# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-02T18:07:20+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical Communications (Cambridge, United Kingdom)') AND volume = 49 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
"7108809","9.0913","0.0005","10.8004","0.0004","16.2056","0.0009","90","","91.343","0.002","90","","1590.79","0.14","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Penkett, Clive S.; Brann, Paul J.; Woolford, Jason A.; Kahan, Rachel J.","Confirming the existence of π-allyl-palladium intermediates during the reaction of meta photocycloadducts with palladium(II) compounds","Chemical Communications (Cambridge, United Kingdom)","2013","49","11","1106","1108","10.1039/c2cc37708j","","x-ray","0.71073","MoKα","","0.0595","0.0427","","","0.0981","0.1086","","","","","","0.966","","","","has coordinates","210828","2020-10-21","18:00:00",""
"7108835","11.1712","0.0011","12.066","0.0012","17.6929","0.0018","70.489","0.002","83.942","0.002","86.093","0.002","2234","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C104 H92 N12 O12 -","4","2","","Wang, Zikun; Bi, Xihe; Liao, Peiqiu; Liu, Xu; Dong, Dewen","Cu(II)-catalyzed cyclization of α-diazo-β-oxoamides with amines leading to pyrrol-3(2H)-ones","Chemical Communications (Cambridge, United Kingdom)","2013","49","13","1309","1311","10.1039/c2cc38473f","","","0.71073","MoKα","","0.0878","0.0613","","","0.1574","0.1748","","","","","","1.031","","","","has coordinates","210832","2020-10-21","18:00:00",""
"7108840","11.5684","0.0002","10.3734","0.00015","13.8042","0.0003","90","","113.134","0.002","90","","1523.35","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H32 N4 O6 -","- C34 H32 N4 O6 -","- C68 H64 N8 O12 -","2","1","","Li, Xuejian; Zhao, Yanyan; Qu, Haijun; Mao, Zhenjun; Lin, Xufeng","Organocatalytic asymmetric multicomponent reactions of aromatic aldehydes and anilines with β-ketoesters: facile and atom-economical access to chiral tetrahydropyridines","Chemical Communications (Cambridge, United Kingdom)","2013","49","14","1401","1403","10.1039/c2cc38349g","","","1.54184","CuKα","","0.0406","0.0364","","","0.0937","0.0983","","","","","","1.051","","","","has coordinates","210831","2020-10-21","18:00:00",""
"7108841","7.9799","0.0005","8.7756","0.0007","17.288","0.002","87.612","0.01","85.963","0.009","78.796","0.006","1184.15","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C60 H60 N4 O2 -","2","2","","Li, Xuejian; Zhao, Yanyan; Qu, Haijun; Mao, Zhenjun; Lin, Xufeng","Organocatalytic asymmetric multicomponent reactions of aromatic aldehydes and anilines with β-ketoesters: facile and atom-economical access to chiral tetrahydropyridines","Chemical Communications (Cambridge, United Kingdom)","2013","49","14","1401","1403","10.1039/c2cc38349g","","","0.71073","MoKα","","0.1374","0.1109","","","0.2762","0.3099","","","","","","1.115","","","","has coordinates","210831","2020-10-21","18:00:00",""
"7108844","31.5586","0.0014","16.6386","0.0008","13.6571","0.0006","90","","90","","90","","7171.2","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C82 H90 Cl4 N4 O3 Pt2 -","- C82 H90 Cl4 N4 O3 Pt2 -","- C328 H360 Cl16 N16 O12 Pt8 -","4","0.5","","Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming","Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1497","1499","10.1039/c2cc37862k","","","1.54178","CuKα","","0.0526","0.0481","","","0.1395","0.1433","","","","","","1.087","","","","has coordinates","210839","2020-10-21","18:00:00",""
"7108845","13.5492","0.0019","15.83","0.002","17.648","0.002","95.117","0.003","110.674","0.003","102.438","0.003","3401.3","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H82 Cl2 N4 O2 Pt2 -","- C83 H82 Cl2 N4 O2 Pt2 -","- C166 H164 Cl4 N8 O4 Pt4 -","2","1","","Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming","Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1497","1499","10.1039/c2cc37862k","","","1.54178","CuKα","","0.0364","0.0358","","","0.0987","0.0994","","","","","","1.053","","","","has coordinates,has disorder","210829","2020-10-21","18:00:00",""
