# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-17T16:47:47+01:00
# 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 Science') 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
"1513606","34.2658","0.0014","34.2658","0.0014","21.8681","0.0014","90","","90","","120","","22236.3","1.9","173","","173","","","","","","","","","5","P 65","P 65","170","","","","- C126 H84 La3 N3 O21 -","- C126 H84 La3 N3 O21 -","- C756 H504 La18 N18 O126 -","6","1","","Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy","Chemical Science","2014","5","2","660","","10.1039/c3sc52177j","","","0.71075","MoKα","","","0.0905","","","","0.2573","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513607","11.6097","0.0008","13.0379","0.0009","17.3875","0.0012","68.361","0.004","72.03","0.004","64.875","0.004","2178.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MesDPBPhHNiSiH2Ph","","","- C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 -","- C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 -","- C106 H104 B2 Ni2 O P4 Si2 -","4","2","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.0467","0.0358","","","0.0831","0.0904","","","","","","1.036","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513608","12.1452","0.0006","20.3316","0.001","21.4335","0.0011","69.986","0.003","77.017","0.003","82.18","0.003","4835.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MesDPBPhHNiSiHPh2","","","- C60 H54 B Ni P2 Si -","- C60 H54 B Ni P2 Si -","- C240 H216 B4 Ni4 P8 Si4 -","4","2","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.0686","0.0442","","","0.1065","0.1192","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513609","12.9166","0.0008","15.2418","0.0009","22.8933","0.0015","90","","105.256","0.003","90","","4348.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MesDPBPhNiCHOC6H5","","","- C55.5 H45 B Ni O P2 -","- C55.5 H45 B Ni O P2 -","- C222 H180 B4 Ni4 O4 P8 -","4","1","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.071","0.0385","","","0.0935","0.1058","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513610","18.1014","0.0009","17.6622","0.0009","22.4297","0.0013","90","","91.229","0.006","90","","7169.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 N12 S Si6 U2 -","- C67 H98 N12 S Si6 U2 -","- C268 H392 N48 S4 Si24 U8 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.1668","0.1092","","","0.2646","0.3128","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513611","18.1375","0.0003","17.5716","0.0004","22.6446","0.0005","90","","90.9355","0.0019","90","","7216","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 N12 Se Si6 U2 -","- C67 H98 N12 Se Si6 U2 -","- C268 H392 N48 Se4 Si24 U8 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.0958","0.047","","","0.0629","0.0742","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513612","22.725","0.004","19.812","0.0007","30.101","0.005","90","","145.19","0.04","90","","7736","8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.25 H51 N6 S2 Si3 U -","- C35.25 H51 N6 S2 Si3 U -","- C282 H408 N48 S16 Si24 U8 -","8","2","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.1129","0.0728","","","0.1718","0.1945","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513613","14.1895","0.0009","12.4113","0.0005","20.2745","0.001","90","","108.259","0.006","90","","3390.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 N12 S2 Si6 U2 -","- C60 H90 N12 S2 Si6 U2 -","- C120 H180 N24 S4 Si12 U4 -","2","0.5","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.101","0.0706","","","0.1627","0.182","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513614","10.5247","0.0003","18.506","0.0005","17.3041","0.0006","90","","91.612","0.003","90","","3368.99","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 N6 Na O Si3 U -","- C30 H45 N6 Na O Si3 U -","- C120 H180 N24 Na4 O4 Si12 U4 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.0959","0.0496","","","0.0799","0.0925","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513615","12.8807","0.0005","26.5173","0.0009","16.1073","0.0006","90","","105.997","0.004","90","","5288.6","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H45 K Mg N2 -","- C22 H45 K Mg N2 -","- C132 H270 K6 Mg6 N12 -","6","3","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.0729","0.0468","","","0.0923","0.0975","","","","","","0.805","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513616","25.779","0.003","25.754","0.003","16.135","0.002","90","","94.132","0.011","90","","10684","2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H180 K4 Mg4 N8 -","- C88 H180 K4 Mg4 N8 -","- C352 H720 K16 Mg16 N32 -","4","1","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.1576","0.1495","","","0.3941","0.4047","","","","","","1.718","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513617","37.852","0.002","37.852","0.002","11.585","0.0006","90","","90","","120","","14374.9","1.3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H342 K6 Mg6 N12 -","- C168.024 H342 K6 Mg6 N12 -","- C504.072 H1026 K18 Mg18 N36 -","3","0.166667","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","0.71073","MoKα","","0.1005","0.0621","","","0.1475","0.1734","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513618","37.8751","0.0015","37.8751","0.0015","11.7865","0.0004","90","","90","","120","","14642.8","1","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C189 H282 K6 Mg6 N12 -","- C189.3 H282 K6 Mg6 N12 -","- C567.9 H846 K18 Mg18 N36 -","3","0.166667","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.0991","0.0842","","","0.243","0.2627","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513619","16.9437","0.0006","16.1245","0.0005","23.5059","0.0008","90","","90","","90","","6422","0.4","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C62 H106 Mg2 N6 Na4 -","- C62 H106 Mg2 N6 Na4 -","- C248 H424 Mg8 N24 Na16 -","4","1","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.54184","CuKα","","0.0903","0.0575","","","0.1371","0.1523","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513620","6.9434","0.0014","18.717","0.004","9.893","0.002","90","","95.19","0.002","90","","1280.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 -","- C14 H18 N4 -","- C56 H72 N16 -","4","1","","Huh, Chan Woo; Aubé, Jeffrey","Aryl nitrenium ions from N-alkyl-N-arylamino-diazonium precursors: synthesis and reactivity","Chemical Science","2014","5","2","699","","10.1039/c3sc52805g","","","0.71073","MoKα","","0.0574","0.0538","","","0.1475","0.1503","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513621","10.677","0.003","12.392","0.003","18.636","0.004","90","","90.104","0.005","90","","2465.7","1.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","1, jonyj09","","","- C18 H31 B Cl2 N6 O3 P Rh -","- C18 H31 B Cl2 N6 O3 P Rh -","- C72 H124 B4 Cl8 N24 O12 P4 Rh4 -","4","1","","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium","Chemical Science","2014","5","2","804","","10.1039/c3sc52748d","","","0.71073","MoKα","","0.0622","0.0445","","","0.0836","0.0894","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513622","19.0753","0.0011","8.1941","0.0005","33.2922","0.0019","90","","105.977","0.001","90","","5002.7","0.5","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","3, jonyj11","","","- C19 H34 B Cl N6 O3 P Rh -","- C19 H34 B Cl N6 O3 P Rh -","- C152 H272 B8 Cl8 N48 O24 P8 Rh8 -","8","2","","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium","Chemical Science","2014","5","2","804","","10.1039/c3sc52748d","","","0.71073","MoKα","","0.1015","0.0614","","","0.1272","0.1446","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513623","10.165","0.0002","15.515","0.0004","18.2424","0.0004","90","","91.134","0.002","90","","2876.44","0.11","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cl2 N2 Th -","- C32 H36 Cl2 N2 Th -","- C128 H144 Cl8 N8 Th4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0264","0.0206","","","0.0374","0.0389","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513624","10.6471","0.0001","22.5946","0.0002","12.5757","0.0001","90","","95.444","0.001","90","","3011.65","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 I2 N2 U -","- C32 H36 I2 N2 U -","- C128 H144 I8 N8 U4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","1.54184","CuKα","","0.039","0.034","","","0.0924","0.1","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513625","10.5523","0.0002","18.0034","0.0005","23.5696","0.0007","90","","98.237","0.002","90","","4431.5","0.2","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H114 Cl2 K2 N4 O4 Th2 -","- C86 H114 Cl2 K2 N4 O4 Th2 -","- C172 H228 Cl4 K4 N8 O8 Th4 -","2","0.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0904","0.0648","","","0.14","0.1485","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513626","12.232","0.005","12.893","0.005","23.252","0.005","90","0.005","90","0.005","90","0.005","3667","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 K N3 Si2 Th -","- C38 H52 K N3 Si2 Th -","- C152 H208 K4 N12 Si8 Th4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","1.5418","CuKα","","0.0636","0.0617","","","0.1628","0.1645","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513627","10.112","0.005","11.224","0.005","18.141","0.005","99.53","0.005","99.536","0.005","108.352","0.005","1874.4","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 I N2 O2.5 U -","- C42 H56 I N2 O2.5 U -","- C84 H112 I2 N4 O5 U2 -","2","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.051","0.0473","","","0.1107","0.1127","","","","","","1.118","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513628","56.62","0.002","15.9509","0.0005","24.5801","0.001","90","","115.031","0.005","90","","20114.3","1.5","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 I N2 U -","- C32 H36 I N2 U -","- C896 H1008 I28 N56 U28 -","28","3.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.1237","0.0643","","","0.1452","0.1782","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513629","31.0498","0.0007","11.5475","0.0002","10.1812","0.0002","90","","90","","90","","3650.44","0.13","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","U2I4L","","","- C32 H36 I4 N2 U2 -","- C32 H36 I4 N2 U2 -","- C128 H144 I16 N8 U8 -","4","0.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0444","0.0374","","","0.0721","0.0746","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513630","12.764","0.003","13.196","0.003","20.352","0.004","83.78","0.03","72.12","0.03","66.51","0.03","2991.7","1.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 B2 F12 N14 Rh2 -","- C58 H40 B2 F12 N14 Rh2 -","- C116 H80 B4 F24 N28 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0592","0.0398","","","0.1043","0.1116","","","","","","0.996","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513631","13.104","0.003","13.114","0.003","22.82","0.005","73.63","0.03","86.21","0.03","66.42","0.03","3443.5","1.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 B2 F12 N14 Rh2 -","- C66 H44 B2 F12 N14 Rh2 -","- C132 H88 B4 F24 N28 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0752","0.056","","","0.1614","0.172","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513632","14.698","0.003","26.636","0.005","23.354","0.007","90","","123.59","0.02","90","","7616","4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 B2 F12 N16 Rh2 -","- C78 H54 B2 F12 N16 Rh2 -","- C312 H216 B8 F48 N64 Rh8 -","4","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0871","0.0575","","","0.1578","0.1709","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513633","50.745","0.01","19.81","0.004","13.614","0.003","90","","99.7","0.03","90","","13490","5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H53 B2 F8 N13 Rh2 -","- C68 H53 B2 F8 N13 Rh2 -","- C544 H424 B16 F64 N104 Rh16 -","8","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.107","0.0579","","","0.1589","0.1962","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513634","10.056","0.002","19.244","0.004","19.431","0.004","97.18","0.03","94.07","0.03","102.62","0.03","3621.8","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H63 B Cl F4 N15 Rh2 -","- C80 H63 B Cl F4 N15 Rh2 -","- C160 H126 B2 Cl2 F8 N30 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.41328","","","0.0786","0.0501","","","0.1547","0.1677","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513635","16.272","0.003","16.272","0.003","10.968","0.002","90","","90","","120","","2515","0.8","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H21 Co Li O6 -","- C15 H21 Co Li O6 -","- C90 H126 Co6 Li6 O36 -","6","0.166667","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.039","0.0314","","","0.0607","0.0615","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513636","11.333","0.002","12.275","0.002","12.46","0.002","104.286","0.002","107.918","0.002","110.038","0.002","1424.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Co2 Li2 O18 -","- C48 H78 Co2 Li2 O18 -","- C48 H78 Co2 Li2 O18 -","1","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.055","0.0492","","","0.1439","0.1486","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513637","12.815","0.004","9.767","0.003","21.674","0.007","90","","90.183","0.004","90","","2712.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Co2 Li2 O12 -","- C48 H78 Co2 Li2 O12 -","- C96 H156 Co4 Li4 O24 -","2","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.1173","0.0657","","","0.1356","0.1522","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513638","9.7761","0.0011","16.9962","0.0019","17.5593","0.0019","90","","100.919","0.001","90","","2864.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Co3 O18 -","- C48 H78 Co3 O18 -","- C96 H156 Co6 O36 -","2","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.0383","0.0321","","","0.0812","0.084","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513639","22.8894","0.0013","12.5211","0.0006","15.4873","0.0007","90","","90.723","0.003","90","","4438.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H47 Cl N2 O6 -","- C52 H46 N2 O6 -","- C208 H184 N8 O24 -","4","0.5","","Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank","Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state","Chemical Science","2014","5","2","608","","10.1039/c3sc52344f","","","0.71073","MoKα","","0.0695","0.0587","","","0.1729","0.1816","","","","","","1.071","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513640","22.956","0.002","9.4115","0.0019","22.7754","0.0008","90","","90","","90","","4920.6","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C60 H62 N2 O6 -","- C60 H62 N2 O6 -","- C240 H248 N8 O24 -","4","1","","Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank","Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state","Chemical Science","2014","5","2","608","","10.1039/c3sc52344f","","","0.71073","MoKα","","0.0661","0.0537","","","0.1315","0.1382","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513641","13.495","0.003","14.896","0.003","26.835","0.005","90","","99.08","0.03","90","","5326.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H64 Cl2 N2 O6 -","- C60.89 H63.78 Cl1.78 N2 O6 -","- C243.56 H255.12 Cl7.12 N8 O24 -","4","1","","Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank","Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state","Chemical Science","2014","5","2","608","","10.1039/c3sc52344f","","","0.71073","MoKα","","0.1537","0.1354","","","0.2393","0.2485","","","","","","1.326","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513642","22.7","0.0018","22.7","0.0018","24.198","0.003","90","","90","","90","","12469","2","173","2","173","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C92 H84 Ag6 B6 Cl0 F24 N12 O24 -","- C92 H84 Ag6 B6 F24 N12 O24 -","- C368 H336 Ag24 B24 F96 N48 O96 -","4","0.5","","Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun","A controllable and dynamic assembly system based on discrete metallocages","Chemical Science","2014","5","2","483","","10.1039/c3sc52442f","","","0.71073","MoKα","","0.0714","0.0697","","","0.1946","0.1972","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513643","16.213","0.004","23.949","0.005","18.894","0.004","90","","105.065","0.004","90","","7084","3","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H84 Ag6 N12 O24 -","- C92 H84 Ag6 N12 O24 -","- C184 H168 Ag12 N24 O48 -","2","0.25","","Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun","A controllable and dynamic assembly system based on discrete metallocages","Chemical Science","2014","5","2","483","","10.1039/c3sc52442f","","","0.71073","MoKα","","0.1195","0.1028","","","0.3125","0.3321","","","","","","1.013","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1513644","6.4922","0.0013","12.393","0.002","17.163","0.003","90","","90","","90","","1380.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F5 N2 -","- C14 H14 B F5 N2 -","- C56 H56 B4 F20 N8 -","4","1","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.1757","0.108","","","0.2822","0.334","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513645","11.3274","0.0011","7.1032","0.0006","16.0113","0.0015","90","","90","","90","","1288.3","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 B F2 N2 -","- C14 H17 B F2 N2 -","- C56 H68 B4 F8 N8 -","4","0.5","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.0869","0.0526","","","0.1253","0.1736","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513646","10.0183","0.0007","27.574","0.002","9.4686","0.0006","90","","95.291","0.001","90","","2604.5","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H22 Cl Cu N4 O10 Re -","- C21 H20 Cl Cu N4 O10 Re -","- C84 H80 Cl4 Cu4 N16 O40 Re4 -","4","1","","Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R.","Modification of coordination networks through a photoinduced charge transfer process","Chemical Science","2014","5","2","539","","10.1039/c3sc52745j","","","0.6942","synchrotron","","0.0348","0.0292","","","0.0599","0.062","","","","","","0.91","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513647","9.593","0.002","11.372","0.002","15.779","0.003","90","","106.11","0.02","90","","1653.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F6 Li2 N4 O2 -","- C30 H44 F6 Li2 N4 O2 -","- C60 H88 F12 Li4 N8 O4 -","2","0.5","","Salomone, Antonio; Perna, Filippo M.; Falcicchio, Aurelia; Nilsson Lill, Sten O.; Moliterni, Anna; Michel, Reent; Florio, Saverio; Stalke, Dietmar; Capriati, Vito","Direct observation of a lithiated oxirane: a synergistic study using spectroscopic, crystallographic, and theoretical methods on the structure and stereodynamics of lithiated ortho-trifluoromethyl styrene oxide","Chemical Science","2014","5","2","528","","10.1039/c3sc52099d","","","0.71073","MoKα","","0.0452","0.0384","","","0.0964","0.1008","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513648","13.2615","0.0008","14.2777","0.0009","17.565","0.0015","101.998","0.004","96.776","0.006","91.48","0.006","3226.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 B F10 P -","- C34 H36 B F10 P -","- C136 H144 B4 F40 P4 -","4","2","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0689","0.0492","","","0.1141","0.1276","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513649","10.7438","0.0004","17.8343","0.0005","18.545","0.0005","90","","106.201","0.002","90","","3412.26","0.19","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 B F10 P -","- C34 H38 B F10 P -","- C136 H152 B4 F40 P4 -","4","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.071","0.0611","","","0.155","0.1644","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513650","10.8542","0.0005","13.8552","0.0005","14.0717","0.001","102.35","0.002","96.684","0.006","111.631","0.003","1876.71","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 B F10 N P -","- C39 H41 B F10 N P -","- C78 H82 B2 F20 N2 P2 -","2","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0554","0.045","","","0.1093","0.1172","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513651","9.7184","0.0001","11.6807","0.0002","35.4816","0.0005","90","","90","","90","","4027.79","0.1","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H35 P -","- C22 H35 P -","- C176 H280 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.037","0.0356","","","0.0951","0.0964","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513652","38.3733","0.0007","9.777","0.0002","22.7086","0.0006","90","","117.195","0.001","90","","7577.9","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 B F10 N P -","- C39 H41 B F10 N P -","- C312 H328 B8 F80 N8 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0795","0.051","","","0.1232","0.1419","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513653","15.4992","0.0003","17.104","0.0003","15.7066","0.0003","90","","93.555","0.001","90","","4155.78","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 B Cl2 F15 P -","- C41 H37 B Cl2 F15 P -","- C164 H148 B4 Cl8 F60 P4 -","4","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","0.71073","MoKα","","0.1258","0.0798","","","0.1433","0.168","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513654","8.9476","0.0018","15.748","0.003","32.247","0.006","90","","90","","90","","4543.8","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H26 F15 Ge N5 O -","- C46 H26 F15 Ge N5 O -","- C184 H104 F60 Ge4 N20 O4 -","4","1","","Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng","Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations","Chemical Science","2014","5","3","916","","10.1039/c3sc52326h","","","0.71073","MoKα","","0.0606","0.0549","","","0.1192","0.1234","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513655","13.016","0.004","15.843","0.005","18.314","0.006","102.173","0.004","103.316","0.005","99.283","0.003","3503.9","1.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H32 F30 Ge2 N8 O2 -","- C80 H32 F30 Ge2 N8 O2 -","- C160 H64 F60 Ge4 N16 O4 -","2","1","","Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng","Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations","Chemical Science","2014","5","3","916","","10.1039/c3sc52326h","","","0.71073","MoKα","","0.0926","0.0789","","","0.162","0.1701","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513656","21.1256","0.0006","21.1256","0.0006","27.4118","0.0014","90","","90","","90","","12233.6","0.8","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C10.5 H7.5 Cl0.75 N0.75 O17.88 V3 -","- C10.51 H7.52 Cl0.75 N0.755 O17.88 V3 -","- C168.16 H120.32 Cl12 N12.08 O286.08 V48 -","16","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.41328","","","0.094","0.0593","","","0.1797","0.2085","","","","","","1.091","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513657","21.0482","0.0014","21.0482","0.0014","21.648","0.003","90","","90","","90","","9590.6","1.6","143","2","143","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C168 H144 Cl12 N12 O192 V48 -","8","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1681","0.0842","","","0.2089","0.2371","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513658","37.3416","0.0011","21.508","0.0006","36.8796","0.001","90","","109.771","0.001","90","","27873.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83.5 H114.24 Ba2.5 Cl3 N12 O68.13 V12 -","- C83.5 H114.27 Ba2.5 Cl3 N12 O68.18 V12 -","- C668 H914.16 Ba20 Cl24 N96 O545.44 V96 -","8","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","1.54178","CuKα","","0.0936","0.0742","","","0.1827","0.2061","","","","","","0.96","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513659","34.773","0.003","34.773","0.003","39.676","0.003","90","","90","","120","","41547","6","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H24 Cl6 O207.75 V30 -","- C72 H24 Cl6 O201.75 V30 -","- C432 H144 Cl36 O1210.5 V180 -","6","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1954","0.0877","","","0.1946","0.2524","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513660","21.1683","0.0005","21.1683","0.0005","27.3991","0.0015","90","","90","","90","","12277.5","0.8","396","2","396","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C88 H56 Cl6 N8 O139 V26.2 -","- C88 H56 Cl6 N8 O139.68 V26.2 -","- C176 H112 Cl12 N16 O279.36 V52.4 -","2","0.125","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1395","0.0791","","","0.2086","0.244","","","","","","1.144","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513661","10.3857","0.0005","12.5498","0.0006","13.3966","0.0006","80.96","0.002","86.06","0.002","89.464","0.002","1720.33","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 Fe N3 -","- C42 H45 Fe N3 -","- C84 H90 Fe2 N6 -","2","1","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","0.71073","MoKα","","0.0673","0.0467","","","0.1037","0.1142","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513662","21.344","0.005","14.623","0.005","23.427","0.005","90","","116.242","0.005","90","","6558","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Fe N3 -","- C40 H41 Fe N3 -","- C320 H328 Fe8 N24 -","8","2","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","1.54184","CuKα","","0.0423","0.0354","","","0.0848","0.0893","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513663","11.5779","0.0007","23.3582","0.0015","15.6591","0.001","90","","101.95","0.002","90","","4143.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H116 Fe2 N10 O -","- C96 H116 Fe2 N10 O -","- C192 H232 Fe4 N20 O2 -","2","1","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","0.71073","MoKα","","0.0428","0.0393","","","0.1041","0.1083","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513666","5.1209","0.0001","13.4823","0.0002","26.8004","0.0005","90","","90","","90","","1850.34","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1696","","","- C21 H17 N5 O3 -","- C21 H17 N5 O3 -","- C84 H68 N20 O12 -","4","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.0597","0.0373","","","0.065","0.0712","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513667","7.6612","0.0001","13.3624","0.0001","28.3524","0.0003","90","","90","","90","","2902.49","0.05","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","RajanBabu1748","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C112 H120 N24 O24 S8 -","8","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.053","0.0322","","","0.0769","0.0829","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513668","8.265","0.002","11.375","0.003","17.895","0.004","105.856","0.009","99.89","0.009","94.67","0.01","1579.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 N4 Si -","- C39 H36 N4 Si -","- C78 H72 N8 Si2 -","2","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.0986","0.0524","","","0.1001","0.1178","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513669","20.094","0.007","17.545","0.006","24.43","0.008","90","","112.452","0.005","90","","7960","5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Cl2 N2 O4 Si -","- C45 H42 Cl2 N2 O4 Si -","- C360 H336 Cl16 N16 O32 Si8 -","8","2","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.2916","0.2692","","","0.6166","0.6271","","","","","","3.589","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1513670","14.703","0.015","14.833","0.016","15.051","0.016","85.804","0.018","87.16","0.019","66.309","0.015","2997","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H38 O2 Si -","- C39 H38 O2 Si -","- C156 H152 O8 Si4 -","4","2","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.2153","0.1187","","","0.3035","0.3506","","","","","","1.145","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513671","38.218","0.008","19.296","0.004","8.514","0.0018","90","","90.665","0.004","90","","6278","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36.5 O3.25 Si -","- C33 H34 O2 Si -","- C264 H272 O16 Si8 -","8","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.0832","0.0599","","","0.1802","0.1886","","","","","","1.24","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513672","8.8447","0.0004","18.3363","0.0009","17.4324","0.0006","90","","114.902","0.002","90","","2564.3","0.2","100","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Si -","- C33 H36 Si -","- C132 H144 Si4 -","4","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","x-ray","0.71073","MoKα","K-L~3~","0.059","0.0478","","","0.1125","0.1196","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513673","11.5705","0.0005","12.2221","0.0003","13.6923","0.0003","111.408","0.001","105.64","0.001","97.431","0.001","1679.03","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 Cl4 N4 P4 -","- C26 H44 Cl4 N4 P4 -","- C52 H88 Cl8 N8 P8 -","2","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0687","0.0427","","","0.1035","0.1184","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513674","18.4786","0.0014","10.3968","0.0007","16.676","0.0012","90","","109.266","0.003","90","","3024.