.1642","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529314","10.072","0.002","38.683","0.008","14.706","0.003","90","","98.28","0.03","90","","5670","2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 Co2 F12 N8 O5 -","- C52 H66 Co2 F12 N8 O5 -","- C208 H264 Co8 F48 N32 O20 -","4","1","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","0.71073","MoKα","","0.1184","0.0609","","","0.1429","0.1731","","","","","","1.0361","","","","has coordinates","170996","2020-10-21","18:00:00",""
"1529315","10.8136","0.0003","27.533","0.0007","29.5266","0.0008","90","","90","","90","","8791","0.4","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C44 H52 Co2 K2 N6 O4 -","- C44 H52 Co2 K2 N6 O4 -","- C352 H416 Co16 K16 N48 O32 -","8","","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","1.54178","CuKα","","0.0315","0.0288","","","0.0791","0.0811","","","","","","1.028","","","","has coordinates","170996","2020-10-21","18:00:00",""
"1529316","14.064","0.003","14.064","0.003","27.143","0.005","90","","90","","120","","4649.5","1.6","110","2","110","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C70 H79 Co2 N9 O4 -","- C70 H79 Co2 N9 O4 -","- C210 H237 Co6 N27 O12 -","3","0.5","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","0.71073","MoKα","","0.1305","0.0814","","","0.2058","0.2493","","","","","","1.052","","","","has coordinates,has disorder","170996","2020-10-21","18:00:00",""
"1529321","36.2659","0.0002","36.2659","0.0002","36.2659","0.0002","90","","90","","90","","47697.5","0.5","150","2","150","2","","","","","","","","4","F 4 3 2","F 4 2 3","209","","","","- C56 H68 N4 O13 -","- C56 H68 N4 O13 -","- C1344 H1632 N96 O312 -","24","0.25","","Barker, Emily C.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Becker, Thomas; Ogden, Mark I.","Investigating hydrogel formation using in situ variable-temperature scanning probe microscopy","Chem. Sci.","2015","6","11","6133","","10.1039/C5SC02196K","","","1.54178","CuKα","","0.1253","0.1157","","","0.3037","0.3188","","","","","","1.323","","","","has coordinates,has disorder","170985","2020-10-21","18:00:00",""
"1529322","11.3191","0.0005","11.464","0.0005","18.1291","0.0007","93.847","0.003","101.554","0.003","114.578","0.003","2065.9","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-isopropyl-1-(4-methoxyphenyl)-5-(o-tolyl)-1H-pyrrole-2-carboxylate","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","2","","Tan, Wei Wen; Yoshikai, Naohiko","Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles","Chem. Sci.","2015","6","11","6448","","10.1039/C5SC02322J","","","0.71073","MoKα","","0.0902","0.0515","","","0.1329","0.1745","","","","","","1.03","","","","has coordinates","170986","2020-10-21","18:00:00",""
"1529323","9.9721","0.0005","14.3477","0.0007","15.3171","0.001","90","","106.912","0.002","90","","2096.7","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-oxo-2,10b-diphenyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxylate","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Tan, Wei Wen; Yoshikai, Naohiko","Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles","Chem. Sci.","2015","6","11","6448","","10.1039/C5SC02322J","","","0.71073","MoKα","","0.0895","0.0528","","","0.1302","0.1661","","","","","","1.098","","","","has coordinates","170986","2020-10-21","18:00:00",""
"1529324","9.3667","0.0013","13.6119","0.0019","13.6823","0.0019","77.1774","0.0015","87.8299","0.0016","79.1523","0.0016","1670.6","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H19 Bi F9 N5 O9 S3 -","- C25 H19 Bi F9 N5 O9 S3 -","- C50 H38 Bi2 F18 N10 O18 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0646","0.0517","","","0.1394","0.1466","","","","","","1.053","","","","has coordinates","170991","2020-10-21","18:00:00",""
"1529325","11.6535","0.0004","14.5562","0.0005","14.588","0.0005","88.2712","0.0004","80.7875","0.0004","88.0482","0.0004","2440.47","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H51 F9 N5 O9 P S3 -","- C41 H51 F9 N5 O9 P S3 -","- C82 H102 F18 N10 O18 P2 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0651","0.0502","","","0.1278","0.1398","","","","","","1.047","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529326","15.0217","0.0006","18.4434","0.0008","31.1243","0.0013","93.909","0.0006","101.339","0.0006","99.3536","0.0006","8297.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.67 H56.5 As F9 N6.83 O9 S3 -","- C44.6667 H56.5 As F9 N6.83333 O9 S3 -","- C268 H339 As6 F54 N41 O54 S18 -","6","3","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0734","0.0451","","","0.1061","0.1208","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529327","14.0078","0.0005","17.6534","0.0006","22.0396","0.0007","90","","108.34","0.0004","90","","5173.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H51 F9 N5 O9 S3 Sb -","- C41 H51 F9 N5 O9 S3 Sb -","- C164 H204 F36 N20 O36 S12 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0324","0.0292","","","0.0761","0.0788","","","","","","1.036","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529328","13.2699","0.0007","15.788","0.0008","20.4958","0.001","76.0415","0.0007","87.922","0.0007","73.566","0.0007","3994.6","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34.5 F9 N7.5 O9 P S3 -","- C25 H31.5 F9 N6.5 O9 P S3 -","- C100 H126 F36 N26 O36 P4 S12 -","4","2","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0746","0.0544","","","0.1577","0.1744","","","","","","1.087","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529329","12.3457","0.0011","13.3802","0.0012","14.5721","0.0013","81.4461","0.0011","66.6056","0.001","72.0828","0.0011","2101.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 As F9 N8 O9 S3 -","- C28 H36 As F9 N8 O9 S3 -","- C56 H72 As2 F18 N16 O18 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0446","0.0364","","","0.096","0.1008","","","","","","1.056","","","","has coordinates","170991","2020-10-21","18:00:00",""
"1529330","28.5371","0.0009","13.8414","0.0005","21.8775","0.0007","90","","124.553","0.0013","90","","7117.1","0.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 F9 N6 O9 P S3 -","- C27 H22 F9 N6 O9 P S3 -","- C216 H176 F72 N48 O72 P8 S24 -","8","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","x-ray","0.71073","MoKα","","0.0671","0.0491","","","0.109","0.1157","","","","","","1.13","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529345","14.2754","0.0005","16.7152","0.0006","18.3801","0.0007","66.601","0.002","89.641","0.002","87.421","0.002","4020.7","0.3","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","(PNP)Ir=C=C(4-Me-C6H4)(Bpin)","","- C41 H59 B Ir N O2 P2 -","- C41 H59 B Ir N O2 P2 -","- C164 H236 B4 Ir4 N4 O8 P8 -","4","2","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.0375","0.0258","","","0.0536","0.0559","","","","","","0.997","","","","has coordinates,has disorder","170997","2020-10-21","18:00:00",""