"7108846","12.306","0.0001","15.6594","0.0002","13.3532","0.0002","90","","92.9406","0.0006","90","","2569.83","0.05","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 B Cl Fe N2 O2 -","- C25 H34 B Cl Fe N2 O2 -","- C100 H136 B4 Cl4 Fe4 N8 O8 -","4","1","","Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon","Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1509","1511","10.1039/c3cc38073d","","","0.71073","MoKα","","0.0577","0.0358","","0.1039","0.081","0.1039","","","","","","0.919","","","","has coordinates","210727","2020-10-21","18:00:00",""
"7108847","13.9947","0.0002","16.4994","0.0002","14.7643","0.0002","90","","95.8847","0.0006","90","","3391.17","0.08","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 B Cl Fe N2 O2 -","- C35 H44 B Cl Fe N2 O2 -","- C140 H176 B4 Cl4 Fe4 N8 O8 -","4","1","","Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon","Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1509","1511","10.1039/c3cc38073d","","","0.71073","MoKα","","0.086","0.047","","0.1316","0.0955","0.1314","","","","","","0.9605","","","","has coordinates","210727","2020-10-21","18:00:00",""
"7108848","12.1918","0.0003","16.3393","0.0004","17.0192","0.0005","87.9149","0.0009","87.6232","0.0009","78.9774","0.001","3323.51","0.15","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H56 B2 F24 Fe N2 O2 -","- C67 H56 B2 F24 Fe N2 O2 -","- C134 H112 B4 F48 Fe2 N4 O4 -","2","1","","Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon","Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1509","1511","10.1039/c3cc38073d","","","0.71073","MoKα","","0.1026","0.0714","","0.1827","0.1546","0.1827","","","","","","0.8912","","","","has coordinates,has disorder","210727","2020-10-21","18:00:00",""
"7108851","9.8967","0.0007","10.936","0.0008","11.3457","0.0007","65.996","0.005","66.173","0.006","65.291","0.006","977.72","0.13","195","1","195","1","","","","","","","","6","P -1","-P 1","2","(Rh2(p-F-PhCO2)4(phz))","","","- C40 H24 F4 N2 O8 Rh2 -","- C40 H24 F4 N2 O8 Rh2 -","- C40 H24 F4 N2 O8 Rh2 -","1","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","powder diffraction","","0.79909","synchrotron","","0.00427","","","","","","0.00425","0.00966","3.8091","","","","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108852","9.977","0.003","11.801","0.004","20.095","0.006","90","","90.418","0.004","90","","2365.9","1.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 F4 N4 O12 Rh2 -","- C52 H34 F4 N4 O12 Rh2 -","- C104 H68 F8 N8 O24 Rh4 -","2","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","","","0.7107","MoKα","","","0.0818","","","","0.1645","","","","","","1.127","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108853","9.9825","0.0008","10.9906","0.0008","11.4527","0.0007","65.866","0.005","66.143","0.006","65.088","0.007","998.22","0.14","195","1","195","1","","","","","","","","6","P -1","-P 1","2","(Ru2(p-F-PhCO2)4(phz))","","","- C40 H24 F4 N2 O8 Ru2 -","- C40 H24 F4 N2 O8 Ru2 -","- C40 H24 F4 N2 O8 Ru2 -","1","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","powder diffraction","","0.79902","synchrotron","","0.00901","","","","","","0.00901","0.01905","4.1355","","","","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108854","10.064","0.003","11.778","0.004","20.097","0.006","90","","91.221","0.005","90","","2381.6","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 F4 N4 O12 Ru2 -","- C52 H34 F4 N4 O12 Ru2 -","- C104 H68 F8 N8 O24 Ru4 -","2","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","","","0.71075","MoKα","","","0.0941","","","","0.2245","","","","","","1.249","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108858","46.2462","0.0008","15.5937","0.0003","37.854","0.003","90","","123.814","0.009","90","","22681","3","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H162 B8 F32 Fe4 N62 O12 -","- C184 H162 B8 F32 Fe4 N62 O12 -","- C736 H648 B32 F128 Fe16 N248 O48 -","4","0.5","","Ferguson, Alan; Squire, Marie A.; Siretanu, Diana; Mitcov, Dmitri; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","A face-capped [Fe~4~L~4~]^8+^ spin crossover tetrahedral cage.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1597","1599","10.1039/c3cc00012e","","","1.54178","CuKα","","0.1571","0.1416","","","0.4086","0.4335","","","","","","1.6","","","","has coordinates,has disorder","210744","2020-10-21","18:00:00",""