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 Cl2 N4 P4 -","- C25 H42 Cl2 N4 P4 -","- C100 H168 Cl8 N16 P16 -","4","0.5","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1345","0.0557","","","0.0978","0.1231","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513675","18.2251","0.0007","16.1902","0.0006","16.0587","0.0007","90","","115.528","0.002","90","","4275.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,3-bis[4-(N,N-dimethylamino)piridyl]-2,4-bis(trimethylsilyl)-cyclo-1,3- diphospha-2,4-diazenium bis-tetrachlorogallate","","- C21 H40 Cl10 Ga2 N6 P2 Si2 -","- C21 H40 Cl10 Ga2 N6 P2 Si2 -","- C84 H160 Cl40 Ga8 N24 P8 Si8 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.051","0.035","","","0.0875","0.0934","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513676","11.1833","0.0003","16.4208","0.0004","19.4337","0.0005","67.276","0.001","82.19","0.001","83.223","0.001","3252.83","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H29 F3 N O3 P S Si -","- C16 H29 F3 N O3 P S Si -","- C96 H174 F18 N6 O18 P6 S6 Si6 -","6","3","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1145","0.0522","","","0.1001","0.1225","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513677","8.7479","0.0003","10.5358","0.0004","42.6705","0.0014","90","","93.724","0.002","90","","3924.5","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 F3 N O3 P S Si -","- C16 H25 F3 N O3 P S Si -","- C128 H200 F24 N8 O24 P8 S8 Si8 -","8","2","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1195","0.055","","","0.1172","0.136","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513678","17.333","0.0014","8.3372","0.0006","14.4037","0.001","90","","90","","90","","2081.5","0.3","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl2 F3 N O4 P S -","- C14 H25 Cl2 F3 N O4 P S -","- C56 H100 Cl8 F12 N4 O16 P4 S4 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0945","0.053","","","0.1155","0.13","","","","","","0.97","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513679","9.1199","0.0003","13.8435","0.0005","17.1181","0.0007","70.892","0.002","88.485","0.002","89.599","0.002","2041.39","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.81 H51.21 Mo N4 O3 P4 -","- C36.807 H51.208 Mo N4 O3 P4 -","- C73.614 H102.416 Mo2 N8 O6 P8 -","2","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0807","0.0463","","","0.1118","0.1217","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513680","9.0715","0.0004","18.1902","0.0006","18.4948","0.0007","90","","94.483","0.002","90","","3042.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Mo N4 O3 P4 -","- C27 H40 Mo N4 O3 P4 -","- C108 H160 Mo4 N16 O12 P16 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1145","0.0522","","","0.0897","0.1104","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513681","20.4707","0.0008","20.2868","0.0007","18.9919","0.0006","90","","110.519","0.002","90","","7386.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 N4 O7 P4 W2 -","- C31 H40 N4 O7 P4 W2 -","- C248 H320 N32 O56 P32 W16 -","8","2","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.116","0.0475","","","0.0798","0.1003","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513682","5.9362","0.0002","13.8472","0.0005","9.4","0.0003","90","","97.888","0.002","90","","765.37","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Mo N3 O3 -","- C12 H15 Mo N3 O3 -","- C24 H30 Mo2 N6 O6 -","2","0.5","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0276","0.0231","","","0.046","0.0478","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513683","9.29","0.003","24.265","0.008","13.856","0.005","90","","106.244","0.006","90","","2998.8","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 B2 Mg N3 O5 -","- C27 H43 B2 Mg N3 O5 -","- C108 H172 B8 Mg4 N12 O20 -","4","1","","Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism","Chemical Science","2014","5","3","959","","10.1039/c3sc52793j","","","0.71073","MoKα","","0.1058","0.0538","","","0.1084","0.1318","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513684","10.4348","0.0011","19.441","0.002","14.262","0.0015","90","","99.963","0.002","90","","2849.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 Mg2 N6 O8 -","- C46 H68 B2 Mg2 N6 O8 -","- C92 H136 B4 Mg4 N12 O16 -","2","0.5","","Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism","Chemical Science","2014","5","3","959","","10.1039/c3sc52793j","","","0.71073","MoKα","","0.0643","0.0452","","","0.1178","0.1263","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513685","14.6186","0.0001","14.8584","0.0001","27.0913","0.0003","90.0175","0.0005","93.0811","0.0005","116.842","0.0004","5240.86","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H162 N2 O12 Se2 U2 -","- C120 H162 N2 O12 Se2 U2 -","- C240 H324 N4 O24 Se4 U4 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0457","0.0299","","","0.0571","0.0616","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513686","11.2872","0.0008","16.8161","0.0012","28.943","0.002","85.729","0.002","87.925","0.002","89.368","0.002","5474.5","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C123.5 H151.5 N2 O6 Se3.86 U2 -","- C123.5 H151.5 N2 O6 Se3.8622 U2 -","- C247 H303 N4 O12 Se7.7244 U4 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0379","0.0296","","","0.0752","0.0789","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513687","18.092","0.002","12.365","0.0006","28.315","0.003","90","0.007","118.117","0.012","90","0.008","5586.8","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H164 N2 O8 Se4.11 U2 -","- C130 H164 N2 O8 Se4.11 U2 -","- C260 H328 N4 O16 Se8.22 U4 -","2","0.5","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0711","0.0441","","","0.0754","0.0802","","","","","","1.573","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513688","20.544","0.0003","22.5155","0.0003","24.1171","0.0003","88.407","0.001","84.055","0.001","75.504","0.001","10742.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C236 H314 N4 O22 S8 U4 -","- C236 H314 N4 O22 S8 U4 -","- C472 H628 N8 O44 S16 U8 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.068","0.0428","","","0.098","0.1063","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513693","7.2711","0.0003","11.9307","0.0005","29.9623","0.0013","95.055","0.003","95.38","0.004","95.045","0.003","2565.54","0.19","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","2","","Shi, Ke; Lei, Ting; Wang, Xiao-Ye; Wang, Jie-Yu; Pei, Jian","A bowl-shaped molecule for organic field-effect transistors: crystal engineering and charge transport switching by oxygen doping","Chemical Science","2014","5","3","1041","","10.1039/c3sc52701h","","","0.7107","MoKα","","0.0838","0.0576","","","0.1292","0.1415","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513694","8.8131","0.0015","13.356","0.002","26.551","0.005","90","","90","","90","","3125.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trifluoro-1,4,7-trimethyl-1,4,7-triazonane-aluminium(III) hydrate","","- C9 H29 Al F3 N3 O4 -","- C9 H29 Al F3 N3 O4 -","- C72 H232 Al8 F24 N24 O32 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.1239","0.0791","","","0.1685","0.1957","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513695","13.42","0.004","8.871","0.002","13.542","0.003","90","","97.816","0.015","90","","1597.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trifluoro(1,4,7-trimethyl-1,4,7-triazacyclononane)gallium(III) tetrahydrate","","- C9 H29 F3 Ga N3 O4 -","- C9 H29 F3 Ga N3 O4 -","- C36 H116 F12 Ga4 N12 O16 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0762","0.0579","","","0.1238","0.1329","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513696","6.8679","0.001","20.187","0.004","12.014","0.002","90","","99.482","0.01","90","","1642.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trifluoro(1,4,7-trimethyl-1,4,7-triazonane-N,N'N"")indium(III)","","- C9 H29 F3 In N3 O4 -","- C9 H29 F3 In N3 O4 -","- C36 H116 F12 In4 N12 O16 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0254","0.0219","","","0.0441","0.046","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513697","6.7721","0.001","13.666","0.003","18.998","0.003","90","","96.106","0.01","90","","1748.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trifluoro(1-benzyl-4,7-dimethyl-1,4,7-triazonane-N,N'N"")indium(III) hydrate","","- C15 H27 F3 In N3 O1.2 -","- C15 H27 F3 In N3 O1.2 -","- C60 H108 F12 In4 N12 O4.8 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0251","0.022","","","0.0458","0.0476","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513698","12.128","0.005","7.185","0.002","15.695","0.006","90","","90.07","0.05","90","","1367.7","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trichloro-(1,4,7-trimethyl-1,4,7-triazonane-N,N',N"")aluminium(III)","","- C9 H21 Al Cl3 N3 -","- C9 H21 Al Cl3 N3 -","- C36 H84 Al4 Cl12 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0781","0.058","","","0.1066","0.1191","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513699","12.173","0.003","7.2253","0.001","15.696","0.006","90","","90.239","0.006","90","","1380.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)galliun(III)","","- C9 H21 Cl3 Ga N3 -","- C9 H21 Cl3 Ga N3 -","- C36 H84 Cl12 Ga4 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0244","0.0211","","","0.0521","0.0534","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513700","16.276","0.003","16.175","0.003","14.815","0.002","90","","105.595","0.002","90","","3756.7","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tribromo(1,4,7-trimethyl-1,4,7-triazacyclononane)indium(III) dichloromethane solvate","","- C10 H23 Br3 Cl2 In N3 -","- C10 H23 Br3 Cl2 In N3 -","- C80 H184 Br24 Cl16 In8 N24 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0706","0.0447","","","0.0801","0.0883","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513701","7.2893","0.0015","15.026","0.004","18.528","0.004","90","","100.924","0.015","90","","1992.6","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-benzyl-4,7-dimethyl-1,4,7-triazonane-N,N',N"")-trichloro-indium(III)","","- C15 H25 Cl3 In N3 -","- C15 H25 Cl3 In N3 -","- C60 H100 Cl12 In4 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0758","0.0532","","","0.0962","0.1073","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513702","12.979","0.002","12.979","0.002","13.565","0.004","90","","90","","120","","1978.9","0.7","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","tris(mu~2~-hydroxy)bis((1,4,7-trimethyl-1,4,7-triazacyclononane)- gallium(III)) bromide dichloromethane solvate","","- C21 H51 Br3 Cl6 Ga2 N6 O3 -","- C21 H51 Br3 Cl6 Ga2 N6 O3 -","- C42 H102 Br6 Cl12 Ga4 N12 O6 -","2","0.166667","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0542","0.0436","","","0.0912","0.097","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513703","7.997","0.005","7.997","0.005","18.178","0.007","90","","90","","120","","1006.8","1","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","tris(tetramethylammonium) (mu~2~-trifluoro-hexafluorodialuminate)","","- C12 H36 Al2 F9 N3 -","- C12 H36 Al2 F9 N3 -","- C24 H72 Al4 F18 N6 -","2","0.166667","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0631","0.0426","","","0.098","0.1073","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513704","5.512","0.003","10.789","0.007","14.89","0.009","88.566","0.012","81.672","0.012","83.072","0.009","869.7","0.9","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O5 -","- C19 H14 F3 N O5 -","- C38 H28 F6 N2 O10 -","2","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0454","","","","0.1266","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513705","22.067","0.011","6.117","0.003","29.455","0.015","90","","92.449","0.006","90","","3972","3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 F6 N O6 -","- C20 H13 F6 N O6 -","- C160 H104 F48 N8 O48 -","8","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0417","","","","0.114","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513706","5.877","0.004","11.649","0.008","12.864","0.008","87.422","0.012","81.769","0.012","83.004","0.014","864.8","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O5 -","- C19 H14 F3 N O5 -","- C38 H28 F6 N2 O10 -","2","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0401","","","","0.1097","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513707","10.5731","0.0007","28.9962","0.0019","13.1962","0.0009","90","","94.339","0.004","90","","4034.1","0.5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F6 N O6 -","- C20 H13 F6 N O6 -","- C160 H104 F48 N8 O48 -","8","2","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.059","","","","0.1363","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513708","24.2856","0.0005","12.7122","0.0003","9.1833","0.0002","90","","90","","90","","2835.1","0.11","170","2","170","2","","","","","","","","6","P n m a","-P 2ac 2n","62","iron(II) TMC thiocyanate triflate","","","- C19 F3 Fe N7 O3 S2 -","- C19 F3 Fe N7 O3 S2 -","- C76 F12 Fe4 N28 O12 S8 -","4","0.5","","Hong, Seungwoo; Lee, Yong-Min; Cho, Kyung-Bin; Seo, Mi Sook; Song, Dayoung; Yoon, Jihae; Garcia-Serres, Ricardo; Clémancey, Martin; Ogura, Takashi; Shin, Woonsup; Latour, Jean-Marc; Nam, Wonwoo","Conversion of high-spin iron(iii)‒alkylperoxo to iron(iv)‒oxo species via O‒O bond homolysis in nonheme iron models","Chemical Science","2014","5","1","156","","10.1039/c3sc52236a","","","0.71073","MoKα","","0.0769","0.068","","","0.2209","0.2413","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513712","18.0913","0.0018","7.5678","0.0008","22.361","0.002","90","","93.183","0.005","90","","3056.8","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Zhang, Qi; Nguyen, Hien M.","Rhodium-catalyzed regioselective opening of vinyl epoxides with Et3N·3HF reagent ‒ formation of allylic fluorohydrins","Chemical Science","2014","5","1","291","","10.1039/c3sc51949j","","","0.71073","MoKα","","0.0602","0.0353","","","0.0762","0.0856","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513713","9.9429","0.0008","22.741","0.0016","10.5329","0.0007","90","","111.939","0.007","90","","2209.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H55 Cu6 F N12 O5 -","- C34 H55 Cu6 F N12 O5 -","- C68 H110 Cu12 F2 N24 O10 -","2","0.5","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1089","0.0525","","","0.1138","0.1378","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513714","19.873","0.0005","19.873","0.0005","9.9681","0.0004","90","","90","","120","","3409.34","0.18","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H52 Cl3 Cu6 N13 O6 -","- C33 H52.06 Cl3 Cu6 N13 O6 -","- C99 H156.18 Cl9 Cu18 N39 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0495","0.0356","","","0.0734","0.0813","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513715","20.1726","0.0008","20.1726","0.0008","10.1341","0.0007","90","","90","","120","","3571.4","0.3","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1633","0.0918","","","0.2329","0.3015","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513716","19.8969","0.0003","19.8969","0.0003","9.9518","0.0003","90","","90","","120","","3411.95","0.13","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0748","0.0662","","","0.1915","0.2006","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513717","55.3514","0.0013","16.6288","0.0004","32.7345","0.0006","90","","115.557","0.003","90","","27181.7","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H162 Cr7 F8 N Ni O35 -","- C92 H162 Cr7 F8 N Ni O35 -","- C736 H1296 Cr56 F64 N8 Ni8 O280 -","8","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.1721","0.1468","","","0.3671","0.385","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513718","25.0881","0.0011","16.4808","0.0007","33.9931","0.0015","90","","91.685","0.004","90","","14049.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H167 Cr7 F8 N2 Ni O34 -","- C94 H167 Cr7 F8 N2 Ni O34 -","- C376 H668 Cr28 F32 N8 Ni4 O136 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.166","0.0865","","","0.2005","0.2445","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513719","16.2899","0.0008","30.037","0.002","29.588","0.002","90","","97.377","0.006","90","","14357.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H175 Cr7 F8 N2 Ni O34 -","- C98 H175 Cr7 F8 N2 Ni O34 -","- C392 H700 Cr28 F32 N8 Ni4 O136 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","0.71073","MoKα","","0.1672","0.0981","","","0.2565","0.3055","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513720","42.289","0.0006","42.289","0.0006","31.7707","0.0007","90","","90","","90","","56817.4","1.7","150","2","150","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C359 H630 Cr28 Cu4 F32 N4 Ni4 O141 -","- C359 H626 Cr28 Cu4 F32 N4 Ni4 O141 -","- C1436 H2504 Cr112 Cu16 F128 N16 Ni16 O564 -","4","0.25","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","0.6889","synchrotron","","0.1175","0.0873","","","0.2448","0.2821","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513721","39.9717","0.0015","48.6332","0.0016","43.5363","0.0015","90","","91.283","0.003","90","","84611","5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 -","- C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 -","- C2196 H3720 Cr168 F192 N24 Ni24 O828 Zn16 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.1914","0.1383","","","0.3749","0.4179","","","","","","1.577","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513722","17.135","0.003","9.4044","0.0019","20.723","0.004","90","","101.54","0.03","90","","3271.9","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H56 Si6 -","- C24 H56 Si6 -","- C96 H224 Si24 -","4","0.5","","Tibbelin, Julius; Wallner, Andreas; Emanuelsson, Rikard; Heijkenskjöld, Filip; Rosenberg, Martin; Yamazaki, Kaoru; Nauroozi, Djawed; Karlsson, Leif; Feifel, Raimund; Pettersson, Roland; Baumgartner, Judith; Ott, Sascha; Ottosson, Henrik","1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation","Chemical Science","2014","5","1","360","","10.1039/c3sc52389f","","","0.71073","MoKα","","0.0332","0.0311","","","0.0819","0.0837","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513723","16.6223","0.0005","22.9236","0.0006","29.6344","0.0008","71.154","0.002","78.075","0.002","73.175","0.002","10149.1","0.5","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C79.72 H78.59 F48 N14.86 P8 -","- C79.73 H78.595 F48 N14.865 P8 -","- C318.92 H314.38 F192 N59.46 P32 -","4","2","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54178","CuKα","","0.1562","0.0983","","","0.2597","0.3027","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513724","16.475","0.004","18.609","0.005","25.278","0.006","105.106","0.008","99.281","0.007","93.008","0.006","7348","3","100","2","99.97","","","","","","","","","6","P -1","-P 1","2","","","","- C125 H139 F48 N15 O15 P8 -","- C125 H139 F48 N15 O15 P8 -","- C250 H278 F96 N30 O30 P16 -","2","1","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54178","CuKα","","0.0814","0.0668","","","0.1811","0.1899","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513725","20.0951","0.0004","31.3942","0.0006","24.2862","0.0005","90","","94.082","0.001","90","","15282.6","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H118 F48 N8 O14 P8 -","- C110 H118 F48 N8 O14 P8 -","- C440 H472 F192 N32 O56 P32 -","4","1","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54184","CuKα","","0.1067","0.0893","","","0.2511","0.262","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513726","41","0.003","41","0.003","32.818","0.002","90","","90","","90","","55167","7","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","U124P32","","","- K19 O223.5 P8 U31 -","- K19 O223.5 P8 U31 -","- K152 O1788 P64 U248 -","8","1","","Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C.","Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters","Chemical Science","2014","5","1","303","","10.1039/c3sc52357h","","","0.71073","MoKα","","0.0993","0.0606","","","0.1551","0.1799","","","","","","1.191","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513727","14.515","0.002","15.214","0.002","13.3114","0.0017","90","","99.134","0.003","90","","2902.3","0.7","113","2","113","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","0.5","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.0617","0.0448","","","0.1147","0.146","","","","","","1.145","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513728","9.251","0.003","18.592","0.006","22.277","0.007","90","","94.409","0.009","90","","3820","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cl2 N2 O2 -","- C50 H34 Cl2 N2 O2 -","- C200 H136 Cl8 N8 O8 -","4","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.1697","0.0946","","","0.2204","0.2868","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513729","8.266","0.0009","18.71","0.002","21.637","0.002","90","","90.739","0.003","90","","3346","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 O3 -","- C45 H40 O3 -","- C180 H160 O12 -","4","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.2344","0.1079","","","0.2201","0.3123","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513730","8.5044","0.0001","19.248","0.0002","20.4545","0.0003","82.0704","0.0008","78.1032","0.0005","82.3308","0.0007","3225.9","0.07","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H73 Cl -","- C90 H73 Cl -","- C180 H146 Cl2 -","2","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.8","synchrotron","","","0.0673","","","","0.1817","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513732","8.9819","0.0006","10.28","0.0009","13.008","0.0011","86.49","0.007","73.036","0.007","79.688","0.007","1130.21","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C48 H54 N6 O10 -","2","1","","Zhang, Yan; Wu, Qifan; Cui, Sunliang","Rh(iii)-catalyzed C‒H activation‒desymmetrization of diazabicycles with arenes: facile synthesis of functionalized cyclopentenes","Chemical Science","2014","5","1","297","","10.1039/c3sc52524d","","","0.71073","MoKα","","0.0678","0.0448","","","0.0976","0.1118","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513839","20.0613","0.0013","6.9855","0.0006","38.187","0.003","90","","102.741","0.002","90","","5219.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3-bis(2,6-diisopropylphenyl)-2-phosphinylidene-2,3-dihydro-1H-imidazole","1,3-bis(2,6-diisopropylphenyl)-2-phosphinylidene-2,3-dihydro-1H-imidazole","","- C27 H37 N2 P -","- C27 H37 N2 P -","- C216 H296 N16 P8 -","8","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0633","0.0461","","","0.141","0.1543","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513840","17.0305","0.0012","21.4738","0.0009","16.7809","0.0011","90","","115.996","0.003","90","","5516","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1,3-bis(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)triphosphin-2-ium]Chloride","","","- C58 H80 Cl N4 O P3 -","- C58 H80 Cl N4 O P3 -","- C232 H320 Cl4 N16 O4 P12 -","4","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0733","0.0441","","","0.1103","0.1329","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513841","22.3995","0.0003","12.1255","0.0002","29.5997","0.0005","90","","90.82","0.001","90","","8038.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran","di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran","","- C72 H116 Cl N4 O3 P7 Si2 -","- C72 H116 Cl N4 O3 P7 Si2 -","- C288 H464 Cl4 N16 O12 P28 Si8 -","4","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","x-ray","0.71073","MoKα","","0.0704","0.0456","","","0.1153","0.1249","","","","","","1.311","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513842","11.9151","0.0002","13.5428","0.0002","15.8914","0.0003","85.68","0.001","89.601","0.001","79.255","0.001","2512.11","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1,3-bis(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)triphosphinyl","","","- C54 H72 N4 P3 -","- C54 H72 N4 P3 -","- C108 H144 N8 P6 -","2","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0837","0.0465","","","0.1027","0.118","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513843","24.928","0.0012","14.103","0.0007","17.8654","0.0008","90","","92.468","0.002","90","","6274.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[bis((1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)phosphino)arsinium]Chloride","","","- C66 H96 As Cl N4 O3 P2 -","- C66 H96 As Cl N4 O3 P2 -","- C264 H384 As4 Cl4 N16 O12 P8 -","4","0.5","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.062","0.0414","","","0.094","0.1053","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513844","10.2682","0.0006","42.469","0.003","24.23","0.0012","90","","92.756","0.002","90","","10554","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","arsenyl[bis((1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)phosphine)]","","","- C54 H72 As N4 P2 -","- C54 H72 As N4 P2 -","- C432 H576 As8 N32 P16 -","8","2","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0852","0.0456","","","0.0842","0.1004","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513845","23.6782","0.0011","18.3268","0.0009","29.7342","0.0014","90","","103.981","0.001","90","","12520.8","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 N4 O4 P6 -","- C60 H78 N4 O4 P6 -","- C480 H624 N32 O32 P48 -","8","2","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","1.54178","CuKα","","0.064","0.0457","","","0.0971","0.1073","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513846","20.729","0.001","16.7382","0.0008","13.9693","0.0007","90","","93.679","0.002","90","","4836.9","0.4","200","2","200","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","Gandelman-58 (Yuri)","","","- C39 H40 Cl4 F6 N3 O6 P2 Pt S2 -","- C39 H40 Cl4 F6 N3 O6 P2 Pt S2 -","- C156 H160 Cl16 F24 N12 O24 P8 Pt4 S8 -","4","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.0403","0.0293","","","0.0762","0.0798","","","","","","1.257","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513847","13.778","0.0003","14.772","0.0003","17.476","0.0004","84.622","0.001","82.6","0.001","83.819","0.001","3495.21","0.13","293","2","293","2","","","","","","","","9","P -1","-P 1","2","Gandelman-157 (Yuri)","","","- C60 H61 F12 K N3 O13 P3 Pt S4 -","- C60 H61 F12 K N3 O13 P3 Pt S4 -","- C120 H122 F24 K2 N6 O26 P6 Pt2 S8 -","2","1","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.0622","0.0461","","","0.1347","0.1886","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513848","13.854","0.002","22.376","0.003","19.553","0.003","90","","109.609","0.004","90","","5709.8","1.4","240","2","240","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gandelman-155 (Saha)","","","- C48 H64 F12 N3 O3.5 P4 Rh -","- C48 H64 F12 N3 O3.5 P4 Rh -","- C192 H256 F48 N12 O14 P16 Rh4 -","4","1","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.1002","0.0729","","","0.22","0.2551","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513849","26.8737","0.0003","12.5922","0.0002","16.0468","0.0001","90","","120.726","0.001","90","","4667.93","0.11","120","2","120","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Cl5 F6 N3 O6 P2 Pt S2 -","- C38 H40 Cl5 F6 N3 O6 P2 Pt S2 -","- C152 H160 Cl20 F24 N12 O24 P8 Pt4 S8 -","4","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.033","0.0299","","","0.077","0.0788","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513850","15.7239","0.0007","17.5295","0.0008","23.5911","0.001","90","","106.188","0.002","90","","6244.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H126 F24 N6 O4 P10 Rh2 -","- C120 H126 F23.996 N6 O4 P10 Rh2 -","- C240 H252 F47.992 N12 O8 P20 Rh4 -","2","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.1031","0.0693","","","0.1739","0.1936","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513851","11.2305","0.0006","12.1307","0.0007","13.8812","0.0008","97.683","0.001","111.479","0.001","105.007","0.001","1643.89","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Ca2 F12 N12 O16 S4 -","- C56 H44 Ca2 F12 N12 O16 S4 -","- C56 H44 Ca2 F12 N12 O16 S4 -","1","0.5","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1359","0.11","","","0.2875","0.3117","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513852","13.9231","0.0009","13.4981","0.0009","15.7366","0.0007","90","","104.682","0.003","90","","2860.