"1529346","15.139","0.002","11.8769","0.0019","23.409","0.004","90","","95.654","0.002","90","","4188.6","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(Bpin)2","","- C38 H64 B2 Ir N O4 P2 -","- C38 H64 B2 Ir N O4 P2 -","- C152 H256 B8 Ir4 N4 O16 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","0.71073","MoKα","","0.0394","0.0296","","","0.0638","0.0678","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529347","14.781","0.005","26.065","0.009","12.544","0.005","90","","107.16","0.019","90","","4618","3","110.15","","110.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(pi-alkynylboronate)","","- C47 H61 B F4 Ir N O2 P2 -","- C47 H61 B F4 Ir N O2 P2 -","- C188 H244 B4 F16 Ir4 N4 O8 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.1014","0.0662","","","0.1512","0.1707","","","","","","1.015","","","","has coordinates,has disorder","170997","2020-10-21","18:00:00",""
"1529348","14.792","0.003","17.546","0.002","14.1242","0.0019","90","","110.435","0.006","90","","3435.1","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(H)(Bpin)","","- C32 H53 B Ir N O2 P2 -","- C32 H53 B Ir N O2 P2 -","- C128 H212 B4 Ir4 N4 O8 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.0382","0.0303","","","0.0707","0.0726","","","","","","0.925","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529364","15.5474","0.0012","9.9548","0.0008","19.6379","0.0015","90","","92.862","0.004","90","","3035.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni[k2-(CF2)4-](ItBu)[P(OiPr)3]2","","","- C24 H41 F8 N2 Ni O3 P -","- C24 H41 F8 N2 Ni O3 P -","- C96 H164 F32 N8 Ni4 O12 P4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0399","0.0326","","","0.0838","0.088","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529365","10.8851","0.0004","15.544","0.0006","18.9208","0.0007","90","","90","","90","","3201.4","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni[k2-(CF2)4-](SIPr)]","","","- C31 H38 F8 N2 Ni -","- C31 H38 F8 N2 Ni -","- C124 H152 F32 N8 Ni4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0318","0.0266","","","0.0643","0.0663","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529366","10.2361","0.0005","16.5042","0.0008","22.6115","0.0011","90","","90.96","0.002","90","","3819.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni[κ1-(cyclo-C4F7)](SIPr)(OTf)","","","- C35 H45 F10 N2 Ni O3 S -","- C35 H45 F10 N2 Ni O3 S -","- C140 H180 F40 N8 Ni4 O12 S4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0727","0.058","","","0.141","0.1513","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529367","9.7181","0.0004","18.216","0.0007","19.2228","0.0007","90","","92.18","0.002","90","","3400.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni[k3-(CF2)3CF(O2CCH3)-}(SIPr)]","","","- C33 H41 F7 N2 Ni O2 -","- C33 H41 F7 N2 Ni O2 -","- C132 H164 F28 N8 Ni4 O8 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.1053","0.0687","","","0.1292","0.1475","","","","","","1.062","","","","has coordinates","170982","2020-10-21","18:00:00",""
"1529368","16.5255","0.0008","10.6186","0.0005","20.8839","0.0009","90","","101.931","0.002","90","","3585.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 F8 N2 Ni O -","- C37 H46 F8 N2 Ni O -","- C148 H184 F32 N8 Ni4 O4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0376","0.0299","","","0.0782","0.0831","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529378","11.962","0.007","15.81","0.009","19.746","0.01","97.277","0.006","99.848","0.012","100.275","0.013","3572","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C87 H75 N4 O4 -","- C87 H75 N4 O4 -","- C174 H150 N8 O8 -","2","1","","Katoono, Ryo; Kawai, Shunsuke; Fujiwara, Kenshu; Suzuki, Takanori","Controllability of dynamic double helices: quantitative analysis of the inversion of a screw-sense preference upon complexation","Chem. Sci.","2015","6","11","6592","","10.1039/C5SC02614H","","","0.71075","MoKα","","","0.1048","","","","0.188","","","","","","1.314","","","","has coordinates","170987","2020-10-21","18:00:00",""
"1529389","11.4483","0.0007","43.06","0.002","24.522","0.0014","90","","90","","90","","12088.5","1.2","143","1","143","1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C68 H60 Ce Li4 N12 -","- C68 H60 Ce Li4 N12 -","- C544 H480 Ce8 Li32 N96 -","8","0.25","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.03","0.0248","","","0.061","0.0639","","","","","","1.078","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529390","13.9504","0.0007","16.2467","0.0009","19.0053","0.0011","83.136","0.003","83.696","0.003","84.993","0.003","4238.8","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H80 Ce N16 Na4 -","- C88 H80 Ce N16 Na4 -","- C176 H160 Ce2 N32 Na8 -","2","1","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.0649","0.0487","","","0.1125","0.1184","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529391","15.2003","0.0012","15.4668","0.0012","18.0353","0.0015","93.849","0.005","101.333","0.005","107.292","0.005","3933.7","0.6","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H75 Ce K5 N15 -","- C83 H75 Ce K5 N15 -","- C166 H150 Ce2 K10 N30 -","2","1","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.0879","0.0556","","","0.138","0.157","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529403","38.86","0.002","15.6626","0.0009","22.7308","0.0017","90","","125.774","0.003","90","","11224.8","1.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H79 Br2 N4 Si2 -","- C57 H79 Br2 N4 Si2 -","- C456 H632 Br16 N32 Si16 -","8","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.0867","0.0429","","","0.0811","0.095","","","","","","1.006","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529404","38.872","0.002","15.6801","0.0009","22.7851","0.0013","90","","125.507","0.002","90","","11305.4","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H79 I2 N4 Si2 -","- C57 H79 I2 N4 Si2 -","- C456 H632 I16 N32 Si16 -","8","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.042","0.0281","","","0.0644","0.0709","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529405","19.9019","0.0015","20.2022","0.0015","20.2072","0.0015","90","","99.189","0.004","90","","8020.3","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 B F21 I N4 Si2 -","- C84 H77 B F21 I N4 Si2 -","- C336 H308 B4 F84 I4 N16 Si8 -","4","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.0652","0.0371","","","0.0933","0.104","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529407","15.3682","0.0007","15.9908","0.0007","17.5923","0.001","72.813","0.003","69.832","0.004","68.859","0.003","3712.1","0.3","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C166 H146 B4 Cr2 N12 -","- C166 H146 B4 Cr2 N12 -","- C166 H146 B4 Cr2 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.1064","0.0822","","","0.2053","0.2222","","","","","","0.944","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529408","15.0589","0.0005","15.8311","0.0005","18.4096","0.0006","75.382","0.002","67.031","0.002","68.819","0.002","3736","0.2","100.02","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H90 B2 F48 Mn2 N12 -","- C134 H90 B2 F48 Mn2 N12 -","- C134 H90 B2 F48 Mn2 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0699","0.0599","","","0.1728","0.1831","","","","","","1.08","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529409","15.1719","0.001","15.9218","0.001","18.3985","0.0012","75.334","0.002","66.781","0.002","68.243","0.002","3763.