"7108859","46.627","0.007","15.8882","0.0013","40.415","0.005","90","","127.15","0.02","90","","23864","8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C144 H107 B8 F32 Fe4 N48 O12 -","- C144 H107 B8 F32 Fe4 N48 O12 -","- C576 H428 B32 F128 Fe16 N192 O48 -","4","0.5","","Ferguson, Alan; Squire, Marie A.; Siretanu, Diana; Mitcov, Dmitri; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","A face-capped [Fe~4~L~4~]^8+^ spin crossover tetrahedral cage.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1597","1599","10.1039/c3cc00012e","","","0.7107","MoKα","","0.2379","0.127","","","0.3073","0.3563","","","","","","0.919","","","","has coordinates,has disorder","210744","2020-10-21","18:00:00",""
"7108871","13.9586","0.0009","18.4257","0.0014","28.917","0.003","90","","90","","90","","7437.4","1.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H88 Dy3 Fe6 N31 O27 -","- C42 H88 Dy3 Fe6 N31 O27 -","- C168 H352 Dy12 Fe24 N124 O108 -","4","0.5","","Schmidt, Sebastian; Prodius, Denis; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.","Unprecedented chemical transformation: crystallographic evidence for 1,1,2,2-tetrahydroxyethane captured within an Fe~6~Dy~3~ single molecule magnet","Chemical Communications (Cambridge, United Kingdom)","2013","49","17","1696","1698","10.1039/c2cc38006d","","","0.71073","MoKα","","0.1225","0.061","","","0.1191","0.1364","","","","","","1.014","","","","has coordinates,has disorder","210830","2020-10-21","18:00:00",""
"7108888","6.3649","0.0005","14.6411","0.0011","15.9618","0.0012","90","","101.004","0.009","90","","1460.1","0.2","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl4 Fe N2 O2 -","- C7 H11 Cl4 Fe N2 O2 -","- C28 H44 Cl16 Fe4 N8 O8 -","4","1","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.04","0.035","","","0.0879","0.091","","","","","","1.073","","","","has coordinates","209773","2020-10-21","18:00:00",""
"7108889","12.6816","0.0009","26.2169","0.0014","15.5404","0.001","90","","109.243","0.005","90","","4878.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H64 Cl28 Fe10 N12 O21 -","- C36 H48 Cl28 Fe10 N12 O16 -","- C72 H96 Cl56 Fe20 N24 O32 -","2","0.5","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0857","0.0596","","","0.1594","0.1726","","","","","","0.999","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108890","12.7495","0.0004","15.532","0.0005","26.1211","0.0007","90.846","0.002","91.244","0.002","108.346","0.002","4907.3","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H70 Cl28 Fe10 N12 O19 -","- C41 H60 Cl27.36 Fe10 N12 O19 -","- C82 H120 Cl54.72 Fe20 N24 O38 -","2","1","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0809","0.0701","","","0.2023","0.2169","","","","","","1.06","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108891","13.3201","0.0006","13.3201","0.0006","24.738","0.0013","90","","90","","120","","3801.1","0.3","200","2","200","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C36 H68 Cl16 Fe6 N12 O23 -","- C36 H66 Cl16 Fe6 N12 O23 -","- C72 H132 Cl32 Fe12 N24 O46 -","2","0.166667","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0583","0.0457","","","0.1159","0.1226","","","","","","1.066","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108892","14.9606","0.0004","15.5623","0.0004","27.4325","0.0009","93.562","0.002","101.381","0.002","115.135","0.002","5591.2","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H58.86 F42 Fe3 N19 O46.43 S14 -","- C50 H58 F42 Fe3 N19 O46.43 S14 -","- C100 H116 F84 Fe6 N38 O92.86 S28 -","2","1","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0956","0.0579","","","0.1464","0.1603","","","","","","0.993","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108893","24.8363","0.0012","13.7847","0.0007","27.4404","0.0019","90","","90","","90","","9394.5","0.9","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H68 Cl25 Fe9 N6 O20 -","- C48 H64 Cl25 Fe9 N6 O20 -","- C192 H256 Cl100 Fe36 N24 O80 -","4","0.5","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.1064","0.0768","","","0.1977","0.2165","","","","","","1.032","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108907","8.2167","0.0016","8.929","0.0018","21.221","0.004","97.25","0.03","94.2","0.03","107.69","0.03","1461.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N O6 S -","- C32 H33 N O6 S -","- C64 H66 N2 O12 S2 -","2","1","","Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction","Chemical Communications (Cambridge, United Kingdom)","2013","49","20","2058","2060","10.1039/c3cc38264h","","","0.71073","MoKα","","0.0845","0.051","","","0.1222","0.139","","","","","","1.015","","","","has coordinates","210833","2020-10-21","18:00:00",""