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Ca Cl2 N8 O -","- C26 H30 Ca Cl2 N8 O -","- C104 H120 Ca4 Cl8 N32 O4 -","4","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1228","0.0568","","","0.1499","0.191","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513853","8.8738","0.0009","10.2258","0.001","11.11","0.0011","92.066","0.002","98.016","0.002","100.127","0.002","980.84","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H10 Ca F6 N4 O6 S2 -","- C13 H10 Ca F6 N4 O6 S2 -","- C26 H20 Ca2 F12 N8 O12 S4 -","2","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.0742","0.0528","","","0.1336","0.1409","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513854","11.208","0.002","19.89","0.004","18.423","0.004","90","","96.346","0.004","90","","4081.8","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 Ca Cl2 N12 O8 -","- C33 H29 Ca Cl2 N12 O8 -","- C132 H116 Ca4 Cl8 N48 O32 -","4","0.5","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1083","0.079","","","0.2021","0.213","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513855","12.8935","0.0013","14.4392","0.0014","18.0468","0.0018","92.81","0.002","107.021","0.002","114.714","0.002","2861","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H57 Ca2 N15 O8 -","- C58 H57 Ca2 N15 O8 -","- C116 H114 Ca4 N30 O16 -","2","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.2651","0.1083","","","0.1285","0.1647","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513856","7.5169","0.0004","9.9819","0.0005","10.683","0.0005","113.158","0.001","90.038","0.001","98.162","0.001","728.12","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H20 Au Cl N4 O -","- C11 H20 Au Cl N4 O -","- C22 H40 Au2 Cl2 N8 O2 -","2","1","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0386","0.0377","","","0.0998","0.1007","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513857","15.634","0.002","6.3008","0.0007","8.0648","0.001","90","","108.223","0.007","90","","754.59","0.16","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Au2 N6 -","- C12 H16 Au2 N6 -","- C24 H32 Au4 N12 -","2","0.25","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0505","0.0484","","","0.1325","0.1359","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513858","9.3279","0.0004","17.2846","0.0007","6.7132","0.0003","90","","105.46","0.002","90","","1043.2","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ag Au N6 -","- C20 H20 Ag Au N6 -","- C40 H40 Ag2 Au2 N12 -","2","0.5","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.067","0.0591","","","0.1707","0.1883","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513859","4.1212","0.0003","10.9295","0.0009","14.0406","0.001","67.288","0.004","81.57","0.003","89.986","0.004","575.98","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Au0.5 Cl0.5 N2 O -","- C9 H10 Au0.5 Cl0.5 N2 O -","- C18 H20 Au Cl N4 O2 -","2","1","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0945","0.0896","","","0.2217","0.2324","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513860","8.802","0.0007","10.1477","0.0008","10.3699","0.0008","90","","114.98","0.002","90","","839.6","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O2 P -","- C18 H23 O2 P -","- C36 H46 O4 P2 -","2","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0461","0.0328","","","0.0737","0.0795","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513861","21.4308","0.0014","6.089","0.0004","13.0171","0.0008","90","","116.36","0.002","90","","1522.01","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H21 O2 P -","- C17 H21 O2 P -","- C68 H84 O8 P4 -","4","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0446","0.0353","","","0.0729","0.0764","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513862","25.1525","0.0018","11.425","0.0004","7.5575","0.0003","90","","94.475","0.007","90","","2165.16","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","2","","Duan, Pingping; Yang, Yunfang; Ben, Rong; Yan, Yiyong; Dai, Lu; Hong, Mei; Wu, Yun-Dong; Wang, Dongqi; Zhang, Xinhao; Zhao, Jing","Palladium-catalyzed benzo[d]isoxazole synthesis by C‒H activation/[4 + 1] annulation","Chemical Science","2014","5","4","1574","","10.1039/c3sc53228c","","","1.54178","CuKα","","0.0701","0.0491","","","0.13","0.1466","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513863","23.9647","0.0014","23.9647","0.0014","23.9647","0.0014","90","","90","","90","","13763.1","1.4","296","2","296","2","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C33 H24.67 O13 Zn2.67 -","- C33 H24.67 O12.33 Zn2.44333 -","- C396 H296.04 O147.96 Zn29.32 -","12","1","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71073","MoKα","","0.1705","0.0966","","","0.2585","0.2899","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513864","26.669","0.003","26.669","0.003","86.622","0.004","90","","90","","120","","53355","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H36 N0 O19 Zn4 -","- C49.5 H36 O19 Zn4 -","- C594 H432 O228 Zn48 -","12","0.333333","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71069","MoKα","","0.1675","0.0403","","","0.078","0.0941","","","","","","0.7","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513865","13.0611","0.0005","16.5349","0.0007","22.6345","0.0009","90","","90","","90","","4888.2","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 Cr N3 P3 -","- C45 H51 Cr N3 P3 -","- C180 H204 Cr4 N12 P12 -","4","1","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0513","0.0385","","0.0874","0.0841","0.0874","","","","","","0.9617","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513866","20.6666","0.0003","20.6666","0.0003","20.6666","0.0003","90","","90","","90","","8826.9","0.2","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Cr Fe I N3 P3 -","- C45 H51 Cr Fe I N3 P3 -","- C360 H408 Cr8 Fe8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0682","0.0368","","0.0798","0.0702","0.0798","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513867","20.6768","0.0002","20.6768","0.0002","20.6768","0.0002","90","","90","","90","","8839.95","0.15","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Co Cr I N3 P3 -","- C45 H51 Co Cr I N3 P3 -","- C360 H408 Co8 Cr8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0397","0.0295","","0.0749","0.0639","0.0749","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513868","16.2739","0.0003","16.2739","0.0003","23.1328","0.0005","90","","90","","120","","5305.69","0.18","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Cr Fe N3 P4 -","- C48 H60 Cr Fe N3 P4 -","- C192 H240 Cr4 Fe4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0514","0.0323","","0.0985","0.0852","0.0985","","","","","","0.9917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513869","16.2999","0.0006","16.2999","0.0006","22.8438","0.0009","90","","90","","120","","5256.2","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Co Cr N3 P4 -","- C48 H60 Co Cr N3 P4 -","- C192 H240 Co4 Cr4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0431","0.0306","","0.0968","0.0819","0.0968","","","","","","1.0465","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513870","10.7036","0.0003","22.2854","0.0006","22.5333","0.0006","61.763","0.001","81.327","0.001","87.515","0.001","4678.8","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H57 Cr Cu I N3 O0.75 P3 -","- C48 H57 Cr Cu I N3 O0.75 P3 -","- C192 H228 Cr4 Cu4 I4 N12 O3 P12 -","4","2","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0729","0.0533","","0.1193","0.1142","0.1193","","","","","","1.0135","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513871","5.673","0.0011","8.3677","0.0017","31.795","0.006","90","","90","","90","","1509.3","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0925","0.0834","","","0.1875","0.1904","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513872","6.6316","0.0013","9.2654","0.0019","26.038","0.005","90","","90","","90","","1599.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 O5 P -","- C17 H17 O5 P -","- C68 H68 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0458","0.0397","","","0.0908","0.0962","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513873","25.33","0.004","6.664","0.0008","16.09","0.002","90","","121.291","0.016","90","","2320.9","0.7","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H25 O5 P -","- C29 H25 O5 P -","- C116 H100 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0814","0.063","","","0.129","0.1415","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513874","11.779","0.0013","17.451","0.002","13.849","0.0016","90","","110.544","0.004","90","","2665.7","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H83 O7 P -","- C56 H83 O7 P -","- C112 H166 O14 P2 -","2","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0624","0.0524","","","0.0955","0.0999","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513875","16.527","0.003","18.866","0.004","26.157","0.005","90","","90","","90","","8156","3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H66 Cl2 O19 P4 Rh2 -","- C70 H61 Cl2 O19 P4 Rh2 -","- C280 H244 Cl8 O76 P16 Rh8 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0514","0.0481","","","0.1192","0.1213","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513876","12.9479","0.0005","12.9479","0.0005","16.3112","0.0005","90","","90","","120","","2368.18","0.15","122","1","122","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C27 H27 Er N4 O3 -","- C27 H27 Er N4 O3 -","- C108 H108 Er4 N16 O12 -","4","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","MoKα","","0.0365","0.0203","","","","0.0472","","","","","","1.0199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513877","13.0245","","13.0245","","11.15","0.08","90","","90","","120","","1638","12","122","1","122","1","","","","","","","","6","P -3","-P 3","147","","","","- C30 H30 Er I3 N4 O3 -","- C30 H30 Er I3 N4 O3 -","- C60 H60 Er2 I6 N8 O6 -","2","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","","","0.0959","0.0653","","","","0.1764","","","","","","1.1027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513878","12.5689","0.0004","15.0967","0.0005","14.9942","0.0005","90","","109.98","0.001","90","","2673.89","0.15","122","1","122","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Erbium-5-chlorotrensal","","","- C27 H24 Cl3 Er N4 O3 -","- C27 H24 Cl3 Er N4 O3 -","- C108 H96 Cl12 Er4 N16 O12 -","4","1","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","","","0.0286","0.0204","","","0.0416","0.0459","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514137","15.98","0.003","14.393","0.002","24.368","0.004","90","","90","","90","","5604.6","1.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Fe N2 O -","- C27 H35 Cl3 Fe N2 O -","- C216 H280 Cl24 Fe8 N16 O8 -","8","1","","Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A.","Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates","Chemical Science","2014","5","4","1526","","10.1039/c3sc52533c","","","0.71073","MoKα","","0.0968","0.0594","","","0.1406","0.1665","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514138","6.6348","0.0009","11.6431","0.0015","10.7797","0.0014","90","","99.155","0.008","90","","822.12","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C36 H34 Cl2 O8 -","2","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0775","0.0407","","","0.0785","0.0906","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514139","6.569","0.008","13.286","0.017","17.05","0.02","90","","90","","90","","1488","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","x-ray","0.71073","MoKα","","0.0696","0.0453","","","0.1209","0.1392","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514140","6.465","0.005","16.927","0.005","29.143","0.005","90","","90","","90","","3189","3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C144 H120 Cl8 O32 -","8","2","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0477","0.0387","","","0.0872","0.0913","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514274","14.997","0.003","8.3386","0.0015","17.151","0.003","90","","99.979","0.003","90","","2112.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Mo N2 O6 -","- C17 H40 Mo N2 O6 -","- C68 H160 Mo4 N8 O24 -","4","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0198","0.0181","","","0.047","0.0479","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514275","10.7577","0.0011","13.0244","0.0013","25.943","0.003","90","","90.884","0.002","90","","3634.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H72 Mo N6 O8 P4 -","- C82 H72 Mo N6 O8 P4 -","- C164 H144 Mo2 N12 O16 P8 -","2","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0373","0.0355","","","0.091","0.0918","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514276","21.931","0.008","12.235","0.005","26.654","0.01","90","","92.141","0.006","90","","7147","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cl6 Mo N2 O7 P4 -","- C77.213 H67.813 Cl6.458 Mo N2 O6.071 P4 -","- C308.852 H271.252 Cl25.832 Mo4 N8 O24.284 P16 -","4","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0716","0.0596","","","0.1653","0.1785","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514277","9.5528","0.0006","10.1091","0.0005","16.166","0.0009","90","","104.844","0.005","90","","1509.05","0.15","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","0.71073","MoKα","","0.0833","0.0515","","","0.0891","0.1023","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514278","10.7552","0.0007","10.1502","0.0007","14.9906","0.0008","90","","93.447","0.005","90","","1633.52","0.18","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","0.71073","MoKα","","0.0814","0.0471","","","0.1","0.1191","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514279","5.6981","0.0007","8.6185","0.0007","32.841","0.007","90","","90","","90","","1612.8","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","1.5418","CuKα","","0.0786","0.0626","","","0.1561","0.1667","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514280","13.4714","0.0004","5.8443","0.0002","19.1637","0.0006","90","","103.276","0.003","90","","1468.45","0.08","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","1.5418","CuKα","","0.0514","0.0406","","","0.1023","0.1103","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514281","13.2321","0.0001","15.7048","0.0001","16.7382","0.0002","90","","114.833","0.0005","90","","3156.7","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Cl2 N O4 P2 Re -","- C27 H44 Cl2 N O4 P2 Re -","- C108 H176 Cl8 N4 O16 P8 Re4 -","4","1","","Vogt, Matthias; Nerush, Alexander; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Reversible CO2 binding triggered by metal‒ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen","Chemical Science","2014","5","5","2043","","10.1039/c4sc00130c","","","0.71073","MoKα","","0.0529","0.0384","","","0.0939","0.0995","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514289","12.949","0.002","17.658","0.003","32.897","0.005","90","","90.081","0.005","90","","7522","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(4,8,14,18,23,27-hexa-azonia-1,11-diaza-6(9,10)-anthracena-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane perrhenate clathrate) penta(triflate) heptahydrate","","","- C49 H78 F15 N8 O26 Re S5 -","- C49 H64 F15 N8 O26 Re S5 -","- C196 H256 F60 N32 O104 Re4 S20 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik","Fluorescent sensing of 99Tc pertechnetate in water","Chemical Science","2014","5","5","1820","","10.1039/c3sc53504e","","","0.71073","MoKα","","0.093","0.0595","","","0.1547","0.1786","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514290","13.0099","0.0002","17.557","0.0004","32.9333","0.0004","90","","89.226","0.001","90","","7521.8","0.2","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(4,8,14,18,23,27-hexa-azonia-1,11-diaza-6(9,10)-anthracena-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane pertechnetate clathrate) penta(triflate) heptahydrate","","","- C49 H78 F15 N8 O26 S5 Tc -","- C49 H78 F15 N8 O26 S5 Tc -","- C196 H312 F60 N32 O104 S20 Tc4 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik","Fluorescent sensing of 99Tc pertechnetate in water","Chemical Science","2014","5","5","1820","","10.1039/c3sc53504e","","","1.54184","CuKα","","0.124","0.1125","","","0.3608","0.38","","","","","","1.717","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1514291","4.865","0.001","7.057","0.0014","15.151","0.003","88.73","0.03","84.04","0.03","82.71","0.03","513.15","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 F2 O2 -","- C11 H10 F2 O2 -","- C22 H20 F4 O4 -","2","1","","Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen","Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes","Chemical Science","2014","5","5","1934","","10.1039/c4sc00221k","","","0.7107","MoKα","","0.159","0.0716","","","0.1644","0.2356","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514292","11.1925","0.0012","8.1206","0.0009","21.465","0.002","90","","101.402","0.003","90","","1912.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C80 H76 Cl4 N8 O16 -","4","2","","Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang","Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation","Chemical Science","2014","5","5","1988","","10.1039/c3sc53314j","","","0.71073","MoKα","","0.044","0.0381","","","0.1157","0.1229","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514293","11.5495","0.0011","21.268","0.002","28.17","0.003","90","","90","","90","","6919.5","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H62 Al Co N2 O8 -","- C66 H62 Al Co N2 O8 -","- C264 H248 Al4 Co4 N8 O32 -","4","1","","Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W.","Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides","Chemical Science","2014","5","5","1928","","10.1039/c4sc00075g","","","0.71073","MoKα","","0.0864","0.0576","","","0.137","0.1481","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514294","5.7359","0.0002","17.005","0.0004","9.7453","0.0007","90","","102.621","0.007","90","","927.58","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H22 F3 N O2 S -","- C19 H22 F3 N O2 S -","- C38 H44 F6 N2 O4 S2 -","2","1","","Buesking, Andrew W.; Ellman, Jonathan A.","Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls","Chemical Science","2014","5","5","1983","","10.1039/c4sc00084f","","","1.54178","CuKα","","0.0399","0.0377","","","0.0917","0.0926","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514295","14.0939","0.0012","19.1285","0.0016","26.663","0.002","90","","90","","90","","7188.2","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 F3 N3 O3 Pt S -","- C37 H30 F3 N3 O3 Pt S -","- C296 H240 F24 N24 O24 Pt8 S8 -","8","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0347","0.0269","","","0.0588","0.0609","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514296","10.3618","0.0009","12.3271","0.0011","14.6981","0.0012","81.352","0.002","88.049","0.002","80.752","0.002","1831.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H20 Cl2 F9 N3 O3 Pt S -","- C35 H20 Cl2 F9 N3 O3 Pt S -","- C70 H40 Cl4 F18 N6 O6 Pt2 S2 -","2","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0376","0.0355","","","0.0885","0.0899","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514297","9.7989","0.0016","9.7523","0.0016","22.829","0.004","90","","90.326","0.002","90","","2181.5","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C100 H84 Br4 N8 O12 -","4","2","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0894","0.0639","","","0.1289","0.1384","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514298","14.395","0.003","10.661","0.002","15.136","0.003","90","","95.588","0.003","90","","2311.8","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N O4 -","- C11 H8 F3 N O4 -","- C88 H64 F24 N8 O32 -","8","2","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.095","0.0582","","","0.1376","0.1588","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514299","21.2628","0.0015","21.2628","0.0015","9.0321","0.0009","90","","90","","90","","4083.5","0.6","123","","123","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H22 N2 O2 -","- C25 H21 N2 O2 -","- C200 H168 N16 O16 -","8","1","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0626","0.0441","","","0.0888","0.095","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514300","10.3326","0.0005","6.3617","0.0003","14.1521","0.0007","90","","96.731","0.002","90","","923.85","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker","Organocatalytic [4+2] addition reactions via tetraenamine intermediate","Chemical Science","2014","5","5","2052","","10.1039/c4sc00081a","","","0.56086","AgKα","","0.0384","0.0344","","","0.0754","0.0774","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514301","4.188","0.005","21.206","0.005","30.008","0.005","90","0.005","91.247","0.005","90","0.005","2664","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N10 O2.88 -","- C30 H22 N10 O2.89 -","- C120 H88 N40 O11.56 -","4","1","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","1.5418","CuKα","","0.1065","0.0828","","","0.2076","0.2368","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514302","11.4645","0.0005","16.4498","0.0005","16.6038","0.0006","105.696","0.002","102.138","0.002","95.838","0.002","2904.99","0.19","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl3 Fe N6 -","- C33 H23 Cl3 Fe N6 -","- C132 H92 Cl12 Fe4 N24 -","4","2","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.0692","0.042","","","0.0926","0.1077","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514303","40","0.02","7.73","0.003","19.823","0.01","90","","97.713","0.014","90","","6074","5","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H37 Cl2 N15 O6 Re2 -","- C62 H37 Cl2 N15 O6 Re2 -","- C248 H148 Cl8 N60 O24 Re8 -","4","0.5","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.0992","0.0619","","","0.1535","0.1846","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514304","11.1876","0.0013","12.2069","0.0018","12.521","0.002","112.398","0.003","100.82","0.005","90.607","0.007","1546.5","0.4","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag F6 N6 Sb -","- C28 H18 Ag F6 N6 Sb -","- C56 H36 Ag2 F12 N12 Sb2 -","2","1","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.034","0.0292","","","0.087","0.09","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514305","14.809","0.003","21.668","0.004","24.158","0.005","105.56","0.03","94.22","0.03","90.62","0.03","7444","3","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5 -","- C64 H52.25 Cl Fe2 N13 O2.625 Pd Pt0.5 -","- C256 H209 Cl4 Fe8 N52 O10.5 Pd4 Pt2 -","4","2","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.7108","Synchrotron","","0.1333","0.0934","","","0.2786","0.305","","","","","","1","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514308","29.522","0.004","11.3531","0.0014","16.459","0.002","90","","102.536","0.001","90","","5385","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H87 Cl2 Co2 N2 P4 -","- C50.516 H87 Cl2 Co2 N2 P4 -","- C202.064 H348 Cl8 Co8 N8 P16 -","4","0.5","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0656","0.0554","","","0.1412","0.1492","","","","","","1.155","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514309","15.6128","0.0005","9.7824","0.0003","16.1191","0.0005","90","","106.659","0.002","90","","2358.55","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Co I N P2 -","- C20 H38 Co I N P2 -","- C80 H152 Co4 I4 N4 P8 -","4","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","1.54178","CuKα","","0.0372","0.034","","","0.0986","0.1026","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514310","10.4893","0.0002","11.4272","0.0002","16.7767","0.0003","75.494","0.001","74.128","0.001","64.032","0.001","1718.98","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 Co N P2 -","- C37 H49 Co N P2 -","- C74 H98 Co2 N2 P4 -","2","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","1.54178","CuKα","","0.0288","0.0273","","","0.0696","0.0706","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514311","13.885","0.005","11.36","0.005","16.179","0.005","90","","94.627","0.005","90","","2543.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Co N P3 -","- C22 H45 Co N P3 -","- C88 H180 Co4 N4 P12 -","4","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0311","0.0246","","","0.063","0.0699","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514312","10.0117","0.0013","10.3818","0.0013","15.817","0.002","95.298","0.002","96.632","0.003","116.746","0.002","1438.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H51 Co N P3 -","- C25 H51 Co N P3 -","- C50 H102 Co2 N2 P6 -","2","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0331","0.0272","","","0.0677","0.0712","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514313","19.236","0.005","9.591","0.005","11.786","0.005","90","","100.635","0.005","90","","2137.1","1.5","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 Co N P2 -","- C19 H38 Co N P2 -","- C76 H152 Co4 N4 P8 -","4","0.5","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0339","0.0272","","","0.0794","0.0834","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514314","9.8268","0.0008","14.9773","0.0012","13.5372","0.0011","90","","111.255","0.001","90","","1856.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","","","- C24 H17 O2 Sb -","- C24 H17 O2 Sb -","- C96 H68 O8 Sb4 -","4","1","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.0223","0.02","","","0.0482","0.049","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514315","10.0011","0.0008","21.4018","0.0018","16.9437","0.0011","90","","122.404","0.003","90","","3062","0.4","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","none","","","- C30 H31 Cl4 F N3 O2 S Sb -","- C30 H31 Cl4 F N3 O2 S Sb -","- C120 H124 Cl16 F4 N12 O8 S4 Sb4 -","4","1","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.08","0.0693","","","0.189","0.1988","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514316","14.7131","0.0016","16.7493","0.0018","27.433","0.003","90","","90","","90","","6760.4","1.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","none","","","- C38 H37 F N3 O4 S Sb -","- C38 H37 F N3 O4 S Sb -","- C304 H296 F8 N24 O32 S8 Sb8 -","8","2","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.049","0.0391","","","0.0908","0.0957","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514318","17.9132","0.0006","11.6738","0.0004","21.3034","0.0008","90","","90","","90","","4454.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mo N2 O4 -","- C22 H24 Mo N2 O4 -","- C176 H192 Mo8 N16 O32 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.0315","0.024","","","0.0601","0.0647","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514319","29.9821","0.0016","15.8708","0.0009","11.837","0.0006","90","","90","","90","","5632.5","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49 H80 K2 N2 O16 W -","- C49 H80 K2 N2 O16 W0.9882 -","- C196 H320 K8 N8 O64 W3.9528 -","4","0.5","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","","1.54178","CuKα","","0.0968","0.077","","","0.1851","0.198","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514320","17.8251","0.0009","11.6986","0.0006","21.3193","0.0011","90","","90","","90","","4445.7","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 W -","- C22 H24 N2 O4 W -","- C176 H192 N16 O32 W8 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.02","0.0159","","","0.0364","0.0387","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514321","12.213","0.0003","18.7469","0.0005","15.488","0.0004","90","","107.674","0.001","90","","3378.69","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 K N2 O11 W -","- C30 H40 K N2 O11 W -","- C120 H160 K4 N8 O44 W4 -","4","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","","0.71073","","","0.0317","0.0226","","","","0.0898","","","","","","0.7312","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514341","6.53547","0.00018","9.4651","0.0004","26.193","0.001","83.956","0.003","84.79","0.003","89.716","0.003","1604.59","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H50 N2 O8 S2 -","- C27 H50 N2 O8 S2 -","- C54 H100 N4 O16 S4 -","2","1","","Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay","Pattern-based sensing of aminoglycosides with fluorescent amphiphiles","Chemical Science","2014","5","6","2456","","10.1039/c4sc00737a","","","1.54178","CuKα","","0.0375","0.0335","","","0.0935","0.098","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514359","16.6402","0.0003","27.6773","0.0007","39.7657","0.0006","90","","90.466","0.002","90","","18313.