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(TPyA)2 Fe2 (NMePh)L(2-)] 2BArF 2THF","","- C140 H102 B2 F48 Fe2 N12 O1.5 -","- C140 H102 B2 F48 Fe2 N12 O1.5 -","- C140 H102 B2 F48 Fe2 N12 O1.5 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0675","0.0631","","","0.1802","0.1864","","","","","","1.074","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529410","14.8476","0.0004","15.9017","0.0004","18.21","0.0005","75.56","0.002","67.648","0.002","68.82","0.002","3676.39","0.18","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","[(TPyA)2 Co2 (NMePh)L2-] 2BArF","","- C134 H76 B2 Co2 F48 N12 -","- C134 H90 B2 Co2 F48 N12 -","- C134 H90 B2 Co2 F48 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0934","0.0668","","","0.1773","0.1936","","","","","","1.066","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529411","15.17","0.0006","15.9112","0.0006","30.3415","0.0011","90.924","0.002","97.35","0.002","115.288","0.002","6546.9","0.4","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","[(TPyA)2 Cr2 (NMePh)L(3-)] 3(BPh4) 2(CH3CN)","","- C292 H264 B6 Cr4 N28 -","- C292 H264 B6 Cr4 N28 -","- C292 H264 B6 Cr4 N28 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.1117","0.0812","","","0.2147","0.2395","","","","","","1.008","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529425","23.8013","0.0006","23.8013","0.0006","13.6022","0.0005","90","","90","","120","","6673.3","0.3","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene hydrate octakis-dimethylacetamide solvate","","- C131 H158 N8 O15 P6 Pt3 -","- C123 H141 N6 O13 P6 Pt3 -","- C246 H282 N12 O26 P12 Pt6 -","2","0.166667","","Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.","Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene","Chem. Sci.","2015","6","12","6935","","10.1039/C5SC02776D","","","0.6998","synchrotron","","0.0828","0.0803","","","0.1886","0.1897","","","","","","1.203","","","","has coordinates,has disorder","170970","2020-10-21","18:00:00",""
"1529426","14.86","0.003","23.898","0.005","15.103","0.003","90","","98.87","0.03","90","","5299.3","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene dihydrate dimethylacetamide (2/1.3) methanol (1/0.5) solvate","","- C104.7 H101.78 N1.3 O9.84 P6 Pt3 -","- C104.7 H97.7 N1.3 O9.84 P6 Pt3 -","- C209.4 H195.4 N2.6 O19.68 P12 Pt6 -","2","1","","Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.","Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene","Chem. Sci.","2015","6","12","6935","","10.1039/C5SC02776D","","","0.6998","synchrotron","","0.0625","0.0474","","","0.1255","0.1373","","","","","","1.041","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529427","23.5964","0.0004","37.347","0.0006","40.0789","0.0006","90","","90","","90","","35319.7","1","110","0.1","110","0.1","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5-[4-[(2-methoxy-4-nitro-phenylcarbonyl)-amino]phenyl]-10,15,20-triphenyl porphyrin","","- C52.59 H37.19 Cl1.19 N6 O4 -","- C52.595 H37.18 Cl1.19 N6 O4 -","- C1683.04 H1189.76 Cl38.08 N192 O128 -","32","","","Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.","Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy","Chem. Sci.","2015","6","12","6847","","10.1039/C5SC02099A","","","0.7107","MoKα","","0.0712","0.0578","","","0.1587","0.1693","","","","","","1.035","","","","has coordinates","170979","2020-10-21","18:00:00",""
"1529428","12.9474","0.0005","15.8804","0.0005","17.3277","0.0006","98.752","0.003","92.264","0.003","106.821","0.003","3357.4","0.2","110","0.1","110","0.1","","","","","","","","9","P -1","-P 1","2","","5-{4-[Rhenium(I)tricarbonyl(3-picoline)-4-methyl-2,2?-bipyridine- 4?-carboxyamidyl]phenyl}-10,15,20-triphenylporphyrinatozinc(II) hexafluorophosphate","","- C67.5 H49 Cl5 F6 N8 O4 P Re Zn -","- C67.5 H49 Cl5 F6 N8 O4 P Re Zn -","- C135 H98 Cl10 F12 N16 O8 P2 Re2 Zn2 -","2","1","","Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.","Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy","Chem. Sci.","2015","6","12","6847","","10.1039/C5SC02099A","","","0.71073","MoKα","","0.0809","0.0659","","","0.1868","0.1986","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529471","11.7916","0.0018","13.46","0.002","18.239","0.003","86.434","0.003","88.133","0.003","69.802","0.002","2711.3","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H50 B2 F15 Mg N3 O3 -","- C53 H46 B2 F15 Mg N3 O3 -","- C106 H92 B4 F30 Mg2 N6 O6 -","2","1","","Lampland, Nicole L.; Pindwal, Aradhana; Neal, Steven R.; Schlauderaff, Shealyn; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydrosilylation of α,β-unsaturated esters","Chem. Sci.","2015","6","12","6901","","10.1039/C5SC02435H","","","0.71073","","","0.0777","0.0492","","","0.161","0.2004","","","","","","0.73","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529474","22.448","0.006","6.0248","0.0016","11.443","0.003","90","","97.517","0.005","90","","1534.3","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-2-(4-(tert-butyl)phenyl)-2-(iodomethyl)-3,3-dimethyloxirane","","- C15 H21 I O -","- C15 H21 I O -","- C60 H84 I4 O4 -","4","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0363","0.034","","","0.0876","0.0898","","","","","","1.063","","","","has coordinates","170962","2020-10-21","18:00:00",""
"1529475","10.31","0.01","7.955","0.008","11.875","0.012","90","","90.15","0.02","90","","973.9","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-1-(2,4-dinitrophenyl)-2-(2-(iodomethyl)-2-phenylcyclohexylidene)hydrazine","","- C19 H19 I N4 O4 -","- C19 H19 I N4 O4 -","- C38 H38 I2 N8 O8 -","2","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0414","0.0375","","","0.1044","0.1078","","","","","","1.043","","","","has coordinates","170962","2020-10-21","18:00:00",""
"1529476","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","4","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C396 H324 Br36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1237","0.1187","","0.2646","0.2614","0.264","","","","","","0.9439","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529477","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","5","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C54 H90 Br2 N2 O4 -","- C54 H90 Br2 N2 O4 -","- C972 H1620 Br36 N36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1872","0.1799","","0.3454","0.3418","0.3446","","","","","","0.9874","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529478","39.973","0.004","39.973","0.004","18.0631","0.0018","90","","90","","120","","24995","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0559","0.0506","","0.1033","0.1","0.103","","","","","","0.9136","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529479","39.896","0.004","39.896","0.004","18.0796","0.0017","90","","90","","120","","24922","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0755","0.0573","","0.1415","0.1264","0.1415","","","","","","0.9515","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529506","14.321","0.0008","8.9769","0.0005","11.71","0.0007","90","","91.66","0.002","90","","1504.78","0.15","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0232","0.0232","","","0.0611","0.0612","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529507","6.3155","0.0003","7.7433","0.0004","15.0935","0.0009","90","","100.579","0.003","90","","725.57","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0386","0.0382","","","0.0971","0.0976","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529508","14.3185","0.001","8.9738","0.0006","11.7148","0.0008","90","","91.675","0.003","90","","1504.61","0.18","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0233","0.0233","","","0.0593","0.0594","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529509","6.309","0.002","7.753","0.002","15.117","0.005","90","","100.736","0.014","90","","726.5","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0237","0.0234","","","0.0573","0.0576","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530394","16.1937","0.0015","43.708","0.004","33.799","0.003","90","","92.7924","0.0013","90","","23894","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C273 H261 Cl14 N O4 -","- C273 H261 Cl14 N O4 -","- C1092 H1044 Cl56 N4 O16 -","4","1","","Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus","π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener","Chem. Sci.","2015","6","12","7072","","10.1039/C5SC02547H","","","0.71073","MoKα","","0.2912","0.1421","","","0.3422","0.3803","","","","","","1.675","","","","has coordinates,has disorder","170956","2020-10-21","18:00:00",""