"7108908","9.2454","0.0018","12.053","0.002","14.31","0.003","69.9","0.03","86.02","0.03","87.63","0.03","1493.6","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N O6 S -","- C32 H32 N O6 S -","- C64 H64 N2 O12 S2 -","2","1","","Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction","Chemical Communications (Cambridge, United Kingdom)","2013","49","20","2058","2060","10.1039/c3cc38264h","","","0.71073","MoKα","","0.0998","0.0564","","","0.1345","0.155","","","","","","1.042","","","","has coordinates,has disorder","210833","2020-10-21","18:00:00",""
"7108916","19.0155","0.0008","8.21","0.0003","11.645","0.0005","90","","107.291","0.004","90","","1735.83","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O2 S -","- C20 H20 O2 S -","- C80 H80 O8 S4 -","4","1","","Liu, Bangyu; Zheng, Gang; Liu, Xiaocui; Xu, Cong; Liu, Jingxin; Wang, Mang","Regio- and stereoselective synthesis of 2-cyclopentenones via a hydrogenolysis-terminated Heck cyclization of β-alkylthio dienones.","Chemical Communications (Cambridge, United Kingdom)","2013","49","22","2201","2203","10.1039/c3cc37571d","","","0.71073","MoKα","","0.0575","0.0427","","","0.1047","0.1137","","","","","","1.091","","","","has coordinates","209795","2020-10-21","18:00:00",""
"7108923","14.8642","0.0005","15.0687","0.0005","17.7081","0.0006","68.847","0.003","77.695","0.003","63.804","0.002","3312.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H90 Fe2 P10 Sm2 -","- C60 H90 Fe2 P10 Sm2 -","- C120 H180 Fe4 P20 Sm4 -","2","1","","Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.","P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes","Chemical Communications (Cambridge, United Kingdom)","2013","49","22","2183","2185","10.1039/c3cc38841g","","","0.71073","MoKα","","0.0452","0.03","","","0.0648","0.0694","","","","","","0.988","","","","has coordinates","210835","2020-10-21","18:00:00",""
"7108924","14.357","0.003","28.55","0.006","17.985","0.004","90","","95.08","0.03","90","","7343","3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H106 Fe2 P10 Sm2 -","- C68 H106 Fe2 P10 Sm2 -","- C272 H424 Fe8 P40 Sm8 -","4","1","","Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.","P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes","Chemical Communications (Cambridge, United Kingdom)","2013","49","22","2183","2185","10.1039/c3cc38841g","","","0.71073","MoKα","","0.0434","0.0337","","","0.0834","0.0868","","","","","","0.968","","","","has coordinates,has disorder","210835","2020-10-21","18:00:00",""
"7108936","17.1841","0.0009","12.4648","0.0007","6.7661","0.0004","90","","90","","90","","1449.27","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","","Ahn, Jinho; Park, Sunhong; Lee, Ji Ha; Jung, Sung Ho; Moon, Seung-Jin; Jung, Jong Hwa","Fluorescent hydrogels formed by CH-π and π-π interactions as the main driving forces: an approach toward understanding the relationship between fluorescence and structure","Chemical Communications (Cambridge, United Kingdom)","2013","49","21","2109","2111","10.1039/c2cc37249e","","","0.71073","MoKα","","0.0817","0.0718","","","0.1438","0.1478","","","","","","1.215","","","","has coordinates","210827","2020-10-21","18:00:00",""
"7108937","8.3304","0.0006","16.7637","0.0012","20.9646","0.0015","90","","92.043","0.004","90","","2925.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C136 H104 N40 O16 -","8","2","","Ahn, Jinho; Park, Sunhong; Lee, Ji Ha; Jung, Sung Ho; Moon, Seung-Jin; Jung, Jong Hwa","Fluorescent hydrogels formed by CH-π and π-π interactions as the main driving forces: an approach toward understanding the relationship between fluorescence and structure","Chemical Communications (Cambridge, United Kingdom)","2013","49","21","2109","2111","10.1039/c2cc37249e","","","0.71073","MoKα","","0.1072","0.0588","","","0.164","0.1906","","","","","","1.111","","","","has coordinates","210827","2020-10-21","18:00:00",""