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C217 H85 Cl23 Dy2 N24 O -","- C216 H84 Cl20 Dy2 N24 O -","- C864 H336 Cl80 Dy8 N96 O4 -","4","1","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.5418","CuKα","","0.1192","0.0977","","","0.2745","0.2955","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514360","22.5698","0.0004","15.6246","0.0002","24.1908","0.0004","90","","96.681","0.002","90","","8472.8","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C136 H40 Cl4 Dy N12 O0 -","- C136 H40 Cl4 Dy N12 -","- C544 H160 Cl16 Dy4 N48 -","4","0.5","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.5418","CuKα","","0.0558","0.0524","","","0.1268","0.1312","","","","","","0.604","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514361","19.3998","0.0002","28.3596","0.0003","24.7203","0.0002","90","","90","","90","","13600.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C220 H60 Cl8 Dy N12 O0 -","- C220 H60 Cl8 Dy N12 -","- C880 H240 Cl32 Dy4 N48 -","4","1","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.54184","CuKα","","0.1245","0.1191","","","0.2587","0.261","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514376","15.3435","0.0004","17.6683","0.0005","21.002","0.0005","65.712","0.003","71.109","0.003","68.54","0.003","4728","0.3","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 F18 N O2 W -","- C25 H27 F18 N O2 W -","- C150 H162 F108 N6 O12 W6 -","6","3","","Mougel, V.; Copéret, C.","Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts","Chemical Science","2014","5","6","2475","","10.1039/c4sc00230j","","","0.7107","MoKα","","0.0972","0.0521","","","0.1216","0.1715","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514377","43.4252","0.0018","8.333","0.0004","36.214","0.002","90","","113.942","0.0018","90","","11977","1","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H134 Cl13 N8 O6 P -","- C109.992 H133.984 Cl12.992 N8 O6 P -","- C439.968 H535.936 Cl51.968 N32 O24 P4 -","4","0.5","","Furuyama, Taniyuki; Yoshida, Takuya; Hashizume, Daisuke; Kobayashi, Nagao","Phosphorus(v) tetraazaporphyrins: porphyrinoids showing an exceptionally strong CT band between the Soret and Q bands","Chemical Science","2014","5","6","2466","","10.1039/c4sc00569d","","","0.71073","MoKα","","0.1167","0.0689","","","0.1951","0.2169","","","","","","0.943","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514378","15.6555","0.0015","18.868","0.0018","18.2423","0.0018","90","","98.761","0.001","90","","5325.7","0.9","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 B F22 N P2 Pt -","- C55 H42 B F22 N P2 Pt -","- C220 H168 B4 F88 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0854","0.0758","","","0.1697","0.1738","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514379","15.495","0.002","18.673","0.003","22.444","0.002","90","","125.955","0.007","90","","5256.7","1.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H39 B F23 N P2 Pt -","- C54 H39 B F23 N P2 Pt -","- C216 H156 B4 F92 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0376","0.0285","","","0.064","0.067","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514380","19.446","0.02","15.82","0.016","15.256","0.015","90","","107.781","0.014","90","","4469","8","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 B11 Cl12 F2 N P2 Pt -","- C25 H35 B11 Cl12 F2 N P2 Pt -","- C100 H140 B44 Cl48 F8 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0941","0.0556","","","0.1086","0.1198","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514381","11.9663","0.0007","12.5933","0.0008","19.2781","0.0012","76.089","0.0008","85.2516","0.0009","62.9902","0.0007","2511.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 B F2 N5 -","- C30 H22 B F2 N5 -","- C120 H88 B4 F8 N20 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.1209","0.0562","","","0.1089","0.133","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514382","33.428","0.002","11.5134","0.0007","13.9925","0.0009","90","","111.419","0.003","90","","5013.4","0.5","103","0.1","103","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H24 B Cl F2 N4 -","- C30.5 H24 B Cl F2 N4 -","- C244 H192 B8 Cl8 F16 N32 -","8","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.1025","0.0522","","","0.1127","0.1374","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514383","12.0332","0.0008","14.8026","0.001","15.5572","0.001","89.0111","0.0008","83.545","0.0008","72.8575","0.0008","2630.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 B F2 N4 -","- C32 H27 B F2 N4 -","- C128 H108 B4 F8 N16 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0611","0.0432","","","0.1106","0.1217","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514384","10.7533","0.0007","13.3999","0.0008","24.5025","0.0015","91.7881","0.0008","95.0164","0.0008","100.258","0.0008","3457","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 B F2 N4 -","- C40 H43 B F2 N4 -","- C160 H172 B4 F8 N16 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0957","0.0597","","","0.1359","0.1575","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514385","15.7903","0.0006","11.9086","0.0005","15.8933","0.0007","90","","94.469","0.0005","90","","2979.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 B F2 N4 -","- C36 H35 B F2 N4 -","- C144 H140 B4 F8 N16 -","4","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0637","0.0404","","","0.0938","0.1059","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514386","14.0731","0.0002","11.5359","0.0002","31.2056","0.0004","90","","93.7226","0.0005","90","","5055.41","0.13","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H18 B Cl3 F2 N4 -","- C28.5 H18 B Cl3 F2 N4 -","- C228 H144 B8 Cl24 F16 N32 -","8","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","1.54178","CuKα","","0.0355","0.0335","","","0.0989","0.1009","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514392","11.4992","0.0007","24.3436","0.0015","15.0944","0.001","90","","112.268","0.001","90","","3910.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl N O5 -","- C42 H56 Cl N O5 -","- C168 H224 Cl4 N4 O20 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0931","0.0649","","","0.176","0.1983","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514393","5.1885","0.001","14.53","0.003","19.501","0.004","90","","90","","90","","1470.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C64 H80 Cl4 N4 O4 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0309","0.0273","","","0.0629","0.0648","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514394","7.8652","0.0018","13.56","0.003","19.207","0.004","90","","90","","90","","2048.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O4 -","- C24 H18 Cl N O4 -","- C96 H72 Cl4 N4 O16 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0599","0.0636","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514395","16.49","0.001","16.49","0.001","14.05","0.001","90","","90","","120","","3308.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -3 1 c","-P 3 2c","163","","","","- C51 H33 N7 O20 Zn3 -","- C51.04 H24 N6.99 O19.98 Zn3 -","- C102.08 H48 N13.98 O39.96 Zn6 -","2","0.166667","","Park, Hye Jeong; Suh, Myunghyun Paik","Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions","Chemical Science","2013","4","2","685","","10.1039/c2sc21253f","","x-ray","0.8","synchrotron","","0.1193","0.1131","","","0.3384","0.3453","","","","","","1.58","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514396","19.1854","0.0003","19.6691","0.0004","24.6274","0.0004","90","","108.482","0.0009","90","","8814.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H90 N2 Pt -","- C84 H90 N2 Pt -","- C336 H360 N8 Pt4 -","4","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways","Chemical Science","2013","4","2","770","","10.1039/c2sc21917d","","","0.71073","MoKα","","0.085","0.0616","","","0.1495","0.1603","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514397","12.0941","0.0003","15.39","0.0004","25.2421","0.0005","101.259","0.0009","98.6734","0.001","111.101","0.0007","4171.5","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C102.5 H113 Cl N2 Pt -","- C78 H85 Cl N2 Pt -","- C156 H170 Cl2 N4 Pt2 -","2","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways","Chemical Science","2013","4","2","770","","10.1039/c2sc21917d","","","0.71073","MoKα","","0.041","0.0366","","","0.094","0.097","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514399","6.0689","0.0006","11.699","0.0013","19.4385","0.0019","90","","98.695","0.011","90","","1364.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tert.-butylglyoxylic acid dimer","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Ley, David; Gerbig, Dennis; Schreiner, Peter R.","Tunneling control of chemical reactions: C‒H insertion versus H-tunneling in tert-butylhydroxycarbene","Chemical Science","2013","4","2","677","","10.1039/c2sc21555a","","","0.71073","MoKα","","0.048","0.0414","","","0.1452","0.1566","","","","","","0.686","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514400","23.5319","0.0008","12.9011","0.0005","16.0719","0.0006","90","","106.846","0.002","90","","4669.8","0.3","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 F40 N4 U -","- C48 F40 N4 U -","- C192 F160 N16 U4 -","4","0.5","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0204","0.0179","","","0.0445","0.0456","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514401","38.651","0.003","12.3736","0.0009","19.957","0.0014","90","","99.992","0.003","90","","9399.7","1.2","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H20 F20 N4 U -","- C48 H20 F20 N4 U -","- C384 H160 F160 N32 U8 -","8","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0307","0.0245","","","0.0652","0.0681","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514402","11.0728","0.0003","11.7379","0.0004","20.3378","0.0006","79.419","0.002","80.189","0.001","84.54","0.002","2554.81","0.14","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H16 F30 N3 O2 U -","- C44 H16 F30 N3 O2 U -","- C88 H32 F60 N6 O4 U2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0213","0.0184","","","0.0457","0.0466","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514403","13.4814","0.0008","16.1925","0.001","19.0979","0.0011","76.559","0.003","87.948","0.003","84.674","0.003","4036.9","0.4","143","1","143","1","","","","","","","","7","P -1","-P 1","2","","","","- C88.5 H66 F18 N3 O2 P2 U -","- C88.5 H66 F18 N3 O2 P2 U -","- C177 H132 F36 N6 O4 P4 U2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0964","0.0588","","","0.1441","0.167","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514404","10.0174","0.0007","15.9406","0.0012","7.9776","0.0006","90","","90","","90","","1273.89","0.16","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 F6 N -","- C14 H9 F6 N -","- C56 H36 F24 N4 -","4","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0263","0.0246","","","0.0642","0.0655","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514405","10.8866","0.0007","11.9211","0.0007","12.8559","0.0008","111.365","0.003","100.052","0.003","109.196","0.003","1382.79","0.16","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 F6 K N O3 -","- C26 H32 F6 K N O3 -","- C52 H64 F12 K2 N2 O6 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.061","0.0517","","","0.1458","0.1545","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514406","8.4008","0.0005","10.5747","0.0006","11.1333","0.0007","77.131","0.003","69.962","0.003","75.663","0.002","889.84","0.09","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F10 K N O -","- C16 H10 F10 K N O -","- C32 H20 F20 K2 N2 O2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0285","0.0258","","","0.0722","0.0747","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514407","24.2328","0.0016","12.7508","0.0008","24.1585","0.0015","90","","109.123","0.003","90","","7052.8","0.8","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H42 F25 K N6 U -","- C66 H42 F25 K N6 U -","- C264 H168 F100 K4 N24 U4 -","4","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.055","0.0473","","","0.102","0.1046","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514408","14.0368","0.0015","15.1189","0.0017","15.1242","0.0017","85.358","0.006","85.555","0.005","86.35","0.006","3184.2","0.6","230","2","230","2","","","","","","","","6","P -1","-P 1","2","BMOF-1-dcppy-Ir","","","- C34 H18 Ir0.11 N4 O8 Zn2 -","- C34 H18 Ir0.11 N4 O8 Zn2 -","- C68 H36 Ir0.22 N8 O16 Zn4 -","2","1","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","1.54178","CuKα","","0.1356","0.1074","","","0.3089","0.3298","","","","","","1.337","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514409","15.093","0.006","15.093","0.006","9.62","0.004","90","","90","","90","","2191.4","1.5","250","2","250","2","","","","","","","","6","P 4/m m m","-P 4 2","123","DMOF-1-dcppy(Rh)","","","- C26 H8 N10 O8 Rh Zn2 -","- C26.08 H8 N10 O8 Rh0.96 Zn2 -","- C26.08 H8 N10 O8 Rh0.96 Zn2 -","1","0.0625","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","0.71073","MoKα","","0.0998","0.0908","","","0.2529","0.262","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514410","14.0869","0.0013","15.1333","0.0017","15.1402","0.0015","86.517","0.007","87.286","0.005","86.896","0.005","3213.8","0.6","230","2","230","2","","","","","","","","6","P -1","-P 1","2","BMOF-1-dcppy(Rh)","","","- C36 H21 N4 O8 Rh0.15 Zn2 -","- C36 H21 N4 O8 Rh0.08 Zn2 -","- C72 H42 N8 O16 Rh0.16 Zn4 -","2","1","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","1.54178","CuKα","","0.0599","0.0518","","","0.1517","0.1572","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514411","15.093","0.006","15.093","0.006","9.62","0.004","90","","90","","90","","2191.4","1.5","250","2","250","2","","","","","","","","6","P 4/m m m","-P 4 2","123","DMOF-1-dcppy(Ir)","","","- C24 H8 Ir0.29 N6 O8 Zn2 -","- C24 H8 Ir0.28 N6 O8 Zn2 -","- C24 H8 Ir0.28 N6 O8 Zn2 -","1","0.0625","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","0.71073","MoKα","","0.1677","0.1567","","","0.3555","0.3458","","","","","","1.25","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514412","11.2823","0.0003","16.8988","0.0004","22.9869","0.0006","81.236","0.002","79.739","0.002","81.615","0.002","4230.32","0.19","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 P Si -","- C25 H23 P Si -","- C200 H184 P8 Si8 -","8","4","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0824","0.0539","","","0.1272","0.139","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514413","18.8666","0.0004","22.2888","0.0005","25.4992","0.0006","90","","100.652","0.002","90","","10538","0.4","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H70 Li2 N2 P2 Si4 -","- C50 H70 Li2 N2 P2 Si4 -","- C400 H560 Li16 N16 P16 Si32 -","8","2","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0773","0.0596","","","0.1549","0.1685","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514414","30.6079","0.0011","12.39475","0.00017","22.0579","0.0008","90","","128.948","0.006","90","","6508.1","0.6","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H86 Ca N2 P2 Si4 -","- C64 H86 Ca N2 P2 Si4 -","- C256 H344 Ca4 N8 P8 Si16 -","4","0.5","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.065","0.0458","","","0.1333","0.1446","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514415","11.1459","0.0003","20.7732","0.0004","16.6276","0.0003","90","","100.782","0.0019","90","","3781.92","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 N2 P Si4 Y -","- C31 H52 N2 P Si4 Y -","- C124 H208 N8 P4 Si16 Y4 -","4","1","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0829","0.0406","","","0.0841","0.0923","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514416","11.569","0.0013","12.623","0.0015","20.413","0.003","97.57","0.011","102.49","0.012","113.57","0.008","2587.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C159 H60 I2 N2 O20 -","- C159 H60 I2 N2 O20 -","- C159 H60 I2 N2 O20 -","1","0.5","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.1003","0.09","","","0.1444","0.1491","","","","","","1.307","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514417","14.3061","0.0015","14.457","0.002","15.4664","0.0019","76.592","0.015","66.58","0.013","61.681","0.01","2580.3","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H17 Cl6 N O8 -","- C71 H17 Cl6 N O8 -","- C142 H34 Cl12 N2 O16 -","2","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.0642","0.0506","","","0.1379","0.1434","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514418","18.742","0.004","13.442","0.003","18.553","0.004","90","","114.4","0.003","90","","4256.6","1.6","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C65 H5 N O5 -","- C65 H5 N O5 -","- C260 H20 N4 O20 -","4","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.0789","0.0621","","","0.1519","0.1607","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514419","12.754","0.003","12.843","0.003","14.63","0.003","78.32","0.03","82.27","0.03","68.22","0.03","2174.6","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H6 Cl6 I N O5 -","- C67 H6 Cl6 I N O5 -","- C134 H12 Cl12 I2 N2 O10 -","2","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.2178","0.1914","","","0.4383","0.4514","","","","","","2.223","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514420","19.163","0.006","13.468","0.004","18.553","0.007","90","","114.32","0.004","90","","4363","3","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C68 H9 N O7 -","- C68 H9 N O7 -","- C272 H36 N4 O28 -","4","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.184","0.119","","","0.2952","0.3354","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514421","11.3252","0.0004","14.7748","0.0005","24.3057","0.0008","90","","90.686","0.002","90","","4066.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H114 N8 O8 S4 Yb2 -","- C80 H114 N8 O8 S4 Yb2 -","- C160 H228 N16 O16 S8 Yb4 -","2","0.5","","Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming","An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies","Chemical Science","2013","4","2","747","","10.1039/c2sc21541a","","","1.54178","CuKα","","0.0573","0.0495","","","0.1125","0.1183","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514422","15.4085","0.0003","20.2602","0.0003","21.0264","0.0004","90","","102.87","0.002","90","","6399.1","0.2","123.01","0.11","123.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Co K O4 -","- C36 H40 Co K O4 -","- C288 H320 Co8 K8 O32 -","8","2","","Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel","Highly chemoselective cobalt-catalyzed biaryl coupling reactions","Chemical Science","2013","4","2","776","","10.1039/c2sc21667a","","","1.5418","CuKα","","0.0956","0.0631","","","0.1601","0.18","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514423","15.3062","0.0001","47.6192","0.0003","15.6327","0.0001","90","","108.576","0.0003","90","","10800.6","0.12","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 Cl16 Dy2 N8 O74 Si2 W20 -","- C136 Cl16 Dy2 N8 O74 Si2 W20 -","- C272 Cl32 Dy4 N16 O148 Si4 W40 -","2","0.5","","Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka","Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates","Chemical Science","2013","4","2","596","","10.1039/c2sc21619a","","","0.71069","MoKY=a","","0.0518","0.0493","","","0.116","0.1177","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514424","15.2981","0.0001","47.7123","0.0004","15.6288","0.0001","90","","108.609","0.0005","90","","10811.2","0.14","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 Cl16 Gd2 N8 O74 Si2 W20 -","- C136 Cl16 Gd2 N8 O74 Si2 W20 -","- C272 Cl32 Gd4 N16 O148 Si4 W40 -","2","0.5","","Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka","Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates","Chemical Science","2013","4","2","596","","10.1039/c2sc21619a","","","0.71069","MoKY=a","","0.0702","0.0659","","","0.1787","0.1867","","","","","","1.179","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514425","12.2769","0.0004","12.2829","0.0005","22.2697","0.0008","90","","91.868","0.002","90","","3356.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3 in manuscript","","","- C32 H41 Au Cl2 N2 O2 -","- C32 H41 Au Cl2 N2 O2 -","- C128 H164 Au4 Cl8 N8 O8 -","4","1","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0453","0.0282","","","0.0629","0.0701","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514426","10.2357","0.0003","12.3159","0.0003","28.5345","0.0007","90","","96.224","0.002","90","","3575.91","0.16","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4 in manuscript","","","- C35 H46 Au Cl2 N3 O -","- C35 H46 Au Cl2 N3 O -","- C140 H184 Au4 Cl8 N12 O4 -","4","1","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0451","0.0343","","","0.0755","0.0797","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514427","27.6","0.0018","27.6","0.0018","21.2131","0.0013","90","","90","","90","","16159.3","1.8","200","2","200","2","","","","","","","","8","P 41","P 4w","76","5 in manuscript","","","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C580 H760 Au16 Cl16 F48 N48 O64 S16 -","16","4","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0874","0.0558","","","0.1305","0.1458","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514428","14.9639","0.0011","16.2074","0.001","16.6904","0.0012","68.074","0.001","65.602","0.002","86.227","0.001","3400.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H74 F6 N6 O10 P2 -","- C66 H76 F6 N6 O10 P2 -","- C132 H152 F12 N12 O20 P4 -","2","1","","Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong","Phosphine oxide functional group based three-station molecular shuttle","Chemical Science","2013","4","4","1701","","10.1039/c3sc22048f","","","0.71073","MoKα","","0.0837","0.0577","","","0.1132","0.1186","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514430","30.926","0.005","30.926","0.005","45.103","0.007","90","","90","","90","","43137","12","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H111 Cu3 N19 O35 -","- C36 H15 Cu3 N9 O15 -","- C576 H240 Cu48 N144 O240 -","16","1","","Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin","Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework","Chemical Science","2013","4","4","1731","","10.1039/c3sc21769h","","","0.6889","Synchrotron","","0.0812","0.0649","","","0.189","0.201","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514431","19.744","0.004","19.587","0.004","32.31","0.007","90","","90","","90","","12495","4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H44 Br4 N8 O7 -","- C62 H44 Br4 N8 O7 -","- C496 H352 Br32 N64 O56 -","8","1","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.1787","0.0895","","","0.2549","0.3053","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514432","22.03","0.004","27.145","0.005","10.285","0.002","90","","116.38","0.03","90","","5510","2","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","0.5","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.0922","0.0812","","","0.2306","0.243","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514433","17.243","0.003","17.243","0.003","20.157","0.006","90","","90","","90","","5993","2","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-12","","","- C11 H16 Co N6 O3 -","- C11 H16 Co N6 O3 -","- C176 H256 Co16 N96 O48 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.0899","0.0474","","","0.0855","0.0985","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514434","15.7869","0.001","15.7869","0.001","22.328","0.003","90","","90","","90","","5564.7","0.9","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-13","","","- C9 H15 Co N5 O3 -","- C9 H10 Co N5 O3 -","- C144 H160 Co16 N80 O48 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.0687","0.0541","","","0.1677","0.1836","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514435","15.852","0.003","15.852","0.003","22.346","0.008","90","","90","","90","","5615","3","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-14","","","- C10 H14 Co N5 O2.5 -","- C10 H13 Co N5 O2.5 -","- C160 H208 Co16 N80 O40 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.1442","0.0658","","","0.1834","0.2298","","","","","","1.029","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514436","9.1792","0.0004","12.119","0.0004","15.8077","0.0006","85.527","0.003","77.912","0.003","87.404","0.003","1713.51","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 Mg N2 O -","- C37 H58 Mg N2 O -","- C74 H116 Mg2 N4 O2 -","2","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.0998","0.0513","","","0.111","0.1217","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514437","9.0121","0.0002","20.1333","0.0005","19.8758","0.0004","90","","91.504","0.002","90","","3605.09","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H59 Mg N3 -","- C38 H59 Mg N3 -","- C152 H236 Mg4 N12 -","4","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.0673","0.0478","","","0.1115","0.1216","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514438","32.394","0.006","32.394","0.006","11.017","0.002","90","","90","","120","","10012","3","150","2","150","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C40 H53 Mg N3 O2 -","- C40 H53 Mg N3 O2 -","- C360 H477 Mg9 N27 O18 -","9","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.0759","0.0751","","","0.1859","0.1877","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514439","13.5757","0.0017","14.4034","0.0018","18.932","0.002","90","","92.2137","0.0013","90","","3699.1","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H104 Mg2 N6 S2 -","- C78 H104 Mg2 N6 S2 -","- C156 H208 Mg4 N12 S4 -","2","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.091","0.083","","","0.1985","0.2099","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514440","18.964","0.005","12.505","0.003","38.624","0.01","90","","96.385","0.003","90","","9103","4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Mg N4 O1.25 S2 -","- C48 H60 Mg N4 O1.25 S2 -","- C384 H480 Mg8 N32 O10 S16 -","8","2","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.1026","0.0746","","","0.1793","0.1956","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514441","12.703","0.003","21.654","0.005","13.282","0.003","90","","90.01","0.02","90","","3653.5","1.