"1530395","12.9767","0.0009","10.3514","0.0006","15.6662","0.0009","90","","105.739","0.005","90","","2025.5","0.2","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Br2 -","- C46 H52 Br2 -","- C92 H104 Br4 -","2","0.5","","Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus","π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener","Chem. Sci.","2015","6","12","7072","","10.1039/C5SC02547H","","","0.71073","MoKα","","0.0726","0.0383","","","0.0832","0.101","","","","","","1.021","","","","has coordinates","170956","2020-10-21","18:00:00",""
"1530396","12.3629","0.0016","12.8888","0.0019","13.1011","0.0018","90","","90","","90","","2087.6","0.5","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Marriott, Katie E. R.; Bhaskaran, Lakshmi; Wilson, Claire; Medarde, Marisa; Ochsenbein, Stefan T.; Hill, Stephen; Murrie, Mark","Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii)","Chem. Sci.","2015","6","12","6823","","10.1039/C5SC02854J","","","0.71073","MoKα","","0.0543","0.0438","","","0.0949","0.1","","","","","","1.067","","","","has coordinates","170958","2020-10-21","18:00:00",""
"1530691","23.591","0.002","10.436","0.0011","15.7392","0.0016","90","","101.118","0.002","90","","3802.2","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(sIMes)2CoCl","","- C42 H52 Cl Co N4 -","- C42 H52 Cl Co N4 -","- C168 H208 Cl4 Co4 N16 -","4","1","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0889","0.0514","","","0.1257","0.1461","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530692","29.581","0.003","11.9267","0.0011","32.317","0.003","90","","101.11","0.002","90","","11187.9","1.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Co(sMes)2][BPh4]","","- C66 H72 B Co N4 -","- C66 H72 B Co N4 -","- C528 H576 B8 Co8 N32 -","8","1","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0969","0.0543","","","0.141","0.1669","","","","","","1.012","","","","has coordinates","170955","2020-10-21","18:00:00",""
"1530693","14.0529","0.001","14.0529","0.001","18.2643","0.0018","90","","90","","90","","3606.9","0.5","140","2","140","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[Co(IAd)2][BArF4]","","- C78 H76 B Co F24 N4 -","- C78 H76 B Co F24 N4 -","- C156 H152 B2 Co2 F48 N8 -","2","0.25","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0948","0.0656","","","0.1841","0.2084","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531037","45.887","0.008","45.887","0.008","45.887","0.008","90","","90","","90","","96620","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C180 H48 O32 Zr6 -","- C180 H48 O32 Zr6 -","- C720 H192 O128 Zr24 -","4","0.0208333","","Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin","The first chiral diene-based metal‒organic frameworks for highly enantioselective carbon‒carbon bond formation reactions","Chem. Sci.","2015","6","12","7163","","10.1039/C5SC02100F","","","0.518","","","0.0559","0.0523","","","0.1431","0.1472","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531038","11.5288","0.0005","12.5203","0.0005","21.155","0.0011","73.555","0.004","75.604","0.004","74.65","0.004","2774","0.2","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C107 H168 Fe2 N14 P2 Si6 -","- C107 H168 Fe2 N14 P2 Si6 -","- C107 H168 Fe2 N14 P2 Si6 -","1","0.5","","Metsänen, Toni T.; Gallego, Daniel; Szilvási, Tibor; Driess, Matthias; Oestreich, Martin","Peripheral mechanism of a carbonyl hydrosilylation catalysed by an SiNSi iron pincer complex","Chem. Sci.","2015","6","12","7143","","10.1039/C5SC02855H","","x-ray","1.54184","CuKα","","0.0635","0.0452","","","0.1026","0.1162","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1531040","7.9908","0.0003","17.1771","0.0006","11.9692","0.0005","90","","100.208","0.0018","90","","1616.87","0.11","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F N2 O5 V -","- C16 H16 F N2 O5 V -","- C64 H64 F4 N8 O20 V4 -","4","1","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0426","0.0332","","","0.0816","0.0872","","","","","","1.039","","","","has coordinates","170976","2020-10-21","18:00:00",""
"1531041","12.1706","0.0006","11.0345","0.0005","23.8844","0.0012","90","","100.883","0.0017","90","","3149.9","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N2 O8 V2 -","- C30 H44 N2 O8 V2 -","- C120 H176 N8 O32 V8 -","4","0.5","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0602","0.0409","","","0.0942","0.1048","","","","","","1.052","","","","has coordinates,has disorder","170976","2020-10-21","18:00:00",""
"1531042","14.7897","0.0004","13.1867","0.0003","7.8841","0.0002","90","","90","","90","","1537.62","0.07","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N O4 V -","- C15 H22 N O4 V -","- C60 H88 N4 O16 V4 -","4","1","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0317","0.0289","","","0.0725","0.074","","","","","","1.072","","","","has coordinates","170976","2020-10-21","18:00:00",""
"1531044","7.0717","0.0001","8.8439","0.0001","19.5443","0.0003","90","","96.556","0.001","90","","1214.33","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C60 H44 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0766","0.0746","","","0.223","0.2278","","","","","","0.961","","","","has coordinates,has disorder","170977","2020-10-21","18:00:00",""
"1531045","16.8074","0.0019","10.9989","0.0012","16.649","0.002","90","","92.018","0.003","90","","3075.9","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38.5 H29 Cl O4 -","- C38.5 H29 Cl O4 -","- C154 H116 Cl4 O16 -","4","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","0.71073","MoKα","","0.0758","0.054","","","0.1364","0.1527","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1531046","8.1626","0.0001","12.2302","0.0002","11.0742","0.0001","90","","101.402","0.001","90","","1083.72","0.02","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C54 H46 N2 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0371","0.0365","","","0.0941","0.1","","","","","","1.107","","","","has coordinates","170977","2020-10-21","18:00:00",""