"7109399","11.2601","0.0009","20.5822","0.0015","23.0476","0.0014","90","","109.272","0.003","90","","5042.1","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 B20 P2 Ru S3 -","- C40 H51 B20 P2 Ru S3 -","- C160 H204 B80 P8 Ru4 S12 -","4","1","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.0885","0.0474","","","0.102","0.118","","","","","","0.967","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109400","12.272","0.008","20.26","0.013","21.918","0.012","90","","115.42","0.03","90","","4922","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H194 B120 O3 P4 Ru4 S16 -","- C96 H194 B120 O3 P4 Ru4 S16 -","- C96 H194 B120 O3 P4 Ru4 S16 -","1","0.25","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.0859","0.0566","","","0.086","0.0913","","","","","","1.021","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109401","11.1116","0.0011","21.748","0.002","20.813","0.002","90","","93.837","0.002","90","","5018.3","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C160 H206 B80 O5 P8 Ru4 S8 -","- C160 H206 B80 O5 P8 Ru4 S8 -","- C160 H206 B80 O5 P8 Ru4 S8 -","1","0.25","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.1242","0.0495","","","0.1271","0.1629","","","","","","1.05","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109402","11.9674","0.0011","20.4772","0.0019","21.38","0.0016","90","","115.859","0.004","90","","4714.7","0.7","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H190 B120 O5 P4 Ru4 S12 -","- C96 H190 B120 O5 P4 Ru4 S12 -","- C96 H190 B120 O5 P4 Ru4 S12 -","1","0.25","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.0942","0.0558","","","0.1132","0.1204","","","","","","1.007","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109776","9.095","0.002","26.61","0.007","11.307","0.003","90","","110.389","0.014","90","","2565.1","1.1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H48 N2 -","- C74 H48 N2 -","- C148 H96 N4 -","2","0.5","","Baglai, Iaroslav; Maraval, Valérie; Bijani, Christian; Saffon-Merceron, Nathalie; Voitenko, Zoia; Volovenko, Yulian M.; Chauvin, Remi","Enhanced π-frustration in carbo-benzenic chromophores","Chemical Communications (Cambridge, United Kingdom)","2013","49","75","8374","8376","10.1039/c3cc43204a","","","0.71073","MoKα","","0.1355","0.0596","","","0.1265","0.1572","","","","","","1.005","","","","has coordinates","210985","2020-10-21","18:00:00",""
"7109777","12.939","0.006","15.04","0.007","18.094","0.008","80.329","0.019","78.847","0.018","74.329","0.018","3301","3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C79.5 H51.5 Cl6.5 N2 -","- C79.5 H51.5 Cl6.5 N2 -","- C159 H103 Cl13 N4 -","2","1","","Baglai, Iaroslav; Maraval, Valérie; Bijani, Christian; Saffon-Merceron, Nathalie; Voitenko, Zoia; Volovenko, Yulian M.; Chauvin, Remi","Enhanced π-frustration in carbo-benzenic chromophores","Chemical Communications (Cambridge, United Kingdom)","2013","49","75","8374","8376","10.1039/c3cc43204a","","","0.71073","MoKα","","0.2177","0.0884","","","0.2237","0.2965","","","","","","0.989","","","","has coordinates,has disorder","210985","2020-10-21","18:00:00",""
"7109789","41.814","0.008","8.942","0.0016","22.936","0.005","90","","105.692","0.004","90","","8256","3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 F12 N6 P2 Pb S2 -","- C32 H40 F12 N6 P2 Pb S2 -","- C256 H320 F96 N48 P16 Pb8 S16 -","8","1","","Wang, Fan; Ni, Chun-Yan; Liu, Quan; Li, Fu-Ling; Shi, Jing; Li, Hong-Xi; Lang, Jian-Ping","[Pb(Tab)2(4,4'-bipy)](PF6)2: two-step ambient temperature quantitative solid-state synthesis, structure and dielectric properties","Chemical Communications (Cambridge, United Kingdom)","2013","49","81","9248","9250","10.1039/c3cc45066j","","","0.7107","MoKα","","0.051","0.0462","","","0.0985","0.1004","","","","","","1.174","","","","has coordinates,has disorder","210993","2020-10-21","18:00:00",""
"7109792","18.456","0.003","14.233","0.002","12.5508","0.0019","90","","90","","90","","3296.9","0.9","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H47 O2 P3 Pd -","- C32 H47 O2 P3 Pd -","- C128 H188 O8 P12 Pd4 -","4","1","","Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao","A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes","Chemical Communications (Cambridge, United Kingdom)","2013","49","68","7498","7500","10.1039/c3cc43131b","","","0.71073","MoKα","","0.0279","0.0241","","","0.0591","0.061","","","","","","1.022","","","","has coordinates","210990","2020-10-21","18:00:00",""