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H110 Mg2 N8 -","- C80 H110 Mg2 N8 -","- C160 H220 Mg4 N16 -","2","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.2566","0.0995","","","0.1516","0.2343","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514442","14.0179","0.0004","13.5976","0.0003","21.7756","0.0006","90","","96.842","0.003","90","","4121.08","0.19","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H61.5 Mg N4 -","- C42.5 H61.5 Mg N4 -","- C170 H246 Mg4 N16 -","4","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.1027","0.064","","","0.1814","0.1953","","","","","","0.978","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514443","29.36","0.004","29.36","0.004","20.776","0.003","90","","90","","120","","15510","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0988","0.0691","","","0.1739","0.187","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514444","29.87","0.004","29.87","0.004","12.0337","0.0015","90","","90","","120","","9298","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1412","0.0873","","","0.171","0.1949","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514445","29.884","0.004","29.884","0.004","11.8868","0.0014","90","","90","","120","","9193","2","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0966","0.0786","","","0.183","0.1938","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514446","29.347","0.002","29.347","0.002","21.287","0.0017","90","","90","","120","","15877","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C82 H83 N6 Ni3 O23 -","- C82 H83.08 N6 Ni3 O23 -","- C492 H498.48 N36 Ni18 O138 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0863","0.0727","","","0.2059","0.2214","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514447","29.368","0.002","29.368","0.002","20.868","0.0015","90","","90","","120","","15586.9","1.9","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H115 N6 Ni3 O31 -","- C89.98 H114.98 N6 Ni3 O30.98 -","- C539.88 H689.88 N36 Ni18 O185.88 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0871","0.0767","","","0.205","0.2183","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514448","29.05","0.002","29.05","0.002","24.502","0.002","90","","90","","120","","17907","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0976","0.0785","","","0.2197","0.2405","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514449","29.106","0.003","29.106","0.003","23.417","0.002","90","","90","","120","","17180","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1246","0.1087","","","0.2907","0.307","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514450","29.151","0.003","29.151","0.003","23.07","0.002","90","","90","","120","","16978","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1399","0.1056","","","0.2761","0.3069","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514451","28.548","0.004","28.548","0.004","26.592","0.003","90","","90","","120","","18769","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C109.5 H80.5 N13.5 Ni3 O13 -","- C109.5 H80.5 N13.5 Ni3 O13 -","- C657 H483 N81 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1926","0.0979","","","0.2434","0.2767","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514452","19.4312","0.001","19.4312","0.001","45.631","0.003","90","","90","","120","","14920.7","1.5","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C57 H34 Co3 N3 O13 -","- C57 H34 Co3 N3 O13 -","- C342 H204 Co18 N18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0491","0.0461","","","0.1377","0.1396","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514453","25.2196","0.0007","11.8584","0.0004","8.5478","0.0003","90","","90","","90","","2556.34","0.14","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H30 O3 Si -","- C29 H30 O3 Si -","- C116 H120 O12 Si4 -","4","1","","Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A.","Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2","Chemical Science","2013","4","4","1547","","10.1039/c3sc22002h","","","1.54178","CuKα","","0.0447","0.0381","","","0.0917","0.0955","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514454","8.8714","0.0005","11.147","0.0006","14.5317","0.0008","102.922","0.003","93.887","0.002","91.677","0.002","1395.96","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Gd N4 O10 -","- C18 H28 Cl3 Gd N4 O10 -","- C36 H56 Cl6 Gd2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0271","0.0232","","","0.0499","0.0516","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514455","13.0075","0.0006","14.8207","0.0007","13.9166","0.0006","90","","102.653","0.002","90","","2617.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Er N7 O14 -","- C19 H24 Er N7 O14 -","- C76 H96 Er4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0745","0.0419","","","0.0745","0.0848","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514456","7.4349","0.0015","10.63","0.002","11.657","0.002","68.02","0.03","88.31","0.03","87.44","0.03","853.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N5 O12 Y -","- C9 H12 N5 O12 Y -","- C18 H24 N10 O24 Y2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.1025","0.088","","","0.1492","0.1541","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514457","8.849","0.0018","11.157","0.002","14.564","0.003","103.13","0.03","93.56","0.03","91.72","0.03","1396.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 N4 O10 Tb -","- C18 H28 Cl3 N4 O10 Tb -","- C36 H56 Cl6 N8 O20 Tb2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7109","synchrotron","","0.0567","0.0542","","","0.1355","0.1473","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514458","8.846","0.0018","11.148","0.002","14.527","0.003","102.85","0.03","93.52","0.03","91.86","0.03","1392.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Dy N4 O10 -","- C18 H28 Cl3 Dy N4 O10 -","- C36 H56 Cl6 Dy2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7107","synchrotron","","0.0344","0.033","","","0.0817","0.0847","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514459","8.87","0.0018","11.12","0.002","14.439","0.003","102.36","0.03","93.95","0.03","91.96","0.03","1386.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Ho N4 O10 -","- C18 H32 Cl3 Ho N4 O10 -","- C36 H64 Cl6 Ho2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71086","synchrotron","","0.0296","0.0277","","","0.072","0.0735","","","","","","1.061","","","","has coordinates","191026","2020-10-21","18:00:00",""
"1514460","8.8067","0.0005","11.1745","0.0007","14.5412","0.0009","103.075","0.002","93.297","0.002","91.942","0.002","1389.98","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Er N4 O10 -","- C18 H28 Cl3 Er N4 O10 -","- C36 H56 Cl6 Er2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0317","0.0259","","","0.0519","0.0541","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514461","8.819","0.0018","11.149","0.002","14.491","0.003","102.91","0.03","93.47","0.03","91.88","0.03","1384.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 N4 O10 Y -","- C18 H28 Cl3 N4 O10 Y -","- C36 H56 Cl6 N8 O20 Y2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71086","synchrotron","","0.0313","0.0306","","","0.0819","0.0822","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514462","13.0909","0.0018","14.851","0.003","13.916","0.002","90","","102.875","0.004","90","","2637.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N7 O14 Tb -","- C19 H24 N7 O14 Tb -","- C76 H96 N28 O56 Tb4 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.1102","0.0855","","","0.1857","0.1998","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514463","13.09","0.003","14.792","0.003","13.965","0.003","90","","102.88","0.03","90","","2636","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Dy N7 O14 -","- C19 H24 Dy N7 O14 -","- C76 H96 Dy4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7107","synchrotron","","0.0545","0.045","","","0.1141","0.1195","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514464","13.0407","0.0009","14.8401","0.0009","13.9335","0.0009","90","","102.721","0.002","90","","2630.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Ho N7 O14 -","- C19 H24 Ho N7 O14 -","- C76 H96 Ho4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0859","0.0606","","","0.1224","0.1337","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514465","8.707","0.0002","13.3165","0.0002","13.7802","0.001","90","","100.665","0.007","90","","1570.17","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 Ni P2 -","- C10 H24 Br2 Ni P2 -","- C40 H96 Br8 Ni4 P8 -","4","1","","Bryan, Zachary J.; McNeil, Anne J.","Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations","Chemical Science","2013","4","4","1620","","10.1039/c3sc00090g","","","1.54178","CuKα","","0.0304","0.0297","","","0.0729","0.0734","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514466","14.4797","0.0014","11.9305","0.0011","13.1126","0.0013","90","","98.591","0.003","90","","2239.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Chlorido(hapto^6^-p-cymene)(N-{4-hydroxyphenyl}-2-pyridinecarbothioamide)osmium(II)] chloride","","- C22 H24 Cl2 N2 O Os S -","- C22 H24 Cl2 N2 O Os S -","- C88 H96 Cl8 N8 O4 Os4 S4 -","4","1","","Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G.","Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents","Chemical Science","2013","4","4","1837","","10.1039/c3sc22294b","","","0.71073","MoKα","","0.0425","0.0251","","","0.0485","0.0547","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514467","14.0346","0.0009","8.6278","0.0005","22.7026","0.0013","90","","90.353","0.003","90","","2749","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Chlorido(hapto^6^-p-cymene)(N-{4-fluorophenyl}-2-pyridinecarbothioamide)ruthenium(II)] chloride","","- C25 H29 Cl2 F N2 O Ru S -","- C25 H29 Cl2 F N2 O Ru S -","- C100 H116 Cl8 F4 N8 O4 Ru4 S4 -","4","1","","Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G.","Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents","Chemical Science","2013","4","4","1837","","10.1039/c3sc22294b","","","0.71073","MoKα","","0.1037","0.0469","","","0.1031","0.124","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514468","12.6611","0.0001","19.0777","0.0001","47.5848","0.0004","90","","90","","90","","11493.8","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H116 Br6 Co4 N11 O16 -","- C108 H116 Br6 Co4 N11 O16 -","- C432 H464 Br24 Co16 N44 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier","Chemical Science","2013","4","4","1802","","10.1039/c3sc21893g","","","0.71073","MoKα","","0.0681","0.045","","","0.1016","0.1078","","","","","","0.971","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514469","16.163","0.003","20.152","0.004","20.252","0.004","93.07","0.03","90.55","0.03","110.44","0.03","6169","2","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","1","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1296","0.0923","","","0.2546","0.2787","","","","","","0.973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514470","23.705","0.005","9.3657","0.0012","20.454","0.003","90","","118.68","0.009","90","","3983.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 B2 Fe N8 O6 -","- C42 H48 B2 Fe N8 O6 -","- C168 H192 B8 Fe4 N32 O24 -","4","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.0572","0.0406","","","0.0794","0.0865","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514471","10.235","0.005","10.862","0.004","16.008","0.006","97.163","0.018","98.93","0.02","93.02","0.02","1739.6","1.3","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H70 B4 Cl10 Fe2 N14 O12 -","- C56 H70 B4 Cl10 Fe2 N14 O12 -","- C56 H70 B4 Cl10 Fe2 N14 O12 -","1","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1076","0.0728","","","0.1814","0.2018","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514472","24.166","0.004","18.52","0.004","21.805","0.003","90","","105.6","0.018","90","","9399","3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H48 B2 Fe N8 O14 Zn2 -","- C56 H48 B2 Fe N8 O14 Zn2 -","- C224 H192 B8 Fe4 N32 O56 Zn8 -","4","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1093","0.0954","","","0.2456","0.2541","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514473","41.856","0.003","41.856","0.003","41.856","0.003","90","","90","","90","","73329","9","113","2","113","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C7 H5 Cu2 I N4 S -","- C7 H5 Cu2 I N4 S -","- C672 H480 Cu192 I96 N384 S96 -","96","1","","Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun","A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character","Chemical Science","2013","4","4","1484","","10.1039/c3sc21995j","","","0.71073","MoKα","","0.0962","0.0864","","","0.2627","0.2795","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514474","13.7664","0.001","9.367","0.0007","10.8858","0.0008","90","","99.268","0.003","90","","1385.4","0.18","150","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C60 H72 O24 -","4","0.5","","Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki","Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol","Chemical Science","2013","4","4","1615","","10.1039/c3sc00023k","","","0.7107","MoKα","","","0.0494","","","","0.184","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514475","9.1857","0.0014","10.7306","0.0016","17.807","0.003","90","","94.071","0.002","90","","1750.8","0.5","93","0.2","93","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O7 -","- C19 H32 O7 -","- C76 H128 O28 -","4","1","","Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki","Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol","Chemical Science","2013","4","4","1615","","10.1039/c3sc00023k","","","0.71073","MoKα","","0.0522","0.0394","","","0.0907","0.0967","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514476","11.462","","12.501","","13.164","","109.79","","108.38","","90.82","","1668.73","","373","2","373","2","","","","","","","","7","P -1","-P 1","2","AEK1052","","","- C31 H28 Cl0 Co F12 N6 P2 -","- C31 H28 Co F12 N6 P2 -","- C62 H56 Co2 F24 N12 P4 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0523","0.0399","","","0.0975","0.1069","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514477","10.9829","0.0008","13.7142","0.0009","17.0064","0.0013","102.458","0.005","107.971","0.005","101.25","0.005","2282.8","0.3","373","2","373","2","","","","","","","","5","P -1","-P 1","2","AEK1071_0m","","","- C53 H45 B Co N5 -","- C53 H45 B Co N5 -","- C106 H90 B2 Co2 N10 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","1.54178","CuKα","","0.0957","0.0625","","","0.1524","0.1685","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514478","11.94","0.0003","12.822","0.0003","15.328","0.0003","65.696","0.001","78.915","0.001","66.557","0.001","1960.99","0.08","373","2","373","2","","","","","","","","8","P -1","-P 1","2","AEK1145CoOAc","","","- C33 H28 Cl0 Co F6 N5 O8 S2 -","- C33 H28 Co F6 N5 O8 S2 -","- C66 H56 Co2 F12 N10 O16 S4 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0412","0.0362","","","0.0922","0.0946","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514479","17.791","","16.341","","27.415","","90","","97.47","","90","","7902.52","","373","2","373","2","","","","","","","","8","C 1 c 1","C -2yc","9","AEK1145Co","","","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C288 H260 B8 Co8 F80 N60 O48 S16 -","2","0.5","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0761","0.0692","","","0.188","0.1975","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514480","15.7015","0.0005","12.8679","0.0003","18.0196","0.0006","90","","105.064","0.001","90","","3515.66","0.18","113","1","113","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 B4 F16 N16 O4 -","- C55 H68 B4 F16 N16 O4 -","- C110 H136 B8 F32 N32 O8 -","2","0.5","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1138","0.105","","","0.2782","0.2881","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514481","19.726","0.009","15.697","0.006","22.564","0.009","90","","101.404","0.006","90","","6849","5","113","1","113","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 B F4 N16 O7 P2 -","- C54 H64 B F4 N16 O7 P2 -","- C216 H256 B4 F16 N64 O28 P8 -","4","1","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1617","0.0924","","","0.2326","0.2684","","","","","","0.946","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514482","20.554","0.006","16.552","0.005","31.568","0.01","90","","93.445","0.007","90","","10720","6","113","1","113","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C162 H200 B8 F32 N48 O16 P4 -","- C162 H200 B8 F32 N48 O16 P4 -","- C324 H400 B16 F64 N96 O32 P8 -","2","0.5","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1924","0.0981","","","0.2262","0.2681","","","","","","0.939","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514483","14.073","0.003","21.02","0.004","19.083","0.004","90","","90","","90","","5645","2","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Cl2iPr2Cu]2(u-S(CH2)3S)","","","- C57 H74 Cl4 Cu2 N4 S2 -","- C57 H74 Cl4 Cu2 N4 S2 -","- C228 H296 Cl16 Cu8 N16 S8 -","4","0.5","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.1098","0.0686","","","0.1225","0.1342","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514484","52.089","0.01","8.9421","0.0017","35.545","0.007","90","","129.297","0.002","90","","12813","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cl2iPr2Cu]2(u-S(CH2)4S)","","","- C58 H76 Cl4 Cu2 N4 S2 -","- C58 H76 Cl4 Cu2 N4 S2 -","- C464 H608 Cl32 Cu16 N32 S16 -","8","1","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.0921","0.0541","","","0.1155","0.1286","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514485","9.26","0.012","24.43","0.03","15.506","0.019","90","","100.133","0.017","90","","3453","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cl2iPrCu]SCH2CH2Ph","","","- C35 H43 Cl2 Cu N2 S -","- C35 H43 Cl2 Cu N2 S -","- C140 H172 Cl8 Cu4 N8 S4 -","4","1","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.1335","0.0726","","","0.1684","0.1908","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514486","18.9604","0.001","9.3522","0.0006","19.2687","0.0012","90","","90","","90","","3416.8","0.4","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxybenzyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol- 2-ium chloride deuterohydrate","","- C18 H18 Cl D2 N3 O2 -","- C18 H18 Cl D2 N3 O2 -","- C144 H144 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0391","0.0303","","","0.0731","0.0798","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514487","19.2697","0.0016","9.5129","0.0008","19.6896","0.0016","90","","90","","90","","3609.3","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-paramethylbenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C19 H20 Cl D2 N3 O2 -","- C19 H20 Cl D2 N3 O2 -","- C152 H160 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.1355","0.0475","","","0.0938","0.1198","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514488","18.8845","0.0008","9.4266","0.0004","19.2915","0.0009","90","","90","","90","","3434.2","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-parafluorobenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C18 H17 Cl D2 F N3 O2 -","- C18 H17 Cl D2 F N3 O2 -","- C144 H136 Cl8 D16 F8 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0439","0.0319","","","0.0773","0.0863","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514489","10.1903","0.0006","12.5783","0.0008","27.2498","0.0017","90","","96.4952","0.0008","90","","3470.4","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[ONOq]FeCl2","","- C35 H48 Cl2 Fe N O2 -","- C35 H48 Cl2 Fe N O2 -","- C140 H192 Cl8 Fe4 N4 O8 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0539","0.0341","","","0.073","0.0802","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514490","11.9269","0.0007","17.5744","0.001","24.1583","0.0013","90","","111.583","0.0006","90","","4708.7","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[ONOq]Fe[N(SiMe3)2]2","","- C40 H76 Fe N3 O2 Si4 -","- C40 H76 Fe N3 O2 Si4 -","- C160 H304 Fe4 N12 O8 Si16 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.036","0.0297","","","0.0705","0.0737","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514491","14.8709","0.0008","15.747","0.0008","17.9214","0.001","94.0663","0.0007","111.428","0.0007","95.5142","0.0007","3863","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","{[ONO]Fe(ortho-C6O2Cl4)}2","","- C75.5 H98 Cl8 Fe2 N2 O8 -","- C75.5 H98 Cl8 Fe2 N2 O8 -","- C151 H196 Cl16 Fe4 N4 O16 -","2","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0676","0.0401","","","0.0899","0.0999","","","","","","1.019","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514492","12.6068","0.0011","24.431","0.002","16.6177","0.0014","90","","111.803","0.0009","90","","4752.1","0.7","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[ONOq]Fe(ortho-C6O2Cl4)(py)","","- C43 H55 Cl4 Fe N2 O5 -","- C43 H55 Cl4 Fe N2 O5 -","- C172 H220 Cl16 Fe4 N8 O20 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0916","0.061","","","0.1486","0.1709","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514493","14.1943","0.001","14.2798","0.001","17.1104","0.0013","90","","113.995","0.0009","90","","3168.4","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[ONOcat]Fe(py)3","","- C66 H90 Fe2 N4 O4 -","- C66 H90 Fe2 N4 O4 -","- C132 H180 Fe4 N8 O8 -","2","0.5","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0595","0.0413","","","0.1024","0.1125","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514494","14.0101","0.0006","15.7187","0.0007","19.934","0.0008","90","","97.6912","0.0005","90","","4350.4","0.3","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","{[ONOcat]Fe(py)}2","","- C45 H58 Fe N5 O2 -","- C45 H58 Fe N5 O2 -","- C180 H232 Fe4 N20 O8 -","4","2","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0426","0.0354","","","0.0841","0.0877","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514495","11.4287","0.0018","11.7031","0.0018","12.918","0.002","64.005","0.003","89.783","0.003","71.129","0.003","1450.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Cu3 N8 O0 -","- C26 H27 Cu3 N8 -","- C52 H54 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.088","0.0641","","","0.1575","0.1868","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514496","11.4262","0.0005","11.4509","0.0005","12.5243","0.0007","66.62","0.005","89.182","0.004","69.908","0.004","1398.37","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cu3 N8 O0 -","- C20 H21 Cu3 N8 -","- C40 H42 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","1.54184","CuKα","","0.0793","0.0621","","","0.194","0.217","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514497","11.4964","0.0006","11.3571","0.0006","12.9352","0.0007","115.386","0.005","91.133","0.004","69.305","0.005","1409.92","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu3 N8 O2 -","- C22 H26 Cu3 N8 O2 -","- C44 H52 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0483","0.0352","","","0.1096","0.1258","","","","","","0.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514498","11.5152","0.0003","11.312","0.0004","12.6953","0.0004","114.171","0.003","91.497","0.003","68.347","0.003","1386.93","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu3 N8 O2 -","- C22 H26 Cu3 N8 O2 -","- C44 H52 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.042","0.0371","","","0.1306","0.1364","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514499","11.4723","0.0007","11.4569","0.0007","13.1199","0.0008","64.295","0.006","89.824","0.005","110.147","0.006","1434.83","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cu3 N8 O2 -","- C24 H29 Cu3 N8 O2 -","- C48 H58 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0501","0.0372","","","0.103","0.1144","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514500","11.4507","0.0006","11.6026","0.0005","13.2025","0.0007","65.36","0.005","71.368","0.005","71.461","0.004","1475.62","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 Cu3 N8 -","- C26 H33 Cu3 N8 -","- C52 H66 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0787","0.0464","","","0.1083","0.1263","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514501","11.37","0.0004","11.4274","0.0005","12.1912","0.0006","67.952","0.004","87.743","0.003","69.803","0.003","1370.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cu3 N9 O -","- C22 H24 Cu3 N9 O -","- C44 H48 Cu6 N18 O2 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0689","0.057","","","0.189","0.2077","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514505","19.437","0.0002","19.437","0.0002","18.1371","0.0002","90","","90","","120","","5934.13","0.11","173","","173","","","","","","","","","7","P 63","P 6c","173","","","","- C42 H44 F6 Ir N2 O2 P2 -","- C42 H44 F6 Ir N2 O2 P2 -","- C252 H264 F36 Ir6 N12 O12 P12 -","6","1","","Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas","Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines","Chemical Science","2013","4","7","2760","","10.1039/c3sc50587a","","","0.71073","MoKα","","0.0497","0.0216","","0.0234","0.0196","0.0196","","","","","","0.7012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514506","8.6182","0.0001","12.4254","0.0001","20.8694","0.0002","90","","90","","90","","2234.79","0.04","150","","150","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br N2 O2 S -","- C26 H19 Br N2 O2 S -","- C104 H76 Br4 N8 O8 S4 -","4","1","","Li, Meiling; Woods, Philip A.; Smith, Martin D.","Cation-directed enantioselective synthesis of quaternary-substituted indolenines","Chemical Science","2013","4","7","2907","","10.1039/c3sc50592h","","","0.71073","MoKα","","0.0522","0.0419","","0.0804","0.0752","0.0804","","","","","","0.9781","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514507","12.6892","0.0003","9.9361","0.0003","16.3936","0.0004","90","","102.515","0.0017","90","","2017.81","0.09","150","","150","","","","","","","","syn","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 -","- C27 H19 N3 -","- C108 H76 N12 -","4","1","","Li, Meiling; Woods, Philip A.; Smith, Martin D.","Cation-directed enantioselective synthesis of quaternary-substituted indolenines","Chemical Science","2013","4","7","2907","","10.1039/c3sc50592h","","","0.71073","MoKα","","0.0687","0.0502","","0.138","0.1216","0.138","","","","","","0.9481","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514508","11.049","0.003","13.43","0.004","18.364","0.005","105.567","0.004","91.091","0.004","106.254","0.004","2507","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H2 Cl16 -","- C72 H2 Cl16 -","- C144 H4 Cl32 -","2","1","","Tan, Yuan-Zhi; Li, Jia; Du, Ming-Yue; Lin, Shui-Chao; Xie, Su-Yuan; Lu, Xin; Huang, Rong-Bin; Zheng, Lan-Sun","Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography","Chemical Science","2013","4","7","2967","","10.1039/c3sc50141h","","","0.71073","MoKα","","0.1057","0.0867","","","0.2162","0.2342","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514509","27.658","0.01","39.485","0.013","42.581","0.015","90","","106.741","0.005","90","","44531","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C368 H360 B16 Co8 F64 N72 O40 -","- C368 H344 B12 Co8 F48 N72 O40 -","- C1472 H1376 B48 Co32 F192 N288 O160 -","4","0.5","","Whitehead, Martina; Turega, Simon; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts","Chemical Science","2013","4","7","2744","","10.1039/c3sc50546d","","","0.71073","MoKα","","0.2161","0.1761","","","0.4464","0.477","","","","","","1.645","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514511","11.3881","0.001","13.7611","0.0013","15.9461","0.0016","90","","90","","90","","2499","0.4","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl","Withanolide A: synthesis and structural requirements for neurite outgrowth","Chemical Science","2013","4","7","2851","","10.1039/c3sc50653c","","","0.71073","MoKα","","0.0593","0.0394","","0.0673","0.0419","0.0405","","","","","","1.1096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514519","23.3192","0.0017","28.2","0.002","30.215","0.002","90","","90","","90","","19869","2","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C62 H135 Mn Mo6 N6 O26 -","- C53.8 H111.4 Mn Mo6 N5.5 O25.3 -","- C430.4 H891.2 Mn8 Mo48 N44 O202.4 -","8","1","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1506","0.0913","","","0.2965","0.3334","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514520","18.0136","0.0006","26.3164","0.0009","26.5199","0.0009","113.089","0.002","102.13","0.002","100.729","0.002","10790.