"1531316","12.9997","0.001","21.3361","0.0015","13.502","0.001","90","","106.398","0.002","90","","3592.6","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-diphenyl-9H-carbazol-3-ol","","- C24 H17 N O -","- C24 H17 N O -","- C192 H136 N8 O8 -","8","2","","Poudel, Tej Narayan; Lee, Yong Rok","Construction of highly functionalized carbazoles via condensation of an enolate to a nitro group","Chem. Sci.","2015","6","12","7028","","10.1039/C5SC02407B","","","0.71073","MoKα","","0.1063","0.0484","","","0.0942","0.1209","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531937","12.7422","0.0009","26.6786","0.0018","28.5026","0.0019","99.098","0.001","90.144","0.001","90.509","0.001","9566.9","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(Et2O)TlPd(CNArDipp2]BArF","","- C98 H96 B F24 N2 O Pd Tl -","- C98 H96 B F24 N2 O Pd Tl -","- C392 H384 B4 F96 N8 O4 Pd4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.079","0.0454","","","0.0803","0.0887","","","","","","1.029","","","","has coordinates,has disorder","287935","2023-12-01","15:06:59",""
"1531938","12.5519","0.0005","20.2591","0.0008","21.647","0.0008","105.597","0.001","102.325","0.001","97.308","0.001","5079.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","[(eta6-Tol)2TlPd(CNArDipp2)2]BArF","","","- C108 H102 B F24 N2 Pd Tl -","- C108 H102 B F24 N2 Pd Tl -","- C216 H204 B2 F48 N4 Pd2 Tl2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0362","0.0294","","","0.0653","0.0694","","","","","","1.029","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531939","11.7798","0.001","29.62","0.002","20.9358","0.0016","90","","90.39","0.004","90","","7304.7","1","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[AgPt(CNArDipp2)2(C6H6)]2[u-AgOTf]2(OTf)","","","- C152 H172 Ag4 F12 N4 O12 Pt2 S4 -","- C152 H172 Ag4 F12 N4 O12 Pt2 S4 -","- C304 H344 Ag8 F24 N8 O24 Pt4 S8 -","2","0.5","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.1016","0.0503","","","0.081","0.0977","","","","","","1.003","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531940","18.6061","0.001","19.7722","0.0011","20.9507","0.0014","90","","106.515","0.002","90","","7389.5","0.8","150","2","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[AgPt(CNArDipp2)2(C6H6)]OTf","","","- C81 H92 Ag F3 N2 O3 Pt S -","- C81 H92 Ag F3 N2 O3 Pt S -","- C324 H368 Ag4 F12 N8 O12 Pt4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0681","0.0419","","","0.0885","0.1032","","","","","","1.078","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531941","13.95","0.0008","16.2777","0.001","17.6213","0.001","66.887","0.003","70.018","0.003","71.465","0.003","3379.6","0.4","100","2","100","","","","","","","","","8","P -1","-P 1","2","[TlPt(CNArDipp2)2]OTf","","","- C71 H94 F3 N2 O5 Pt S Tl -","- C63 H74 F3 N2 O3 Pt S Tl -","- C126 H148 F6 N4 O6 Pt2 S2 Tl2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0468","0.0344","","","0.0737","0.079","","","","","","1.057","","","","has coordinates","170960","2020-10-21","18:00:00",""
"1531942","15.5936","0.0016","21.315","0.002","24.141","0.003","90","","90","","90","","8023.9","1.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPd(CNArDipp2)2(THF)]OTf","","","- C93 H134 Ag F3 N2 O10.5 Pd S -","- C67 H82 Ag F3 N2 O4 Pd S -","- C268 H328 Ag4 F12 N8 O16 Pd4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0821","0.0618","","","0.1691","0.1833","","","","","","1.069","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531943","15.6478","0.0015","21.2503","0.0019","24.077","0.002","90","","90","","90","","8006.1","1.2","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPt(CNArDipp2)2(THF)]OTf","","","- C79 H106 Ag F3 N5 O4 Pt S -","- C67 H82 Ag F3 N2 O4 Pt S -","- C268 H328 Ag4 F12 N8 O16 Pt4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0453","0.0359","","","0.0851","0.0888","","","","","","1.033","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531944","14.5289","0.0018","15.663","0.002","17.673","0.002","96.662","0.004","109.412","0.004","94.019","0.004","3742.1","0.8","100","","100","","","","","","","","","8","P -1","-P 1","2","[AgPd(CNArDipp2)2(C7H8)]OTf","","","- C84 H98 Ag F3 N2 O3 Pd S -","- C84 H98 Ag F3 N2 O3 Pd S -","- C168 H196 Ag2 F6 N4 O6 Pd2 S2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0542","0.035","","","0.0696","0.0756","","","","","","1.028","","","","has coordinates","170960","2020-10-21","18:00:00",""
"1531945","12.7326","0.0012","26.642","0.003","28.428","0.003","99.2","0.004","90.224","0.004","90.514","0.004","9518.8","1.7","100","","100","","","","","","","","","8","P -1","-P 1","2","[(Et2O)TlPt(CNArDipp2)2]BArF","","","- C98 H96 B F24 N2 O Pt Tl -","- C98 H96 B F24 N2 O Pt Tl -","- C392 H384 B4 F96 N8 O4 Pt4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0435","0.0305","","","0.0671","0.0724","","","","","","1.01","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531946","14.6265","0.0007","20.6542","0.001","31.1986","0.0015","76.597","0.002","79.378","0.003","89.566","0.003","9005.2","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","[TlPt(CNArDipp2)2]BArF","","","- C94 H86 B F24 N2 Pt Tl -","- C94 H86 B F24 N2 Pt Tl -","- C376 H344 B4 F96 N8 Pt4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.1261","0.0601","","","0.103","0.1209","","","","","","1.013","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531947","10.4482","0.0008","10.4482","0.0008","14.7573","0.0013","90","","90","","90","","1611","0.2","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C3 H7 Cl3 I0 N O0 Pb -","- C3 H7 Cl3 N Pb -","- C24 H56 Cl24 N8 Pb8 -","8","1","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong","Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission","Chem. Sci.","2015","6","12","7222","","10.1039/C5SC02501J","","","0.71073","MoKα","","0.0304","0.0295","","","0.0669","0.0675","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531948","21.2016","0.0013","15.9211","0.0011","26.4092","0.0015","90","","91.811","0.006","90","","8910","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H180 Cl59 N16 O2 Pb21 -","- C80 H176 Cl59 N16 O Pb21 -","- C160 H352 Cl118 N32 O2 Pb42 -","2","0.5","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong","Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission","Chem. Sci.","2015","6","12","7222","","10.1039/C5SC02501J","","","0.71073","MoKα","","0.1043","0.0938","","","0.2254","0.2311","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532452","10.141","0.003","11.619","0.004","11.643","0.004","86.263","0.004","69.71","0.003","76.551","0.004","1251.3","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H34 I2 N4 Ni O4 S2 -","- C15 H34 I2 N4 Ni O4 S2 -","- C30 H68 I4 N8 Ni2 O8 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0479","0.0365","","","0.0901","0.0955","","","","","","1.047","","","","has coordinates,has disorder","170963","2020-10-21","18:00:00",""
"1532453","7.5419","0.0017","8.0477","0.0018","16.687","0.004","78.174","0.003","82.069","0.003","86.421","0.003","981.2","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Co N2 O6 S2 -","- C15 H29 Co N2 O6 S2 -","- C30 H58 Co2 N4 O12 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0496","0.0379","","","0.0851","0.093","","","","","","1.119","","","","has coordinates,has disorder","170963","2020-10-21","18:00:00",""
"1532454","7.486","0.007","8.04","0.008","16.74","0.016","78.165","0.013","82.235","0.013","86.603","0.013","976.6","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Fe N2 O6 S2 -","- C15 H28 Fe N2 O6 S2 -","- C30 H56 Fe2 N4 O12 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0814","0.0576","","","0.1555","0.1647","","","","","","1.126","","","","has coordinates","170963","2020-10-21","18:00:00",""