"7109793","11.7501","0.0014","14.1473","0.0017","18.6","0.002","90","","101.676","0.001","90","","3027.9","0.6","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 O2 P2 Pd -","- C30 H46 O2 P2 Pd -","- C120 H184 O8 P8 Pd4 -","4","1","","Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao","A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes","Chemical Communications (Cambridge, United Kingdom)","2013","49","68","7498","7500","10.1039/c3cc43131b","","","0.71073","MoKα","","0.1051","0.0607","","","0.0701","0.0777","","","","","","1.255","","","","has coordinates","210990","2020-10-21","18:00:00",""
"7109798","8.6444","0.0015","15.088","0.003","15.404","0.003","90","","90","","90","","2009.1","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N5 O3 -","- C20 H25 N5 O3 -","- C80 H100 N20 O12 -","4","1","","Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao","β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas","Chemical Communications (Cambridge, United Kingdom)","2013","49","79","8943","8945","10.1039/c3cc44336a","","","0.71073","MoKα","","0.047","0.0443","","","0.1172","0.1193","","","","","","1.033","","","","has coordinates","211022","2020-10-21","18:00:00",""
"7109978","17.002","0.009","8.839","0.005","20.361","0.012","90","","112.614","0.0019","90","","2825","3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H34 N P Si -","- C34 H34 N P Si -","- C136 H136 N4 P4 Si4 -","4","1","","Kano, Naokazu; Yanaizumi, Kazuhide; Meng, Xiangtai; Havare, Nizam; Kawashima, Takayuki","Synthesis of a phosphine imide bearing a hydrosilane moiety, and its water-driven reduction to a phosphine","Chemical Communications (Cambridge, United Kingdom)","2013","49","88","10373","10375","10.1039/c3cc43955k","","","0.7107","MoKα","","0.0529","0.0402","","","0.0354","0.039","","","","","","0.79","","","","has coordinates","275224","2022-05-08","22:07:33",""
"7109979","8.745","0.002","16.531","0.004","16.017","0.004","90","","97.8059","0.0011","90","","2294","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N P Si -","- C25 H32 N P Si -","- C100 H128 N4 P4 Si4 -","4","1","","Kano, Naokazu; Yanaizumi, Kazuhide; Meng, Xiangtai; Havare, Nizam; Kawashima, Takayuki","Synthesis of a phosphine imide bearing a hydrosilane moiety, and its water-driven reduction to a phosphine","Chemical Communications (Cambridge, United Kingdom)","2013","49","88","10373","10375","10.1039/c3cc43955k","","","0.7107","MoKα","","0.0363","0.0335","","","0.0908","0.0928","","","","","","1.076","","","","has coordinates","275224","2022-05-08","22:07:33",""
"7112365","8.7524","0.0004","15.1376","0.0007","15.8697","0.0008","90","","90","","90","","2102.58","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N5 O2 S -","- C20 H25 N5 O2 S -","- C80 H100 N20 O8 S4 -","4","1","","Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao","β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas","Chemical Communications (Cambridge, United Kingdom)","2013","49","79","8943","8945","10.1039/c3cc44336a","","","0.71073","MoKα","","0.0411","0.036","","","0.104","0.1088","","","","","","0.814","","","","has coordinates","211022","2020-10-21","18:00:00",""
"7116512","37.896","0.006","12.929","0.002","12.973","0.002","90","","95.194","0.01","90","","6330.1","1.7","193","2","193","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C43 H65 F24 N7 O P4 Pb2 S4 -","- C43 H65 F24 N7 O P4 Pb2 S4 -","- C172 H260 F96 N28 O4 P16 Pb8 S16 -","4","1","","Wang, Fan; Ni, Chun-Yan; Liu, Quan; Li, Fu-Ling; Shi, Jing; Li, Hong-Xi; Lang, Jian-Ping","[Pb(Tab)2(4,4'-bipy)](PF6)2: two-step ambient temperature quantitative solid-state synthesis, structure and dielectric properties","Chemical Communications (Cambridge, United Kingdom)","2013","49","81","9248","9250","10.1039/c3cc45066j","","","0.7107","MoKα","","0.1003","0.0962","","","0.2331","0.2359","","","","","","1.068","","","","has coordinates","210993","2020-10-21","18:00:00",""