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Mn Mo6 N9 O26 -","- C92.85 H141.25 Mn Mo6 N9 O26 -","- C371.4 H565 Mn4 Mo24 N36 O104 -","4","2","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.0646","0.0415","","","0.0998","0.117","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514521","27.455","0.003","29.007","0.003","24.974","0.002","90","","94.45","0.005","90","","19829","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H153 Mn Mo6 N8 O28 -","- C73.45 H126.3 Mn Mo6 N6.55 O26.65 -","- C587.6 H1010.4 Mn8 Mo48 N52.4 O213.2 -","8","2","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.0924","0.0802","","","0.1796","0.1843","","","","","","1.17","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514522","28.257","0.002","21.8128","0.0016","16.5796","0.0014","90","","90","","90","","10219.1","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C80 H155 Mn Mo6 N8 O29 -","- C58 H61.6 Mn Mo6 N5.9 O25.6 -","- C232 H246.4 Mn4 Mo24 N23.6 O102.4 -","4","0.5","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1193","0.0823","","","0.2554","0.2777","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514523","8.3357","0.0013","11.294","0.002","9.9646","0.0017","90","","103.551","0.008","90","","912","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C38 H50 N2 O8 -","2","1","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0494","0.0467","","","0.1226","0.1261","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514524","7.3372","0.0007","22.647","0.003","20.618","0.002","90","","90.112","0.006","90","","3426","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0517","0.0452","","","0.1139","0.1191","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514525","9.0939","0.0016","30.695","0.005","9.139","0.0016","90","","94.405","0.005","90","","2543.5","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0294","0.0294","","","0.0759","0.0759","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514526","9.7614","0.001","10.2988","0.001","10.4722","0.0011","80.745","0.008","71.023","0.009","89.009","0.008","981.91","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl3 N2 O3 -","- C17 H17 Cl3 N2 O3 -","- C34 H34 Cl6 N4 O6 -","2","1","","Cui, Sunliang; Zhang, Yan; Wang, Dahai; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/[4 + 3] cycloaddition of benzamides and vinylcarbenoids: facile synthesis of azepinones","Chemical Science","2013","4","10","3912","","10.1039/c3sc51777b","","","0.71073","MoKα","","0.1546","0.1187","","","0.3593","0.4023","","","","","","1.494","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514527","11.8239","0.0004","14.7954","0.0005","15.4075","0.0005","99.322","0.001","110.839","0.001","91.577","0.001","2475.17","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H61 B11 Br6 F P Ru Si -","- C35 H61 B11 Br6 F P Ru Si -","- C70 H122 B22 Br12 F2 P2 Ru2 Si2 -","2","1","","Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don","Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation","Chemical Science","2013","4","10","3882","","10.1039/c3sc51585k","","","0.71073","MoKα","","0.0477","0.0471","","","0.1333","0.1338","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514528","9.8107","0.0003","12.2952","0.0003","13.4212","0.0004","93.235","0.001","91.814","0.001","91.35","0.001","1615.01","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy2py)OTf)OTf*0.75CH3CN","","","- C30.5 H23.25 Co F6 N5.75 O6 S2 -","- C30.5 H23.25 Co F6 N5.75 O6 S2 -","- C61 H46.5 Co2 F12 N11.5 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0445","0.0361","","","0.0925","0.099","","","","","","1.073","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514529","11.605","0.003","26.456","0.006","12.584","0.003","90","","114.443","0.003","90","","3517.3","1.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(bpy2py)(CH3CN)]*1.5PF6*0.5BF4*Et2O","","","- C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 -","- C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 -","- C132 H122 B2 F44 N28 Ni4 O2 P6 -","4","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.055","0.0515","","","0.1394","0.1423","","","","","","1.052","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514530","9.9247","0.0006","13.1783","0.0008","14.849","0.0009","66.577","0.002","80.638","0.002","81.873","0.002","1752.01","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(bpy2py))2OTf*2CH3CN","","","- C33 H27 Cu F6 N7 O6 S2 -","- C33 H27 Cu F6 N7 O6 S2 -","- C66 H54 Cu2 F12 N14 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0348","0.0317","","","0.0838","0.0858","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514531","9.829","0.0003","12.2969","0.0003","13.4196","0.0004","92.874","0.001","91.805","0.001","91.232","0.001","1618.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Zn(bpy2py)OTf)OTf*CH3CN","","","- C31 H24 F6 N6 O6 S2 Zn -","- C31 H24 F6 N6 O6 S2 Zn -","- C62 H48 F12 N12 O12 S4 Zn2 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0303","0.0284","","","0.0786","0.0798","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514532","10.1178","0.0002","10.1848","0.0002","18.5692","0.0004","93.06","0.001","101.838","0.001","106.548","0.001","1782.45","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy2pyCF3)OTf)OTf*5CH3CN","","","- C32 H23 Co F9 N6 O6 S2 -","- C32 H23 Co F9 N6 O6 S2 -","- C64 H46 Co2 F18 N12 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0397","0.0332","","","0.0783","0.0817","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514533","6.939","0.004","18.9","0.009","19.529","0.011","90","","90","","90","","2561","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br2 N O6 -","- C27 H23 Br2 N O6 -","- C108 H92 Br8 N4 O24 -","4","1","","Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier","Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates","Chemical Science","2013","4","10","3857","","10.1039/c3sc51658j","","","0.71073","MoKα","","0.2205","0.0951","","","0.1869","0.2325","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514534","9.8524","0.0004","15.9675","0.0005","10.5673","0.0003","90","","92.813","0.002","90","","1660.43","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C64 H100 N4 O24 -","4","1","","Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier","Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates","Chemical Science","2013","4","10","3857","","10.1039/c3sc51658j","","","0.71073","MoKα","","0.0351","0.0316","","","0.0733","0.0759","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514535","10.4149","0.0008","13.7246","0.0011","24.603","0.0019","90","","90","","90","","3516.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H60 O6 -","- C37 H59.6 O6 -","- C148 H238.4 O24 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0769","0.0516","","","0.1289","0.1432","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514536","8.7254","0.0017","9.5176","0.0019","12.415","0.003","89.65","0.03","80.46","0.03","70.65","0.03","958","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C38 H62 O9 -","- C38 H62 O9 -","- C38 H62 O9 -","1","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0486","0.048","","","0.1401","0.1413","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514537","9.3808","0.0007","13.5353","0.0011","32.994","0.003","90","","90","","90","","4189.3","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H71 Cl O5 Si -","- C41 H71 Cl O5 Si -","- C164 H284 Cl4 O20 Si4 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0465","0.0375","","","0.0899","0.0942","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514538","11.2356","0.0002","11.9742","0.0003","24.8296","0.0006","90","","93.447","0.001","90","","3334.46","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H57 Cl O5 -","- C34.5 H57 Cl O5 -","- C138 H228 Cl4 O20 -","4","2","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0514","0.0503","","","0.1435","0.1446","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514539","10.911","0.002","12.339","0.002","15.869","0.005","103.994","0.004","97.621","0.004","107.921","0.003","1922.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H57 N5 Ni -","- C43 H57 N5 Ni -","- C86 H114 N10 Ni2 -","2","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0637","0.0455","","","0.0956","0.1006","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514540","13.207","0.001","17.694","0.0014","21.9242","0.0017","90","","90","","90","","5123.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H77 N5 Ni -","- C56 H77 N5 Ni -","- C224 H308 N20 Ni4 -","4","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0479","0.0428","","","0.0963","0.0984","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514541","14.779","0.002","15.5","0.002","16.733","0.003","92.788","0.004","98.247","0.003","100.522","0.004","3718.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H136 B2 F40 N10 Ni2 -","- C146 H136 B2 F40 N10 Ni2 -","- C146 H136 B2 F40 N10 Ni2 -","1","0.5","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.1879","0.0879","","","0.2298","0.2498","","","","","","1.001","","","","has coordinates","288253","2023-12-12","14:36:06",""
"1514542","17.8294","0.0019","42.047","0.005","17.6823","0.0019","90","","90","","90","","13256","3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H44 N4 Ni -","- C27 H44 N4 Ni -","- C432 H704 N64 Ni16 -","16","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0658","0.0632","","","0.1719","0.1748","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514543","12.174","0.0013","26.324","0.003","31.697","0.003","112.359","0.002","99.666","0.002","92.719","0.002","9191.6","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H49 N7 Ni -","- C31 H49 N7 Ni -","- C310 H490 N70 Ni10 -","10","5","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.2227","0.0696","","","0.1501","0.2188","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514544","7.8057","0.0005","10.1854","0.0007","23.4262","0.0017","90","","90","","90","","1862.5","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 O4 -","- C19 H20 Cl2 O4 -","- C76 H80 Cl8 O16 -","4","1","","Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J.","Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones","Chemical Science","2013","4","10","3946","","10.1039/c3sc51616d","","","0.71073","MoKα","","0.0601","0.0541","","","0.1496","0.154","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514549","9.1886","0.0007","10.6165","0.0007","11.5601","0.0009","81.563","0.006","81.84","0.006","72.521","0.007","1058.25","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O3 Pd -","- C24 H20 N4 O3 Pd -","- C48 H40 N8 O6 Pd2 -","2","1","","Chen, Kai; Hu, Fang; Zhang, Shuo-Qing; Shi, Bing-Feng","Pd(ii)-catalyzed alkylation of unactivated C(sp3)‒H bonds: efficient synthesis of optically active unnatural α-amino acids","Chemical Science","2013","4","10","3906","","10.1039/c3sc51747k","","","0.71073","MoKα","","0.0668","0.0513","","","0.1025","0.1085","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514550","9.4188","0.0002","9.7589","0.0001","15.1515","0.0003","96.812","0.001","97.849","0.001","109.187","0.001","1282.95","0.04","150","2","150","2","","","","","","","synthesis as described","3","P 1","P 1","1","RajanBabu 1916","","","- C27 H32 O11 -","- C27 H32 O11 -","- C54 H64 O22 -","2","2","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.08","0.0849","","","","","","1.032","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1514551","11.9576","0.0001","12.6539","0.0001","16.2477","0.0001","96.233","0.001","98.572","0.001","100.371","0.001","2367.98","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","RajanBabu 1872","","","- C45 H63 B O10 Si Sn -","- C45 H63 B O10 Si Sn -","- C90 H126 B2 O20 Si2 Sn2 -","2","1","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0553","0.0397","","","0.1017","0.1099","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514552","10.7843","0.0001","14.0454","0.0002","19.3783","0.0002","90","","90","","90","","2935.23","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1913","","","- C29 H40 O9 Si -","- C29 H40 O9 Si -","- C116 H160 O36 Si4 -","4","1","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0457","0.0345","","","0.0751","0.0801","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514553","28.3106","0.0008","21.7915","0.0007","22.8536","0.0007","90","","126.572","0.001","90","","11323.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H206 B2 Fe2 O P6 -","- C118 H206 B2 Fe2 O P6 -","- C472 H824 B8 Fe8 O4 P24 -","4","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1524","0.1005","","","0.1613","0.1666","","","","","","1.997","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514554","22.7338","0.0016","15.5757","0.0011","17.6503","0.0013","90","","110.288","0.001","90","","5862.1","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C124 H208 B2 Cl4 Fe2 N2 O2 P6 -","- C124 H208 B2 Cl4 Fe2 N2 O2 P6 -","- C248 H416 B4 Cl8 Fe4 N4 O4 P12 -","2","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1743","0.1009","","","0.1747","0.1813","","","","","","2.946","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514555","14.199","0.004","14.985","0.005","14.939","0.005","90","","103.184","0.005","90","","3094.8","1.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H106 B2 Fe2 O P6 -","- C54 H106 B2 Fe2 O P6 -","- C108 H212 B4 Fe4 O2 P12 -","2","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1702","0.0933","","","0.1635","0.1769","","","","","","1.533","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514556","33.2834","0.0006","33.2834","0.0006","16.7509","0.0006","90","","90","","90","","18556.4","0.8","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C102 H94 B2 Fe2 O P6 -","- C102 H94 B2 Fe2 O P6 -","- C816 H752 B16 Fe16 O8 P48 -","8","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.0596","0.0554","","","0.1516","0.1557","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514557","13.1184","0.0019","13.1184","0.0019","31.059","0.006","90","","90","","120","","4628.9","1.3","77","","77","2","","","","","","","","7","P 31","P 31","144","","","","- C67 H81 B Fe Na O7 P3 -","- C67 H81 B Fe Na O7 P3 -","- C201 H243 B3 Fe3 Na3 O21 P9 -","3","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.0524","0.0465","","","0.1123","0.116","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514558","13.7605","0.0004","16.3419","0.0004","22.5111","0.0006","96.665","0.001","106.719","0.001","103.489","0.001","4622.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H82 B2 Fe2 O3 P6 -","- C91 H82 B2 Fe2 O3 P6 -","- C182 H164 B4 Fe4 O6 P12 -","2","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","1.54178","CuKα","","0.0787","0.054","","","0.1166","0.1222","","","","","","0.865","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1514559","12.5307","0.0003","18.2485","0.0004","19.5913","0.0004","91.056","0.001","93.582","0.001","109.527","0.001","4210.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 O4 W -","- C48 H62 O4 W -","- C192 H248 O16 W4 -","4","2","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.0576","0.0377","","","0.0748","0.0828","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514560","9.4199","0.0004","12.183","0.0005","17.6797","0.0007","93.621","0.002","100.409","0.002","102.237","0.002","1939.34","0.14","99","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H56 O3.5 W -","- C45 H56 O3.5 W -","- C90 H112 O7 W2 -","2","1","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.0302","0.0262","","","0.0639","0.0655","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514561","9.6683","0.0005","40.736","0.002","21.0306","0.0013","90","","97.047","0.001","90","","8220.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 O2.5 W -","- C50 H55 O2.5 W -","- C400 H440 O20 W8 -","8","2","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.07","0.0361","","","0.0577","0.0694","","","","","","0.956","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514562","11.1564","0.0002","16.8638","0.0004","17.2397","0.0004","94.315","0.0014","93.4125","0.0018","108.645","0.0012","3052.51","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.11 H51.07 Cl4.87 N8 O4.24 Zn2 -","- C70.11 H51.07 Cl4.89 N8 O4.24 Zn2 -","- C140.22 H102.14 Cl9.78 N16 O8.48 Zn4 -","2","1","","Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya","Two double helical modes of bidipyrrin‒ZnII complexes","Chemical Science","2013","4","3","1204","","10.1039/c2sc21913a","","","1.54187","CuKa","","0.1734","0.1033","","","0.252","0.3404","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514563","12.324","0.005","8.833","0.003","25.104","0.011","90","","94.105","0.014","90","","2725.8","1.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br2 N4 Ni -","- C32 H24 Br2 N4 Ni -","- C128 H96 Br8 N16 Ni4 -","4","1","","Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya","Two double helical modes of bidipyrrin‒ZnII complexes","Chemical Science","2013","4","3","1204","","10.1039/c2sc21913a","","","0.71075","MoKα","","0.0665","0.0431","","","0.1155","0.1303","","","","","","0.873","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514564","12.4834","0.0001","18.5861","0.0002","20.5491","0.0003","90","","117.547","0.001","90","","4227.24","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Eu F18 N4 O7 -","- C34 H25 Eu F18 N4 O7 -","- C136 H100 Eu4 F72 N16 O28 -","4","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","0.71073","MoKα","","0.0504","0.0412","","","0.1059","0.115","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514565","21.9162","0.0008","18.3619","0.0008","24.8681","0.0009","90","","122.872","0.002","90","","8405.1","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H50 Eu2 F36 N8 O14 -","- C69 H50 Eu2 F36 N8 O14 -","- C276 H200 Eu8 F144 N32 O56 -","4","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","0.71073","MoKα","","0.0863","0.064","","","0.1592","0.1708","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514566","17.6614","0.0004","19.7308","0.0004","23.4654","0.0005","95.2886","0.0019","96.678","0.0019","114.691","0.002","7288.8","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H90.5 Eu3 F54 N18.5 O20 -","- C119 H90.5 Eu3 F54 N18.5 O20 -","- C238 H181 Eu6 F108 N37 O40 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0715","0.0567","","","0.1455","0.1585","","","","","","1.046","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514567","12.2354","0.0002","14.4044","0.0002","14.8029","0.0003","77.3039","0.0016","72.1925","0.0019","68.6551","0.0017","2296.17","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 F18 Lu N6 O7 -","- C38 H31 F18 Lu N6 O7 -","- C76 H62 F36 Lu2 N12 O14 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0277","0.0264","","","0.0693","0.0704","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514568","11.6721","0.0002","15.7298","0.0004","22.3967","0.0005","78.307","0.002","87.1599","0.0017","87.3088","0.0018","4018.88","0.16","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 F30 La2 N10 O14 -","- C66 H54 F30 La2 N10 O14 -","- C132 H108 F60 La4 N20 O28 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0554","0.0522","","","0.14","0.1449","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514569","18.485","0.012","5.944","0.003","18.057","0.012","90","","92.841","0.013","90","","1982","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian","A visible-light-promoted aerobic C‒H/C‒N cleavage cascade to isoxazolidine skeletons","Chemical Science","2013","4","3","1281","","10.1039/c2sc22131d","","","0.71073","MoKα","","0.1235","0.0684","","","0.1592","0.1862","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514570","31.601","0.004","31.601","0.004","10.671","0.003","90","","90","","90","","10656","4","120","1","120","1","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C47 H53 La O2 P3 Se6 -","- C44 H30 La O2 P3 Se6 -","- C352 H240 La8 O16 P24 Se48 -","8","0.5","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.093","0.0831","","","0.184","0.1857","","","","","","2.384","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514571","9.8457","0.0013","13.0684","0.0017","19.024","0.002","88.6","0.001","85.615","0.001","70.493","0.001","2300.5","0.5","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Ce O2 P3 Se6 -","- C44 H46 Ce O2 P3 Se6 -","- C88 H92 Ce2 O4 P6 Se12 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0474","0.0323","","","0.0685","0.0739","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514572","31.4695","0.0018","31.4695","0.0018","10.6442","0.0012","90","","90","","90","","10541.3","1.5","120","1","120","1","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C47 H53 Nd O2 P3 Se6 -","- C44 H46 Nd O2 P3 Se6 -","- C352 H368 Nd8 O16 P24 Se48 -","8","0.5","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0521","0.0381","","","0.0732","0.076","","","","","","1.346","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514573","13.5653","0.001","9.0111","0.0007","35.576","0.003","90","","91.945","0.001","90","","4346.2","0.6","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 La N2 P3 Se6 -","- C40 H36 La N2 P3 Se6 -","- C160 H144 La4 N8 P12 Se24 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0617","0.039","","","0.0817","0.0903","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514574","13.344","0.004","18.862","0.005","20.428","0.005","79.465","0.004","89.356","0.004","70.12","0.003","4746","2","141","2","141","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 N0 O2 P3 Pu Se6 -","- C44 H46 O2 P3 Pu Se6 -","- C176 H184 O8 P12 Pu4 Se24 -","4","2","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.1355","0.0703","","","0.1556","0.1816","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514575","12.6878","0.0005","21.9927","0.0009","22.9089","0.001","90","","90","","90","","6392.5","0.5","120","1","120","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 Ce N O P4 Se8 -","- C60 H68 Ce N O P4 Se8 -","- C240 H272 Ce4 N4 O4 P16 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0341","0.0269","","","0.0461","0.0479","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514576","12.7053","0.0012","21.997","0.002","22.902","0.002","90","","90","","90","","6400.6","1","141","2","141","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 N O P4 Pu Se8 -","- C60 H68 N O P4 Pu Se8 -","- C240 H272 N4 O4 P16 Pu4 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0338","0.0261","","","0.0448","0.0464","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514577","13.8131","0.0006","9.7933","0.0005","18.8547","0.0009","90","","91.597","0.001","90","","2549.6","0.2","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 P4 Se8 U -","- C48 H40 P4 Se8 U -","- C96 H80 P8 Se16 U2 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0276","0.0226","","","0.0463","0.0474","","","","","","0.659","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514578","13.8899","0.0019","9.9688","0.0014","18.862","0.003","90","","91.609","0.002","90","","2610.7","0.7","141","2","141","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 Np P4 Se8 -","- C48 H40 Np P4 Se8 -","- C96 H80 Np2 P8 Se16 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.077","0.0414","","","0.0622","0.0704","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514579","25.5236","0.0014","13.7422","0.0008","14.3634","0.0008","90","","90","","90","","5038","0.5","100.15","","100.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C54 H78 Cl Ir N2 O2 -","- C54 H78 Cl Ir N2 O2 -","- C216 H312 Cl4 Ir4 N8 O8 -","4","1","","Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang","Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid","Chemical Science","2013","4","3","1234","","10.1039/c2sc21923a","","","0.71073","MoKα","","0.0429","0.0395","","","0.0838","0.086","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514580","10.499","0.0005","10.5404","0.0005","11.0455","0.0006","63.986","0.001","85.787","0.001","69.884","0.001","1027.14","0.09","100.15","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl3 N2 Rh -","- C20 H26 Cl3 N2 Rh -","- C40 H52 Cl6 N4 Rh2 -","2","1","","Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang","Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid","Chemical Science","2013","4","3","1234","","10.1039/c2sc21923a","","","0.71073","MoKα","","0.0267","0.0241","","","0.053","0.0549","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514581","9.552","0.005","10.569","0.006","13.458","0.007","71.185","0.011","76.497","0.011","77.422","0.011","1235.4","1.2","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1279","0.0524","","","0.1175","0.1617","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514582","11.118","0.003","16.129","0.005","26.837","0.008","90","","90","","90","","4812","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C224 H224 N16 O32 -","8","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1417","0.0911","","","0.1854","0.2129","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514583","6.8101","0.0003","9.5015","0.0004","21.2601","0.0005","90","","90","","90","","1375.66","0.09","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H18 Ca N O8 P -","- C7 H18 Ca N O8 P -","- C28 H72 Ca4 N4 O32 P4 -","4","1","","Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan","From metal‒organic framework (MOF) to MOF‒polymer composite membrane: enhancement of low-humidity proton conductivity","Chemical Science","2013","4","3","983","","10.1039/c2sc21927a","","","0.71073","MoKα","","0.072","0.0576","","","0.105","0.1072","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514584","12.5384","0.001","13.4689","0.0011","19.1735","0.0015","90","","93.373","0.001","90","","3232.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IPrAuNiPr2","","","- C33 H50 Au N3 -","- C33 H50 Au N3 -","- C132 H200 Au4 N12 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0329","0.0297","","","0.0891","0.0937","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514585","12.0547","0.0006","14.2387","0.0007","20.0505","0.0011","90","","90","","90","","3441.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((IPr)AuNHiPr2)(BF4)","","","- C33 H51 Au B F4 N3 -","- C33 H51 Au B F4 N3 -","- C132 H204 Au4 B4 F16 N12 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0122","0.0118","","","0.0285","0.0286","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514586","12.5675","0.0007","19.0611","0.001","14.9662","0.0008","90","","108.971","0.001","90","","3390.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(IPr)AuNHPh*THF","","","- C37 H50 Au N3 O -","- C37 H50 Au N3 O -","- C148 H200 Au4 N12 O4 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0184","0.0161","","","0.0373","0.039","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514587","10.8111","0.0008","20.7615","0.0016","16.2556","0.0012","90","","103.247","0.003","90","","3551.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","npm038","npm038","","- C36 H53 Au N4 -","- C36 H53 Au N4 -","- C144 H212 Au4 N16 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0875","0.0618","","","0.1588","0.1742","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514588","14.8187","0.0006","19.5498","0.0008","28.0267","0.0011","90","","90","","90","","8119.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","IPrAuPMes2","","","- C45 H58 Au N2 P -","- C45 H58 Au N2 P -","- C360 H464 Au8 N16 P8 -","8","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0704","0.0402","","","0.0793","0.0922","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514589","11.8034","0.0006","8.9229","0.0004","50.327","0.003","90","","92.992","0.001","90","","5293.2","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","npm041","npm041","","- C45 H59 Au B F4 N2 P -","- C45 H59 Au B F4.01 N2 P -","- C180 H236 Au4 B4 F16.04 N8 P4 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0556","0.0536","","","0.1179","0.119","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514590","11.9915","0.0006","12.2396","0.0006","16.7165","0.0009","96.555","0.001","108.386","0.001","105.096","0.001","2195.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","npm023","npm023","","- C37 H59 Au B Cl4 F4 N2 P -","- C37 H59 Au B Cl4 F4 N2 P -","- C74 H118 Au2 B2 Cl8 F8 N4 P2 -","2","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0683","0.065","","","0.1449","0.1471","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514597","12.572","0.0007","9.3235","0.0005","15.1484","0.0006","90","","90.258","0.004","90","","1775.6","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 I N4 O4 -","- C15 H19 I N4 O4 -","- C60 H76 I4 N16 O16 -","4","1","","Wang, Minyan; Fu, Chunling; Ma, Shengming","Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides","Chemical Science","2013","4","3","1016","","10.1039/c2sc21920d","","","0.71073","MoKα","","0.0482","0.0336","","","0.0752","0.0829","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514598","7.1296","0.001","7.4865","0.001","17.896","0.003","87.393","0.002","84.501","0.002","71.105","0.002","899.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 I N4 O4 -","- C17 H15 I N4 O4 -","- C34 H30 I2 N8 O8 -","2","1","","Wang, Minyan; Fu, Chunling; Ma, Shengming","Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides","Chemical Science","2013","4","3","1016","","10.1039/c2sc21920d","","","0.71073","MoKα","","0.0355","0.031","","","0.077","0.0799","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514599","10.3467","0.0012","11.3394","0.0013","23.95","0.003","90","","92.079","0.001","90","","2808.1","0.6","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl2 F4 Ir N2 O -","- C31 H22 Cl2 F4 Ir N2 O -","- C124 H88 Cl8 F16 Ir4 N8 O4 -","4","1","","Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G.","Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities","Chemical Science","2013","4","3","1175","","10.1039/c2sc21831c","","","0.71073","MoKα","","0.0199","0.0183","","","0.0414","0.042","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514600","9.7368","0.0006","16.1179","0.001","15.8357","0.001","90","","91.275","0.001","90","","2484.6","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 F4 Ir N2 O -","- C30 H19 F4 Ir N2 O -","- C120 H76 F16 Ir4 N8 O4 -","4","1","","Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G.","Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities","Chemical Science","2013","4","3","1175","","10.1039/c2sc21831c","","","0.71073","MoKα","","0.0157","0.0137","","","0.033","0.0337","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514601","6.6342","0.0003","7.2435","0.0003","9.0416","0.0004","101.074","0.002","109.754","0.002","99.964","0.001","387.76","0.03","100","","100","","","","","","","","pentane,","3","P -1","-P 1","2","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","","Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno","Stereoselective intramolecular cyclopropanation through catalytic olefin activation","Chemical Science","2013","4","3","1105","","10.1039/c2sc21914j","","","1.54184","Cu-Kα","","0.034","0.0334","","","0.0823","0.0828","","","","","","1.073","","","","has coordinates","296166","2024-11-29","15:16:34",""