"1532455","19.683","0.003","12.1661","0.0019","19.517","0.003","90","","106.346","0.003","90","","4484.7","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H56 Cu2 N4 O12 S4 -","- C30 H56 Cu2 N4 O12 S4 -","- C120 H224 Cu8 N16 O48 S16 -","4","0.5","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0627","0.0418","","","0.0993","0.1059","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532456","9.6252","0.0008","12.3461","0.001","12.2335","0.001","90","","103.606","0.004","90","","1413","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N2 O2 S2 -","- C11 H24 N2 O2 S2 -","- C44 H96 N8 O8 S8 -","4","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.074","0.0666","","","0.1657","0.1731","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532465","15.9874","0.0006","18.0758","0.0004","18.1871","0.0006","90","","107.85","0.004","90","","5002.8","0.3","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C47.5 H62.5 F6 N1.5 O6.5 P -","- C47.5 H62.5 F6 N1.5 O6.5 P -","- C190 H250 F24 N6 O26 P4 -","4","1","","Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei","Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities","Chem. Sci.","2015","6","12","6731","","10.1039/C5SC03251B","","","1.54178","CuKα","","0.1088","0.0907","","","0.2874","0.3221","","","","","","1.349","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532466","43.2165","0.0013","43.2165","0.0013","12.4664","0.0004","90","","90","","120","","20163.7","1.1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C138 H129 F18 N3 O18 P3 -","- C138 H129 F18 N3 O18 P3 -","- C828 H774 F108 N18 O108 P18 -","6","0.333333","","Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei","Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities","Chem. Sci.","2015","6","12","6731","","10.1039/C5SC03251B","","","1.54178","CuKα","","0.0862","0.0712","","","0.2035","0.2243","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532468","30.664","0.005","17.225","0.005","27.371","0.005","90","0.005","105.9","0.005","90","0.005","13904","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H116 Cd2 N24 O25 -","- C48 H24 Cd2 N12 O12 -","- C192 H96 Cd8 N48 O48 -","4","0.5","","Sun, Chun-Yi; To, Wai-Pong; Wang, Xin-Long; Chan, Kaai-Tung; Su, Zhong-Min; Che, Chi-Ming","Metal‒organic framework composites with luminescent gold(iii) complexes. Strongly emissive and long-lived excited states in open air and photo-catalysis","Chem. Sci.","2015","6","12","7105","","10.1039/C5SC02216A","","","0.71069","MoKα","","0.1411","0.0723","","","0.1556","0.1677","","","","","","1.044","","","","has coordinates,has disorder","170964","2020-10-21","18:00:00",""
"1532469","10.806","0.002","18.897","0.004","21.557","0.004","108.61","0.03","90.43","0.03","103.93","0.03","4032.1","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.5 H111.5 Ge2 N2 Si2 -","- C91.5 H111.5 Ge2 N2 Si2 -","- C183 H223 Ge4 N4 Si4 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0828","0.0609","","","0.1581","0.1722","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532470","13.373","0.003","21.643","0.004","15.884","0.003","90","","102.62","0.03","90","","4486.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H122 Ge2 N2 O2 Si2 -","- C104 H122 Ge2 N2 O2 Si2 -","- C208 H244 Ge4 N4 O4 Si4 -","2","0.5","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.1042","0.0699","","","0.1581","0.1796","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532471","10.783","0.002","11.465","0.002","16.298","0.003","97.01","0.03","91.76","0.03","92.77","0.03","1996.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H57 Ge N Si -","- C46 H57 Ge N Si -","- C92 H114 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0496","0.0405","","","0.0955","0.0996","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532472","11.543","0.0004","23.7164","0.0009","16.3022","0.0006","90","","97.979","0.001","90","","4419.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Ge N Si -","- C52 H61 Ge N Si -","- C208 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0919","0.0477","","","0.0942","0.1088","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532473","10.319","0.002","18.286","0.004","22.437","0.005","90","","91.27","0.03","90","","4232.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Ge N Si -","- C49 H61 Ge N Si -","- C196 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0838","0.0678","","","0.1839","0.1968","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532474","10.2741","0.0005","14.6818","0.0007","14.6417","0.0007","90","","102.077","0.003","90","","2159.71","0.18","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H63 Ge N Si -","- C50 H63 Ge N Si -","- C100 H126 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0588","0.0426","","","0.0897","0.0965","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532475","9.942","0.002","15.413","0.003","28.793","0.006","90","","97.18","0.03","90","","4377.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H67 Ge N Si -","- C52 H67 Ge N Si -","- C208 H268 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0599","0.0501","","","0.1404","0.1476","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532476","10.673","0.002","12.534","0.003","15.493","0.003","82.27","0.03","85.09","0.03","73.63","0.03","1968","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H57 N Si Sn -","- C46 H57 N Si Sn -","- C92 H114 N2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0415","0.0396","","","0.1038","0.1052","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532477","10.2591","0.0009","13.6505","0.001","17.3164","0.0015","99.111","0.007","105.293","0.008","95.189","0.007","2287.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N Si Sn -","- C52 H68 N Si Sn -","- C104 H136 N2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.1164","0.0668","","","0.1044","0.1259","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532478","10.0813","0.0017","15.796","0.003","28.096","0.004","90","","96.916","0.013","90","","4441.6","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Ge N Si -","- C53 H61 Ge N Si -","- C212 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.2768","0.0925","","","0.1923","0.2723","","","","","","0.914","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532479","10.1088","0.001","15.7379","0.0015","28.106","0.002","90","","96.853","0.008","90","","4439.5","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 N Si Sn -","- C53 H61 N Si Sn -","- C212 H244 N4 Si4 Sn4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.1223","0.0813","","","0.1748","0.1985","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532480","10.003","0.0006","15.4017","0.0012","28.92","0.002","90","","97.698","0.002","90","","4415.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H65 Ge N Si -","- C52 H65 Ge N Si -","- C208 H260 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0746","0.0452","","","0.1035","0.1155","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532481","11.374","0.0004","23.3065","0.0008","16.3439","0.0005","90","","97.891","0.002","90","","4291.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H63 Ge N Si -","- C49 H63 Ge N Si -","- C196 H252 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0698","0.0457","","","0.0989","0.1093","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532482","10.731","0.002","14.446","0.003","15.647","0.003","77.83","0.03","78.54","0.03","69.06","0.03","2194.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H62 Cl Ge N Si -","- C49 H62 Cl Ge N Si -","- C98 H124 Cl2 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7109","Synchrotron","","0.0741","0.0635","","","0.1721","0.1805","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532483","10.399","0.0004","14.2109","0.0005","15.4524","0.0005","90.483","0.001","101.026","0.001","105.118","0.001","2159.72","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H63 Ge N O Si -","- C48 H63 Ge N O Si -","- C96 H126 Ge2 N2 O2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0617","0.044","","","0.1047","0.1127","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532484","14.604","0.003","15.84","0.003","20.773","0.004","88.61","0.03","82.84","0.03","84.99","0.03","4749.2","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H70 N2 O Si Sn -","- C53 H70 N2 O Si Sn -","- C212 H280 N8 O4 Si4 Sn4 -","4","2","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7109","Synchrotron","","0.0377","0.034","","","0.0857","0.0877","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532485","15.0392","0.0003","12.4994","0.0002","26.2128","0.0004","90","","93.127","0.002","90","","4920.17","0.15","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H154 Ge2 N2 O2 Si2 -","- C112 H154 Ge2 N2 O2 Si2 -","- C224 H308 Ge4 N4 O4 Si4 -","2","0.5","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","1.54184","CuKα","","0.0439","0.0391","","","0.1","0.1043","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532486","15.4827","0.0008","16.4448","0.0009","23.7823","0.0011","72.311","0.004","88.259","0.004","62.908","0.005","5094.1","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H158 N2 O2 Si2 Sn2 -","- C112 H158 N2 O2 Si2 Sn2 -","- C224 H316 N4 O4 Si4 Sn4 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0726","0.0495","","","0.1182","0.1342","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532490","6.2435","0.0005","13.8921","0.0009","14.2338","0.001","100.533","0.004","92.139","0.005","100.164","0.005","1191.63","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B2 D3 N2 O2 -","- C27 H30 B2 D3 N2 O2 -","- C54 H60 B4 D6 N4 O4 -","2","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1799","0.0771","","","0.1471","0.1726","","","","","","0.928","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532491","12.0335","0.0018","13.357","0.002","17.045","0.003","73.663","0.004","81.968","0.004","79.686","0.004","2575","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 B2 N2 O2 -","- C30 H34 B2 N2 O2 -","- C120 H136 B8 N8 O8 -","4","2","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1718","0.0858","","","0.185","0.2381","","","","","","1.046","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532492","9.498","0.002","9.09","0.002","30.647","0.007","90","","94.119","0.003","90","","2639.1","1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 B2 N2 O2 -","- C31 H36 B2 N2 O2 -","- C124 H144 B8 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.0938","0.0595","","","0.1419","0.1579","","","","","","1.013","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532493","9.5066","0.0006","9.248","0.0005","30.632","0.002","90","","94.399","0.003","90","","2685.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 B2 Br N2 O2 -","- C30 H33 B2 Br N2 O2 -","- C120 H132 B8 Br4 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1277","0.0583","","","0.105","0.1268","","","","","","0.986","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532494","8.8862","0.0004","21.985","0.0011","14.0495","0.0007","90","","96.2349","0.0019","90","","2728.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 B2 N2 O2 -","- C32 H39 B2 N2 O2 -","- C128 H156 B8 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.095","0.0502","","","0.1347","0.1777","","","","","","1.093","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532495","14.978","0.002","16.438","0.003","29.361","0.005","90","","90","","90","","7229","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H52 I P2 Pd -","- C33 H52 I P2 Pd -","- C264 H416 I8 P16 Pd8 -","8","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0343","0.029","","","0.059","0.0613","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532496","14.0602","0.0006","28.6171","0.0012","16.9031","0.0007","90","","92.0331","0.0016","90","","6796.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 B F24 I P2 Pd -","- C65 H64 B F24.009 I P2 Pd -","- C260 H256 B4 F96.036 I4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0412","0.032","","","0.0725","0.0763","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532497","12.8203","0.0013","14.834","0.0015","19.174","0.0019","90","","106.641","0.0015","90","","3493.7","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 I P2 Pd -","- C33 H53 I P2 Pd -","- C132 H212 I4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0278","0.0245","","","0.0495","0.0505","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532498","17.0891","0.0017","14.014","0.0014","18.4206","0.0018","90","","100.081","0.003","90","","4343.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 I N P2 Pd -","- C40 H60 I N P2 Pd -","- C160 H240 I4 N4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0334","0.03","","","0.0772","0.0792","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532499","11.8764","0.0006","14.433","0.0008","25.1741","0.0014","101.297","0.0016","93.5784","0.0016","111.2","0.0015","3903","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H57 I O P2 Pd -","- C39 H57 I O P2 Pd -","- C156 H228 I4 O4 P8 Pd4 -","4","2","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0556","0.0389","","","0.0886","0.0934","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532500","10.0901","0.0007","23.7955","0.0017","31.205","0.002","90","","90.532","0.002","90","","7492","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H72 B F24 I P3 Pd -","- C68 H72 B F24 I P3 Pd -","- C272 H288 B4 F96 I4 P12 Pd4 -","4","2","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0658","0.0632","","","0.1651","0.1675","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532501","14.0266","0.0006","15.2323","0.0006","21.3735","0.0009","90","","90","","90","","4566.6","0.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H67 F3 O4 P2 Pd S2 -","- C44 H67 F3 O4 P2 Pd S2 -","- C176 H268 F12 O16 P8 Pd4 S8 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0331","0.026","","","0.0561","0.059","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532502","11.297","0.003","11.59","0.003","36.768","0.01","90","","92.926","0.004","90","","4808","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 P2 Pd S2 -","- C50 H74 P2 Pd S2 -","- C200 H296 P8 Pd4 S8 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0557","0.0392","","","0.0754","0.0807","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1533007","9.5023","0.0003","12.6103","0.0004","15.1418","0.0005","97.784","0.003","90.79","0.003","100.069","0.003","1768.68","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H88 Mo4 O8 P2 Sm2 -","- C75 H88 Mo4 O8 P2 Sm2 -","- C75 H88 Mo4 O8 P2 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0715","0.0516","","","0.1266","0.1389","","","","","","0.997","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533008","9.4563","0.0007","12.5189","0.0013","14.9787","0.0013","84.903","0.008","71.669","0.007","76.285","0.007","1635","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H80 Mo4 O8 P2 Yb2 -","- C68 H80 Mo4 O8 P2 Yb2 -","- C68 H80 Mo4 O8 P2 Yb2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0654","0.0392","","","0.0708","0.0772","","","","","","0.945","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533009","9.6185","0.0007","10.2667","0.0007","17.5096","0.0013","83.519","0.006","77.307","0.006","78.461","0.006","1648.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H86 Mo2 O4 P4 Sm2 -","- C68 H86 Mo2 O4 P4 Sm2 -","- C68 H86 Mo2 O4 P4 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.086","0.0708","","","0.1908","0.2034","","","","","","1.062","","","","has coordinates","170975","2020-10-21","18:00:00",""