"1514602","9.3855","0.0003","9.7769","0.0003","26.717","0.0007","90","","90","","90","","2451.58","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0368","0.0353","","","0.0988","0.1","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514603","9.4924","0.0005","9.8406","0.0005","26.8817","0.0013","90","","90","","90","","2511","0.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0555","0.0482","","","0.1463","0.1551","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514604","9.3869","0.0008","9.5879","0.0008","14.4964","0.0012","98.492","0.005","98.354","0.006","101.089","0.006","1245.85","0.19","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C32 H60 F24 N8 P4 -","4","2","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.71073","MoKα","","0.1041","0.0846","","","0.244","0.275","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514605","9.5818","0.0013","9.5826","0.0009","14.5801","0.001","99.219","0.01","99.252","0.006","99.667","0.01","1278.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C32 H60 F24 N8 P4 -","4","2","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.56085","AgKα","","0.0896","0.074","","","0.2113","0.2319","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514606","8.8215","0.0008","9.0796","0.0009","9.0381","0.0008","96.671","0.007","114.768","0.006","103.071","0.007","621.82","0.11","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.71073","MoKα","","0.0759","0.0503","","","0.128","0.1448","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514607","4.92063","0.0001","15.6607","0.0004","10.4554","0.0003","90","","99.6328","0.0014","90","","794.34","0.03","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","","Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru","Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations","Chemical Science","2013","4","3","1111","","10.1039/c2sc22045h","","","1.54187","CuKα","","","0.0337","","","","0.0951","","","","","","0.487","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514608","12.2352","0.0005","16.6412","0.0007","25.9304","0.0012","76.808","0.003","80.972","0.003","74.261","0.002","4922.1","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H71 F30 N6 O8 S4 -","- C108 H71 F30 N6 O8 S4 -","- C216 H142 F60 N12 O16 S8 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.3347","0.1054","","","0.1921","0.2861","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514609","12.2654","0.0002","15.3627","0.0003","24.8758","0.0004","101.432","0.0008","93.5605","0.0008","112.749","0.0008","4186.74","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H32 Cl4 F30 N6 S4 -","- C75 H32 Cl4 F30 N6 S4 -","- C150 H64 Cl8 F60 N12 S8 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.1488","0.1176","","","0.321","0.3743","","","","","","1.268","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514610","16.133","0.0008","7.8286","0.0005","29.837","0.0016","90","","102.318","0.003","90","","3681.6","0.4","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75.78 H37.56 Cl3.56 F30 N6 S4 -","- C75.78 H37.56 Cl3.56 F30 N6 S4 -","- C151.56 H75.12 Cl7.12 F60 N12 S8 -","2","0.5","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.1485","0.0784","","","0.1805","0.2316","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514611","16.483","0.0008","19.8976","0.0009","20.2276","0.0009","76.119","0.001","74.622","0.001","81.57","0.001","6185.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C119 H162 F3 Fe5 N17 O41 S Yb3 -","- C101.5 H135.5 F1.5 Fe5 N8.5 O39.5 S0.5 Yb3 -","- C203 H271 F3 Fe10 N17 O79 S Yb6 -","2","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0345","0.0278","","","0.0758","0.0781","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514612","14.2113","0.0009","18.558","0.0013","19.2","0.0012","84.231","0.005","70.788","0.005","83.144","0.005","4737.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H111 Fe4 N7 O29 Yb2 -","- C81 H105 Fe4 N5 O29 Yb2 -","- C162 H210 Fe8 N10 O58 Yb4 -","2","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0906","0.0686","","","0.1752","0.1851","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514613","19.9227","0.0015","19.679","0.0012","22.0382","0.0015","90","","108.184","0.008","90","","8208.8","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Fe3 N5 O25 Yb2 -","- C72 H94 Fe3 N5 O25 Yb2 -","- C288 H376 Fe12 N20 O100 Yb8 -","4","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.1091","0.0547","","","0.1262","0.1534","","","","","","0.981","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514614","14.449","0.002","24.951","0.004","23.76","0.004","90","","101.82","0.002","90","","8384","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 Fe4 N7 O27 S2 Yb2 -","- C56 H101 Fe4 N6 O24 S2 Yb2 -","- C224 H404 Fe16 N24 O96 S8 Yb8 -","4","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.8","synchrotron","","0.1173","0.0974","","","0.2615","0.2858","","","","","","1.293","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514615","16.553","0.0012","20.5964","0.0013","21.1312","0.0016","108.791","0.005","101.118","0.006","95.993","0.005","6583.9","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C182 H353 Fe10 N51 O90 Yb10 -","- C140 H286 Fe10 N30 O90 Yb10 -","- C140 H286 Fe10 N30 O90 Yb10 -","1","0.5","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0785","0.0474","","","0.1034","0.1101","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514616","9.898","0.0015","14.2365","0.0015","17.039","0.003","90","","94.369","0.013","90","","2394","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N2 O14 Yb2 -","- C46 H60 N2 O14 Yb2 -","- C92 H120 N4 O28 Yb4 -","2","0.5","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0821","0.0484","","","0.1044","0.1104","","","","","","0.983","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514617","32.591","0.003","32.591","0.003","5.1877","0.0005","90","","90","","120","","4772","0.8","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C17 H31 Cl N2 O6 -","- C17 H31 Cl N2 O6 -","- C153 H279 Cl9 N18 O54 -","9","3","","Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib","Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination","Chemical Science","2013","4","12","4494","","10.1039/c3sc51599k","","","1.54184","CuKα","","0.0506","0.0438","","","0.1168","0.1211","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514618","7.5487","0.0004","12.3687","0.0005","13.3085","0.0006","86.885","0.004","79.43","0.004","78.079","0.004","1194.98","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 N4 O10 S2 -","- C52 H62 N4 O10 S2 -","- C52 H62 N4 O10 S2 -","1","0.5","","Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi","Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures","Chemical Science","2013","4","12","4486","","10.1039/c3sc52342j","","","0.71073","MoKα","","0.0515","0.0397","","","0.0882","0.0937","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514619","10.8296","0.0002","22.4623","0.0002","24.9069","0.0003","90","","90","","90","","6058.8","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H88 Mg2 N4 O3 -","- C65 H88 Mg2 N4 O3 -","- C260 H352 Mg8 N16 O12 -","4","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","1.54184","CuKα","","0.0286","0.0283","","","0.073","0.0732","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514620","48.559","0.003","13.67","0.0009","17.5247","0.0011","90","","103.46","0.003","90","","11313.4","1.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H82 Mg2 N4 O3 -","- C59 H82 Mg2 N4 O3 -","- C472 H656 Mg16 N32 O24 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0948","0.0524","","","0.1137","0.1347","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514621","14.5246","0.0009","15.621","0.0009","25.9215","0.0014","90","","90","","90","","5881.3","0.6","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C60 H82 Mg2 N4 O4 -","- C60 H82 Mg2 N4 O4 -","- C240 H328 Mg8 N16 O16 -","4","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0647","0.0466","","","0.1053","0.1159","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514622","22.886","0.005","14.823","0.003","16.196","0.003","90","","90.65","0.03","90","","5494","1.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Mg2 N4 O2 -","- C58 H84 Mg2 N4 O2 -","- C232 H336 Mg8 N16 O8 -","4","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.1761","0.0775","","","0.1822","0.2258","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514623","12.168","0.0013","12.6241","0.0014","13.176","0.002","98.046","0.011","111.433","0.012","109.68","0.01","1692.2","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H104 Mg2 N4 O3 -","- C72 H104 Mg2 N4 O3 -","- C72 H104 Mg2 N4 O3 -","1","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0587","0.0448","","","0.112","0.123","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514624","12.749","0.003","14.372","0.003","18.802","0.004","90","","95.03","0.03","90","","3431.8","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H106 Mg2 N4 O4 -","- C73 H106 Mg2 N4 O4 -","- C146 H212 Mg4 N8 O8 -","2","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0973","0.0786","","","0.2112","0.2273","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514625","14.86","0.003","17.21","0.003","45.3","0.009","90","","90","","90","","11585","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C59 H82 Mg2 N4 O S2 -","- C59 H82 Mg2 N4 O S2 -","- C472 H656 Mg16 N32 O8 S16 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.7108","Synchrotron","","0.1105","0.0989","","","0.2167","0.2218","","","","","","1.22","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514626","12.0374","0.0017","12.0374","0.0017","44.799","0.009","90","","90","","120","","5621.7","1.6","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C83 H116 Mg2 N6 O -","- C83 H116 Mg2 N6 O -","- C249 H348 Mg6 N18 O3 -","3","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0457","0.0389","","","0.0868","0.09","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514627","13.1816","0.0005","16.205","0.0006","31.9827","0.0011","79.216","0.003","83.332","0.003","68.828","0.003","6249.3","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H92 Mg2 N4 O2 S2 -","- C63 H92 Mg2 N4 O2 S2 -","- C252 H368 Mg8 N16 O8 S8 -","4","2","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0827","0.0511","","","0.1042","0.1186","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514628","8.6436","0.0003","12.2137","0.0004","10.588","0.0003","90","","100.721","0.002","90","","1098.27","0.06","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C52 H46 N2 O6 S2 -","2","1","","Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio","Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes","Chemical Science","2013","4","12","4499","","10.1039/c3sc52379a","","","1.54187","CuKα","","0.0844","0.0592","","","0.1455","0.1877","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514629","11.2358","0.0013","9.1056","0.001","15.9131","0.0018","90","","104.579","0.0042","90","","1575.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.016","","3.11","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514630","11.30697","0.00076","9.06586","0.00042","15.94455","0.00091","90","","105.28","0.0033","90","","1576.66","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F N4 O4 -","- C15 H15 F N4 O4 -","- C60 H60 F4 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.017","","5.01","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514631","8.78113","0.00087","10.06607","0.00056","10.5609","0.0014","105.871","0.0058","72.7172","0.0063","71.1516","0.0063","769.83","0.16","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N4 O4 -","- C15 H15 F N4 O4 -","- C30 H30 F2 N8 O8 -","2","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.021","","7.53","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514632","11.39598","0.00091","9.15968","0.00051","15.8701","0.0012","90","","104.025","0.0043","90","","1607.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.022","","6.67","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514633","11.36104","0.00082","9.11522","0.00046","15.8828","0.0013","90","","101.777","0.0041","90","","1610.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.021","","5.28","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514634","11.33562","0.00074","9.12362","0.00042","15.9442","0.0011","90","","104.26","0.0039","90","","1598.17","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.019","","5.12","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514635","14.263","0.0011","8.13716","0.00048","16.0129","0.0016","90","","121.214","0.0035","90","","1589.4","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F4 N4 O4 -","- C15 H12 F4 N4 O4 -","- C60 H48 F16 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.017","","5.01","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514636","13.2146","0.0001","8.7249","0.0001","26.334","0.0002","90","","98.44","","90","","3003.32","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 S4 -","- C36 H20 N4 S4 -","- C144 H80 N16 S16 -","4","1","","Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro","Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes","Chemical Science","2013","4","12","4465","","10.1039/c3sc52232f","","","0.8","synchrotron","","0.0746","0.073","","","0.2169","0.2177","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514637","11.042","0.002","32.589","0.007","14.243","0.003","90","","100.66","0.03","90","","5036.9","1.8","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 B2 F12 N10 O Rh2 -","- C42 H46 B2 F12 N10 O Rh2 -","- C168 H184 B8 F48 N40 O4 Rh8 -","4","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0852","0.0587","","","0.1314","0.1435","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514638","14.135","0.003","21.331","0.004","31.17","0.006","90","","90","","90","","9398","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0793","0.059","","","0.1524","0.1764","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514639","14.338","0.003","21.619","0.004","31.136","0.006","90","","90","","90","","9651","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 B2 F8 N10 Rh2 -","- C42 H48 B2 F8 N10 Rh2 -","- C336 H384 B16 F64 N80 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0374","0.0262","","","0.059","0.066","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514640","11.11","0.002","31.777","0.006","14.195","0.003","90","","101.13","0.03","90","","4917.2","1.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 B2 F12 N10 O Rh2 -","- C42 H46 B2 F12 N10 O Rh2 -","- C168 H184 B8 F48 N40 O4 Rh8 -","4","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.048","0.0374","","","0.0914","0.0982","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514641","14.126","0.003","21.399","0.004","31.434","0.006","90","","90","","90","","9502","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.068","0.0443","","","0.101","0.1133","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514642","22.272","0.004","22.161","0.004","22.409","0.004","90","","119.43","0.03","90","","9633","4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 B2 F8 N6 P2 Rh2 -","- C48 H46 B2 F8 N6 P2 Rh2 -","- C384 H368 B16 F64 N48 P16 Rh16 -","8","2","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0459","0.0328","","","0.0899","0.0977","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514643","16.0527","0.0003","5.5303","0.0001","20.7663","0.0007","90","","115.425","0.002","90","","1665","0.08","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.0401","0.0365","","","0.099","0.1022","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514644","9.79459","0.00015","10.18235","0.00018","34.1007","0.0007","90","","90","","90","","3400.93","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.051","0.0481","","","0.1294","0.132","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514645","11.663","0.004","5.822","0.002","21.566","0.008","90","","100.89","0.02","90","","1438","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H27 Br F3 N O8 S -","- C28 H27 Br F3 N O8 S -","- C56 H54 Br2 F6 N2 O16 S2 -","2","1","","Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping","Enantioselective intermolecular bromoesterification of allylic sulfonamides","Chemical Science","2013","4","6","2652","","10.1039/c3sc50446h","","","1.54178","CuKα","","0.026","0.0258","","","0.0645","0.0646","","","","","","1.07","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1514646","6.9645","0.0004","25.7559","0.0015","9.9824","0.0006","90","","99.152","0.001","90","","1767.82","0.18","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H13 F2 N4 O3 Pt -","- C19 H13 F2 N4 O3 Pt -","- C76 H52 F8 N16 O12 Pt4 -","4","1","","Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming","Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors","Chemical Science","2013","4","6","2630","","10.1039/c3sc21822h","","","1.54178","CuKα","","0.057","0.0568","","","0.1501","0.1503","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514647","11.5589","0.0009","8.2655","0.0007","22.3063","0.0015","90","","111.907","0.004","90","","1977.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl2 F2 N4 O2 Pt -","- C20 H14 Cl2 F2 N4 O2 Pt -","- C80 H56 Cl8 F8 N16 O8 Pt4 -","4","1","","Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming","Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors","Chemical Science","2013","4","6","2630","","10.1039/c3sc21822h","","","1.54178","CuKα","","0.0816","0.0744","","","0.2267","0.2377","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514648","8.1851","0.0004","8.5344","0.0005","13.5521","0.0009","94.129","0.005","99.175","0.004","114.976","0.004","836.84","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DPAP","","","- C20.5 H13 Cl N3 -","- C20.5 H13 Cl N3 -","- C41 H26 Cl2 N6 -","2","1","","Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás","Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods","Chemical Science","2013","4","6","2502","","10.1039/c3sc50290b","","","1.54178","","","0.0663","0.0598","","","0.1614","0.1682","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514650","21.267","0.002","11.483","0.0013","26.049","0.003","90","","111.875","0.002","90","","5903.4","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H95 Fe N10 O6 -","- C54 H83 Fe N10 O6 -","- C216 H332 Fe4 N40 O24 -","4","2","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.1395","0.0846","","","0.2127","0.2525","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514651","21.346","0.005","12.362","0.005","12.855","0.004","90","","120.033","0.013","90","","2936.7","1.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 B2 Co F8 N5 O -","- C29 H27 B2 Co F8 N5 O -","- C116 H108 B8 Co4 F32 N20 O4 -","4","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0358","0.0314","","","0.0821","0.0842","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514652","10.9398","0.0012","22.107","0.003","16.8809","0.0019","90","","92.003","0.006","90","","4080.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F0 Fe N8 O -","- C22 H13 Fe N8 O -","- C176 H104 Fe8 N64 O8 -","8","2","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0912","0.0513","","","0.1327","0.1563","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514653","13.5995","0.001","14.2091","0.001","24.965","0.0019","90","","103.148","0.003","90","","4697.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H92 Co2 Fe2 N26 O5 -","- C107 H80 Co2 Fe2 N26 O5 -","- C214 H160 Co4 Fe4 N52 O10 -","2","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0565","0.05","","","0.1331","0.1364","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514654","13.6545","0.0015","14.348","0.0017","25.328","0.003","90","","102.313","0.005","90","","4848","1","370","2","370","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H92 Co2 Fe2 N26 O5 -","- C107 H72 Co2 Fe2 N26 O5 -","- C214 H144 Co4 Fe4 N52 O10 -","2","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0658","0.0511","","","0.1266","0.1356","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514655","9.9184","0.0002","20.5507","0.0004","17.2472","0.0004","90","","101.677","0.002","90","","3442.74","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H17 B F15 P -","- C39 H17 B F15 P -","- C156 H68 B4 F60 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","0.71073","MoKα","","0.0506","0.0422","","","0.0996","0.1068","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514656","8.3314","0.0003","23.9142","0.0009","14.7962","0.0009","90","","90.618","0.004","90","","2947.8","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 B F10 P -","- C34 H20 B F10 P -","- C136 H80 B4 F40 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0695","0.0505","","","0.1212","0.1368","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514657","13.8351","0.0008","11.5678","0.0008","30.569","0.003","90","","101.896","0.007","90","","4787.2","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 B F15 N P -","- C44 H26 B F15 N P -","- C176 H104 B4 F60 N4 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0858","0.0702","","","0.1936","0.2077","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514658","10.1806","0.0005","10.4896","0.0003","17.7612","0.0008","94.693","0.003","95.33","0.005","112.36","0.003","1732.34","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 B F10 N P -","- C39 H29 B F10 N P -","- C78 H58 B2 F20 N2 P2 -","2","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0454","0.0416","","","0.105","0.1085","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514659","17.6472","0.0007","14.6343","0.0004","18.4267","0.0007","90","","103.288","0.002","90","","4631.4","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 B Cl4 F15 N P -","- C46 H30 B Cl4 F15 N P -","- C184 H120 B4 Cl16 F60 N4 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.113","0.0898","","","0.2467","0.2724","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514660","39.1199","0.0004","16.3061","0.0002","23.4811","0.0004","90","","97.421","0.001","90","","14853","0.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H30 B Cl F10 N P -","- C39.5 H30 B Cl F10 N P -","- C632 H480 B16 Cl16 F160 N16 P16 -","16","2","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0592","0.0531","","","0.1445","0.1498","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514661","11.8916","0.0003","15.4391","0.0004","17.7101","0.0005","90","","90","","90","","3251.5","0.15","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 Br3 N O4 S -","- C34 H30 Br3 N O4 S -","- C136 H120 Br12 N4 O16 S4 -","4","1","","Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin","cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity","Chemical Science","2013","4","6","2613","","10.1039/c3sc50666e","","","0.71073","MoKα","","0.0997","0.0493","","","0.103","0.1378","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514662","8.5561","0.0012","28.71","0.004","29.726","0.004","90","","90","","90","","7302.1","1.7","173.2","","173.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl6 Ir N2 O3 -","- C32 H37 Cl6 Ir N2 O3 -","- C256 H296 Cl48 Ir8 N16 O24 -","8","2","","Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B.","Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization","Chemical Science","2013","4","6","2590","","10.1039/c3sc50886b","","","0.71073","MoKα","","0.0558","0.0465","","","0.1062","0.1102","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514663","6.6609","0.0002","9.7886","0.0005","18.8033","0.0008","90","","106.893","0.003","90","","1173.09","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","","Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard","Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system","Chemical Science","2013","4","6","2418","","10.1039/c3sc50725d","","","0.71073","MoKα","","0.0536","0.0389","","","0.0976","0.107","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514664","5.8262","0.0002","21.4617","0.0013","9.2279","0.0004","90","","95.017","0.003","90","","1149.44","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","","Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard","Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system","Chemical Science","2013","4","6","2418","","10.1039/c3sc50725d","","","0.71073","MoKα","","0.0703","0.0417","","","0.0969","0.1105","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514665","14.0847","0.0011","15.7003","0.0012","25.3994","0.0019","90","","91.481","0.002","90","","5614.8","0.7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 F6 N O10 P -","- C55 H54 F6 N O10 P -","- C220 H216 F24 N4 O40 P4 -","4","1","","Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava","First demonstration of two-step FRET in a synthetic supramolecular assembly","Chemical Science","2013","4","6","2380","","10.1039/c3sc50282a","","","0.71073","MoKα","","0.1771","0.1183","","","0.293","0.3256","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514666","23.095","0.01","4.8656","0.0017","18.761","0.008","90","","122.671","0.005","90","","1774.6","1.2","103","2","103","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.079","0.0645","","","0.1576","0.169","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514667","8.283","0.009","12.769","0.018","13.17","0.02","80.39","0.09","77.65","0.11","71.77","0.1","1285","3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H14 F12 -","- C32 H14 F12 -","- C64 H28 F24 -","2","1","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.176","0.1086","","","0.2672","0.3426","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514668","14.463","0.008","15.645","0.009","17.602","0.01","107.771","0.01","98.2863","0.0012","105.005","0.01","3554","3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 O4 -","- C32 H25 O4 -","- C192 H150 O24 -","6","3","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1944","0.1158","","","0.2795","0.3452","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514669","11.38","0.003","8.787","0.002","15.36","0.005","90","","111.613","0.003","90","","1428","0.7","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O8 -","- C36 H34 O8 -","- C72 H68 O16 -","2","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1671","0.1478","","","0.4388","0.4444","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514670","17.55","0.005","7.302","0.0018","18.848","0.005","90","","94.759","0.005","90","","2407","1.1","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F6 O2 -","- C32 H20 F6 O2 -","- C128 H80 F24 O8 -","4","1","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1171","0.0671","","","0.1506","0.1803","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514671","10.094","0.006","12.055","0.007","19.805","0.011","81.395","0.02","80.7","0.02","89.36","0.02","2351","2","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","2","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.2815","0.1334","","","0.302","0.4027","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514672","11.675","0.003","5.0054","0.0008","14.303","0.003","90","","98.451","0.012","90","","826.8","0.3","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C44 H36 O8 -","2","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.0751","0.0628","","","0.1517","0.1671","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514673","10.4133","0.0003","12.3601","0.0004","16.6001","0.0006","111.7","0.002","102.333","0.002","93.499","0.002","1916.15","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 F3 O3 -","- C12 H15 F3 O3 -","- C72 H90 F18 O18 -","6","3","","Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao","Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands","Chemical Science","2013","4","6","2478","","10.1039/c3sc50582k","","","1.54178","CuKα","","0.1287","0.1206","","","0.4204","0.4381","","","","","","2.