"1533010","10.13","0.002","25.686","0.005","15.724","0.003","90","","96.36","0.03","90","","4066.2","1.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C81 H105 Mo3 O6 P5 Sm3 -","- C81 H105 Mo3 O6 P5 Sm3 -","- C162 H210 Mo6 O12 P10 Sm6 -","2","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.1889","0.1092","","","0.25","0.2946","","","","","","0.98","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533011","11.1671","0.0008","12.7931","0.001","14.7276","0.0009","98.952","0.006","110.227","0.006","95.319","0.006","1925.7","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H106 Mo2 O4 P6 Sm2 -","- C78 H106 Mo2 O4 P6 Sm2 -","- C78 H106 Mo2 O4 P6 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","x-ray","1.54178","CuKα","","0.0368","0.0343","","","0.0799","0.0815","","","","","","1.066","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533012","11.1924","0.0003","12.6285","0.0003","14.6371","0.0004","99.581","0.002","110.455","0.002","94.847","0.002","1888.44","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H106 Mo2 O4 P6 Yb2 -","- C78 H106 Mo2 O4 P6 Yb2 -","- C78 H106 Mo2 O4 P6 Yb2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0447","0.041","","","0.1014","0.1033","","","","","","1.084","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533373","37.1846","0.0013","37.1846","0.0013","9.743","0.0003","90","","90","","90","","13471.6","0.8","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C28 H42 Au Cl3 N4 O -","- C28 H40 Au Cl3 N4 O -","- C448 H640 Au16 Cl48 N64 O16 -","16","","","Ramsay, William J.; Foster, Jonathan A.; Moore, Katharine L.; Ronson, Tanya K.; Mirgalet, Raphaël J.; Jefferson, David A.; Nitschke, Jonathan R.","AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6integrally gilded cages","Chem. Sci.","2015","6","12","7326","","10.1039/C5SC03065J","","","1.54178","CuKα","","0.0539","0.0472","","","0.1188","0.1237","","","","","","1.044","","","","has coordinates,has disorder","170965","2020-10-21","18:00:00",""
"1534135","12.2117","0.0003","18.0562","0.0006","18.2926","0.0006","90","","103.741","0.002","90","","3918","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 Cl2 N2 P Ru -","- C40 H59 Cl2 N2 P Ru -","- C160 H236 Cl8 N8 P4 Ru4 -","4","1","","Lummiss, Justin A. M.; Higman, Carolyn S.; Fyson, Devon L.; McDonald, Robert; Fogg, Deryn E.","The divergent effects of strong NHC donation in catalysis","Chem. Sci.","2015","6","12","6739","","10.1039/C5SC02592C","","","1.54178","CuKα","","0.1068","0.0517","","","0.1084","0.133","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540648","20.3261","0.0011","54.668","0.003","16.5827","0.0009","90","","90","","90","","18426.5","1.7","88","2","88","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C81 H141 K2 La2 N4 O13 Si4 -","- C81 H141 K2 La2 N4 O13 Si4 -","- C648 H1128 K16 La16 N32 O104 Si32 -","8","1","","Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J.","Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants","Chem. Sci.","2015","6","12","7267","","10.1039/C5SC02486B","","","0.71073","MoKα","","0.065","0.0553","","","0.1258","0.1305","","","","","","1.211","","","","has coordinates","170858","2020-10-21","18:00:00",""
"1553083","19.6299","0.0009","19.4566","0.0009","12.265","0.0006","90","","101.938","0.002","90","","4583.1","0.4","150","2","150.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 B F10 N2 -","- C23 H21 B F10 N2 -","- C184 H168 B8 F80 N16 -","8","2","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0873","0.0512","","","0.1218","0.1391","","","","","","1.0948","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553084","11.5423","0.0018","12.863","0.002","15.801","0.002","90","","93.409","0.006","90","","2341.8","0.6","150","2","149.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18.711 B F10 N2 -","- C23 H18.71 B F10 N2 -","- C92 H74.84 B4 F40 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.1322","0.0754","","","0.154","0.1836","","","","","","1.0563","","","","has coordinates,has disorder","233278","2020-10-21","18:00:00",""
"1553085","16.756","0.003","19.073","0.004","15.93","0.003","90","","90","","90","","5091","1.7","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C29 H39 B N2 -","- C29 H39 B N2 -","- C232 H312 B8 N16 -","8","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.1108","0.061","","","0.1439","0.1722","","","","","","1.024","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553086","8.4021","0.0011","10.0498","0.0013","9.2882","0.001","90","","93.645","0.006","90","","782.7","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 B N2 -","- C18 H25 B N2 -","- C36 H50 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0434","0.0401","","","0.1031","0.1063","","","","","","1.037","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553087","9.2454","0.0005","7.0797","0.0004","9.5352","0.0005","90","","100.812","0.002","90","","613.04","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H23 B N2 -","- C13 H23 B N2 -","- C26 H46 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.044","0.0428","","","0.1202","0.1217","","","","","","1.049","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553088","7.4085","0.0006","9.5348","0.0006","20.4481","0.0016","90","","97.479","0.003","90","","1432.14","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0455","0.0366","","","0.0896","0.0958","","","","","","1.028","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553089","8.8877","0.0003","14.4614","0.0005","10.8854","0.0004","90","","91.815","0.002","90","","1398.38","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B Cl2 N2 -","- C13 H21 B Cl2 N2 -","- C52 H84 B4 Cl8 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0394","0.0341","","","0.0911","0.0947","","","","","","1.062","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553090","10.6012","0.0007","10.7318","0.0007","16.8601","0.0011","90","","105.327","0.002","90","","1849.9","0.2","149","2","149","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C37 H20 B2 Cl2 F20 N2 -","- C37 H20 B2 Cl2 F20 N2 -","- C74 H40 B4 Cl4 F40 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0615","0.0628","","","","","","1.053","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553091","11.0408","0.0011","6.6868","0.0006","16.9825","0.0015","90","","97.038","0.005","90","","1244.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 B P -","- C11 H24 B P -","- C44 H96 B4 P4 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0515","0.0369","","","0.0781","0.0836","","","","","","1.058","","","","has coordinates","233278","2020-10-21","18:00:00",""