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514674","6.7008","0.0002","14.8959","0.0006","16.9986","0.0006","90","","93.806","0.003","90","","1692.96","0.1","292.05","0.1","292.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F N O S -","- C20 H20 F N O S -","- C80 H80 F4 N4 O4 S4 -","4","1","","Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui","Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones","Chemical Science","2013","4","6","2645","","10.1039/c3sc50604e","","","0.7107","MoKα","","0.0842","0.054","","","0.1522","0.1823","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514675","8.3008","0.0006","10.0109","0.0008","10.1613","0.0006","76.211","0.006","79.041","0.006","87.821","0.006","805.07","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 N3 S -","- C20 H13 N3 S -","- C40 H26 N6 S2 -","2","1","","Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo","Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes","Chemical Science","2013","4","5","1964","","10.1039/c3sc22241a","","","0.7107","MoKα","","0.0814","0.0495","","","0.1013","0.1215","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514676","22.2937","0.0004","22.2937","0.0004","8.766","0.0002","90","","90","","90","","4356.78","0.15","293","2","293.15","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H23 Cl N3 Rh -","- C22 H23 Cl N3 Rh -","- C176 H184 Cl8 N24 Rh8 -","8","1","","Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo","Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes","Chemical Science","2013","4","5","1964","","10.1039/c3sc22241a","","","0.7107","MoKα","","0.0396","0.0319","","","0.0748","0.0788","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514677","11.3782","0.0002","12.8716","0.0002","13.5328","0.0003","103.493","0.0016","91.2746","0.0016","90.1766","0.0016","1926.7","0.06","180","2","180","","","","","","","","","6","P 1","P 1","1","","","","- C40 H54 I N3 O Pd -","- C40 H54 I N3 O Pd -","- C80 H108 I2 N6 O2 Pd2 -","2","2","","Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter","Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study","Chemical Science","2013","4","5","1995","","10.1039/c3sc00098b","","","0.7107","MoKα","","0.0295","0.0265","","","0.0596","0.0618","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514682","11.741","0.003","12.62","0.003","15.891","0.004","90","","90","","90","","2354.6","1","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl N2 O S -","- C28 H27 Cl N2 O S -","- C112 H108 Cl4 N8 O4 S4 -","4","1","","Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes","Chemical Science","2013","4","5","2193","","10.1039/c3sc50199j","","","0.71075","MoKα","","","0.0499","","","","0.1148","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514687","10.3948","0.0005","12.9525","0.0006","25.0752","0.0013","90","","92.424","0.003","90","","3373.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl N3 O2 -","- C35 H48 Cl N3 O2 -","- C140 H192 Cl4 N12 O8 -","4","1","","Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.","Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene","Chemical Science","2013","4","5","2117","","10.1039/c3sc22171g","","","0.71073","MoKα","","0.0844","0.0545","","","0.0731","0.0742","","","","","","2.4","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514688","8.9329","0.0003","15.3817","0.0005","16.3064","0.0006","79.606","0.002","81.358","0.002","75.254","0.002","2118.34","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H53 B2 F8 N3 O3 -","- C39 H53 B2 F8 N3 O3 -","- C78 H106 B4 F16 N6 O6 -","2","1","","Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.","Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene","Chemical Science","2013","4","5","2117","","10.1039/c3sc22171g","","","0.71073","MoKα","","0.1344","0.084","","","0.1135","0.1147","","","","","","4.929","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514689","12.2674","0.0012","13.4426","0.0014","19.906","0.002","83.633","0.009","76.942","0.009","65.569","0.01","2910.8","0.6","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C79 H48 Cl5 -","- C79 Cl5 -","- C158 Cl10 -","2","1","","Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin","Supersized contorted aromatics","Chemical Science","2013","4","5","2018","","10.1039/c3sc50374g","","","0.71073","MoKα","","0.2278","0.0927","","0.3041","0.2025","0.3041","","","","","","1.8274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514690","8.796","0.001","8.8679","0.0007","10.3885","0.0009","75.311","0.007","80.306","0.009","71.263","0.01","738.95","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0742","0.0704","","0.1963","0.1905","0.1963","","","","","","0.9627","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514691","9.7796","0.0003","10.0791","0.0003","21.9689","0.0005","90","","96.101","0.002","90","","2153.2","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 F3 N O2 -","- C24 H28 F3 N O2 -","- C96 H112 F12 N4 O8 -","4","1","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0424","0.0406","","0.0813","0.0796","0.0813","","","","","","1.0227","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514692","10.7367","0.0008","11.183","0.0005","16.106","0.0007","76.241","0.004","75.622","0.005","77.643","0.005","1794.66","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","2","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0528","0.0434","","0.1159","0.1072","0.1159","","","","","","1.0246","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514693","8.953","0.002","9.856","0.002","14.208","0.003","89.921","0.017","72.269","0.017","70.983","0.017","1122.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tert-Butyl-2-(4-bromophenyl)-2-cyano-2-(3-oxocyclohexyl)acetate","","- C21 H27 Br N O3.5 -","- C21 H27 Br N O3.5 -","- C42 H54 Br2 N2 O7 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1601","0.08","","","0.1409","0.1622","","","","","","1.044","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514694","28.468","0.005","6.5087","0.0019","10.903","0.002","90","","101.161","0.017","90","","1982","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-tert-Butyl-2-(4-bromophenyl)-2-cyano-2-((R)-2-oxooxepan-4-yl)acetate","","- C19 H22 Br N O4 -","- C19 H22 Br N O4 -","- C76 H88 Br4 N4 O16 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.0986","0.0667","","","0.1444","0.1602","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514695","16.349","0.003","11.424","0.003","20.499","0.005","90","","90","","90","","3828.6","1.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tert-Butyl-2-cyano-2-(3-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetate","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","2","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.16","0.0787","","","0.1325","0.1553","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514696","13.807","0.003","9.648","0.002","15.895","0.003","90","","95.425","0.016","90","","2107.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-chlorophenyl)-2-cyano-2-(6,6-dimethyl-2-oxooxepan-4-yl)acetate","","- C21 H26 Cl N O4 -","- C21 H26 Cl N O4 -","- C84 H104 Cl4 N4 O16 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1831","0.0912","","","0.1749","0.198","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514697","12.2391","0.0011","13.5132","0.0011","12.6257","0.0011","90","","118.77","0.004","90","","1830.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-chlorophenyl)-2-cyano-2-(3-oxocyclohexyl)acetate","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C76 H88 Cl4 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.0485","0.0383","","","0.0955","0.0989","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514698","19.981","0.002","10.4357","0.0012","20.133","0.002","90","","104.963","0.007","90","","4055.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-bromophenyl)-2-cyano-2-(3,3-dimethyl-5-oxocyclo-hexyl)acetate","","- C21 H26 Br N O3 -","- C21 H26 Br N O3 -","- C168 H208 Br8 N8 O24 -","8","2","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1147","0.0622","","","0.124","0.1349","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514699","9.0052","0.0005","19.3148","0.0011","11.0511","0.0007","90","","110.477","0.002","90","","1800.7","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl-2-cyano-2-(3-hydroxycyclohexyl)-2-phenylacetate","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0379","0.0365","","","0.0877","0.0889","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514700","8.2536","0.0003","12.3017","0.0005","17.9593","0.0007","90","","90","","90","","1823.47","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-tert-Butyl-2-cyano-2-((1R,3S)-3-hydroxycyclohexyl)-2-phenylacetate","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0343","0.025","","","0.0637","0.064","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514701","9.4884","0.0004","7.3139","0.0003","12.2804","0.0006","90","","105.801","0.002","90","","820.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-((1R,3S)-3-Methoxycyclohexyl)-5-phenylimidazolidine-2,4-dione","","- C16 H20 N2 O3.33 -","- C16 H20 N2 O3.33 -","- C32 H40 N4 O6.66 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0275","0.0269","","","0.0688","0.0694","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514702","10.7474","0.0007","7.1883","0.0005","12.3435","0.0008","90","","112.278","0.002","90","","882.42","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","compound (S,R,S)-7","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0251","0.025","","","0.0662","0.0664","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514703","29.7078","0.0006","13.6826","0.0004","21.4688","0.0006","90","","114.327","0.0015","90","","7951.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 B F15 O2 Sc -","- C42 H34 B F15 O2 Sc -","- C336 H272 B8 F120 O16 Sc8 -","8","1","","Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile","Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide","Chemical Science","2013","4","5","2152","","10.1039/c3sc50145k","","","0.71073","MoKα","","0.0888","0.0612","","","0.1181","0.1349","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514704","13.9542","0.0003","16.0174","0.0005","17.9508","0.0005","90","","97.5764","0.0015","90","","3977.16","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B F15 Sc -","- C42 H36 B F15 Sc -","- C168 H144 B4 F60 Sc4 -","4","1","","Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile","Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide","Chemical Science","2013","4","5","2152","","10.1039/c3sc50145k","","","0.71073","MoKα","","0.1042","0.0692","","","0.1271","0.1446","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514705","6.229","0.003","11.758","0.007","12.009","0.007","88.61","0.04","77.64","0.06","83.8","0.04","854.1","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.0752","","","","0.2094","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514706","14.6982","0.0017","4.5311","0.0005","19.448","0.003","90","","97.309","0.004","90","","1284.7","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F N O3 -","- C15 H12 F N O3 -","- C60 H48 F4 N4 O12 -","4","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1206","","","","0.3223","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514707","5.707","0.007","7.877","0.011","18.99","0.03","98.61","0.06","91.4","0.08","91.03","0.03","844","2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O6 S -","- C17 H17 N O6 S -","- C34 H34 N2 O12 S2 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1261","","","","0.4028","","","","","","1.233","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514708","7.89","0.03","5.6","0.02","16.51","0.06","90","","102.65","0.07","90","","712","5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H8 F5 N O3 -","- C15 H8 F5 N O3 -","- C30 H16 F10 N2 O6 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1561","","","","0.43","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514709","12.6203","0.0002","13.1151","0.0002","13.4075","0.0002","81.395","0.001","89.382","0.001","84.039","0.001","2182.29","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Chisholm 1904","","","- C92 H96 Mo2 N4 O10 S2 -","- C92 H96 Mo2 N4 O10 S2 -","- C92 H96 Mo2 N4 O10 S2 -","1","0.5","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.","MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states","Chemical Science","2013","4","5","2105","","10.1039/c3sc50322d","","x-ray","0.71073","MoKα","","0.0467","0.0347","","","0.085","0.0924","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514710","12.843","0.003","16.816","0.003","21.696","0.004","74.31","0.03","76.48","0.03","72.72","0.03","4247","1.7","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1892","","","- C88 H100 Mo2 N4 O11 -","- C88 H100 Mo2 N4 O11 -","- C176 H200 Mo4 N8 O22 -","2","1","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.","MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states","Chemical Science","2013","4","5","2105","","10.1039/c3sc50322d","","x-ray","0.71073","MoKα","","0.0998","0.059","","","0.1544","0.1682","","","","","","1.08","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1514711","12.1824","0.0008","7.56","0.0004","12.3739","0.0006","90","","106.815","0.006","90","","1090.9","0.11","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.061","0.0444","","","0.1024","0.1145","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514712","10.8034","0.0005","6.9959","0.0003","19.4702","0.0011","90","","102.269","0.005","90","","1437.94","0.12","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C60 H68 N20 O8 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0827","0.0546","","","0.1281","0.1519","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514713","23.0013","0.0019","5.0777","0.0003","11.154","0.0009","90","","90","","90","","1302.72","0.17","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0608","0.0419","","","0.0912","0.1053","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514714","6.7553","0.0003","9.2885","0.0005","14.5501","0.0006","90","","95.168","0.004","90","","909.26","0.07","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 F N2 S -","- C10 H5 F N2 S -","- C40 H20 F4 N8 S4 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0571","0.0394","","","0.0901","0.1007","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514715","6.0479","0.0004","8.1021","0.0005","14.5564","0.001","81.543","0.006","83.748","0.005","72.375","0.006","670.83","0.08","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N O2 S -","- C16 H12 N O2 S -","- C32 H24 N2 O4 S2 -","2","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.1016","0.0796","","","0.2035","0.2322","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514716","6.2339","0.0001","8.9683","0.0002","14.0067","0.0003","81.624","0.002","89.228","0.002","75.671","0.001","750.42","0.03","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 F3 N2 O4 S -","- C13 H13 F3 N2 O4 S -","- C26 H26 F6 N4 O8 S2 -","2","1","","Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido","N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents","Chemical Science","2013","4","5","2177","","10.1039/c3sc00099k","","","1.54178","CuKα","","0.0479","0.0455","","","0.1179","0.1203","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514717","9.6013","0.0001","7.0186","0.0001","25.4572","0.0004","90","","92.806","0.001","90","","1713.44","0.04","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N2 O4 S -","- C15 H17 F3 N2 O4 S -","- C60 H68 F12 N8 O16 S4 -","4","1","","Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido","N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents","Chemical Science","2013","4","5","2177","","10.1039/c3sc00099k","","","1.54178","CuKα","","0.0555","0.0502","","","0.1346","0.1395","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514718","10.1814","0.0002","20.4882","0.0004","16.7346","0.0003","90","","103.158","0.0011","90","","3399.16","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49.95 Ga Mn N2 O2 -","- C37 H49.95 Ga Mn N2 O2 -","- C148 H199.8 Ga4 Mn4 N8 O8 -","4","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.1473","0.0732","","0.2096","0.1459","0.2096","","","","","","1.0437","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514719","9.083","0.0001","9.083","0.0001","41.8928","0.0005","90","","90","","90","","3456.19","0.07","150","","150","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H41 Ga Mo N2 O5 -","- C34 H41 Ga Mo N2 O5 -","- C136 H164 Ga4 Mo4 N8 O20 -","4","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0659","0.0543","","0.1298","0.117","0.1298","","","","","","0.8947","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514720","9.15777","0.0001","35.5896","0.0006","21.105","0.0003","90","","90","","90","","6878.57","0.17","150","","150","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C34 H41 Ga N2 O5 W -","- C34 H41 Ga N2 O5 W -","- C272 H328 Ga8 N16 O40 W8 -","8","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.54184","CuKα","","0.062","0.0588","","0.1196","0.119","0.1196","","","","","","0.8871","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514721","8.8239","0.0002","19.5134","0.0004","21.404","0.0004","90.0148","0.0016","89.9906","0.0018","90.0029","0.0019","3685.43","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 Co2 Ga N2 O7 -","- C36 H41 Co2 Ga N2 O7 -","- C144 H164 Co8 Ga4 N8 O28 -","4","2","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.54184","CuKα","","0.034","0.0286","","0.0745","0.0648","0.0744","","","","","","0.9226","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514722","8.86","0.0001","21.5544","0.0002","9.0818","0.0001","90","","108.601","0.0004","90","","1643.77","0.03","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H42 Ga Mn N2 O4 -","- C33 H42 Ga Mn N2 O4 -","- C66 H84 Ga2 Mn2 N4 O8 -","2","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0435","0.0293","","0.0787","0.0653","0.0787","","","","","","0.9152","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514723","21.4272","0.0001","16.8902","0.0001","21.5723","0.0002","90","","108.729","0.0004","90","","7393.79","0.09","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 Cl Co Ga N2 O4 -","- C33 H41 Cl Co Ga N2 O4 -","- C264 H328 Cl8 Co8 Ga8 N16 O32 -","8","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.048","0.0333","","0.0992","0.0816","0.0992","","","","","","0.9727","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514724","8.8327","0.0001","18.3781","0.0002","20.6752","0.0002","90.0077","0.0007","90.0065","0.0007","85.7423","0.0005","3346.91","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Ga Mn N2 O2 -","- C37 H48 Ga Mn N2 O2 -","- C148 H192 Ga4 Mn4 N8 O8 -","4","2","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.056","0.0355","","0.0919","0.0749","0.0919","","","","","","0.9366","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514725","12.5663","0.0002","13.2686","0.0003","20.7262","0.0004","78.4857","0.0019","83.9447","0.0017","83.4912","0.0018","3352.25","0.12","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H53 B Co F24 Ga N2 O4 -","- C65 H53 B Co F24 Ga N2 O4 -","- C130 H106 B2 Co2 F48 Ga2 N4 O8 -","2","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.5418","CuKα","","0.0521","0.0489","","0.1228","0.1201","0.1228","","","","","","0.9839","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514726","10.8453","0.0014","12.173","0.0015","12.2364","0.0015","109.364","0.002","106.53","0.003","98.626","0.002","1406.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-mercapto-1,3-di(ethoxycarbonyl)azulene","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","2","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0811","0.0516","","","0.1235","0.1346","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514727","3.9099","0.0011","13.413","0.004","14.207","0.004","82.606","0.005","86.888","0.006","82.453","0.006","731.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,6-dichloro-1,3-diethoxycarbonylazulene","","","- C16 H14 Cl2 O4 -","- C16 H14 Cl2 O4 -","- C32 H28 Cl4 O8 -","2","1","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0933","0.07","","","0.1702","0.1876","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514728","23.574","0.002","11.1504","0.001","23.342","0.002","90","","90","","90","","6135.7","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PPh3Au](1,3-diethoxycarbonyl-2-mercapto-6-azulenethiolate)","","","- C34 H30 Au O4 P S2 -","- C34 H30 Au O4 P S2 -","- C272 H240 Au8 O32 P8 S16 -","8","2","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0342","0.0294","","","0.0698","0.0721","","","","","","0.998","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1514729","9.6661","0.0003","13.0872","0.0004","15.6977","0.0005","111.029","0.001","90.575","0.001","108.683","0.001","1738.24","0.1","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C15.5 H15 Cl3 N2 Pt S -","- C15.5 H15 Cl3 N2 Pt S -","- C62 H60 Cl12 N8 Pt4 S4 -","4","2","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","1.54178","CuKα","","0.0384","0.0377","","","0.0966","0.0971","","","","","","1.166","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1514730","9.4153","0.0005","12.0408","0.0007","16.6958","0.001","102.425","0.003","100.136","0.003","104.304","0.002","1737.82","0.18","100","2","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C35 H33 B Cl F4 N2 P Pt S2 -","- C35 H33 B Cl F4 N2 P Pt S2 -","- C70 H66 B2 Cl2 F8 N4 P2 Pt2 S4 -","2","1","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","0.71073","MoKα","","0.0313","0.0243","","","0.051","0.0546","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514731","10.295","0.0003","9.8283","0.0003","34.0318","0.0011","90","","94.67","0.001","90","","3431.99","0.18","100","2","99.95","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 B2 F8 N2 P Pt S2 -","- C35 H33 B2 F8 N2 P Pt S2 -","- C140 H132 B8 F32 N8 P4 Pt4 S8 -","4","1","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","0.71073","MoKα","","0.0398","0.038","","","0.0823","0.0829","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514732","15.1354","0.0004","9.24","0.0003","20.128","0.0006","90","","101.781","0.002","90","","2755.63","0.14","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H42 N2 Si -","- C30 H42 N2 Si -","- C120 H168 N8 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0757","0.0578","","","0.1372","0.1484","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514733","11.294","0.0004","12.168","0.0004","13.604","0.0004","96.759","0.002","90.61","0.002","90.961","0.002","1856.13","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 Mg N2 O2 Si -","- C38 H58 Mg N2 O2 Si -","- C76 H116 Mg2 N4 O4 Si2 -","2","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0989","0.0612","","","0.1597","0.1843","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514734","10.031","0.0001","30.017","0.0005","16.556","0.0003","90","","104.903","0.001","90","","4817.34","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mg N2 O3.5 Si -","- C42.05 H64 Mg N2 O3 Si -","- C168.2 H256 Mg4 N8 O12 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.1607","0.0815","","","0.2128","0.2434","","","","","","0.977","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514735","10.2642","0.0002","22.7621","0.0006","20.7835","0.0005","90","","98.249","0.002","90","","4805.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 Ca N2 O3 Si -","- C49 H72 Ca N2 O3 Si -","- C196 H288 Ca4 N8 O12 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.1379","0.0756","","","0.199","0.227","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514736","10.37","0.0003","18.852","0.0008","12.632","0.0005","90","","113.607","0.002","90","","2262.83","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H71 N2 O4 Si Sr -","- C46 H71 N2 O4 Si Sr -","- C92 H142 N4 O8 Si2 Sr2 -","2","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.109","0.064","","","0.1119","0.1238","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514737","27.371","0.002","7.0453","0.0006","18.8951","0.0014","90","","99.01","0.007","90","","3598.7","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F3 N3 O3 -","- C20 H18 F3 N3 O3 -","- C160 H144 F24 N24 O24 -","8","1","","Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L.","Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor","Chemical Science","2013","4","11","4121","","10.1039/c3sc51813b","","","0.71073","MoKα","","0.1192","0.0421","","","0.0595","0.067","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514738","11.948","0.0006","15.878","0.0008","24.9404","0.0011","90","","90","","90","","4731.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H77 N2 Na O3 Zn -","- C47 H77 N2 Na O3 Zn -","- C188 H308 N8 Na4 O12 Zn4 -","4","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.0928","0.0557","","","0.0895","0.101","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514739","9.7795","0.0005","10.1033","0.0005","20.1669","0.0008","90.336","0.004","103.989","0.004","118.932","0.005","1674.4","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H54 N2 Zn -","- C35 H54 N2 Zn -","- C70 H108 N4 Zn2 -","2","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","1.5418","CuKα","","0.0425","0.0388","","","0.0963","0.0989","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514740","12.5177","0.0002","33.2445","0.0006","18.2146","0.0003","90","","100.694","0.002","90","","7448.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H127 N2 Na O7 Zn2 -","- C71 H127 N2 Na O7 Zn2 -","- C284 H508 N8 Na4 O28 Zn8 -","4","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.0979","0.0781","","","0.1498","0.1585","","","","","","1.178","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"1514741","21.8628","0.0013","22.1892","0.0011","31.9347","0.0014","90","","90","","90","","15492.1","1.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Li N2 Zn -","- C39 H63 Li N2 Zn -","- C624 H1008 Li16 N32 Zn16 -","16","2","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.2203","0.0897","","","0.1845","0.2639","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514742","9.2833","0.0003","14.4759","0.0003","16.9188","0.0004","68.109","0.002","81.38","0.002","86.27","0.002","2085.74","0.1","150","0.1","150","0.1","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C45 H50 Au2 Cl N2 P -","- C45 H50 Au2 Cl N2 P -","- C90 H100 Au4 Cl2 N4 P2 -","2","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","1.5418","CuKα","","0.0382","0.0311","","","0.0764","0.0804","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514743","11.822","0.003","47.948","0.009","12.119","0.003","90","","104.545","0.006","90","","6649","3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F3 O2 -","- C18 H12 Br F3 O2 -","- C288 H192 Br16 F48 O32 -","16","8","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71073","MoKα","","0.1084","0.0638","","","0.1433","0.1668","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514744","6.039","0.005","27.449","0.018","11.299","0.008","90","","104.404","0.013","90","","1814","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 O2 -","- C22 H19 F3 O2 -","- C88 H76 F12 O8 -","4","2","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","1.54178","CuKα","","0.1492","0.1131","","","0.2972","0.3357","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514745","7.934","0.002","10.719","0.003","18.419","0.005","90","","90","","90","","1566.4","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 S -","- C19 H20 N2 S -","- C76 H80 N8 S4 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0482","","","","0.1333","","","","","","0.661","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514746","19.358","0.01","9.419","0.005","8.186","0.004","90","","90.979","0.016","90","","1492.4","1.3","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H17 F3 O2 -","- C18 H17 F3 O2 -","- C72 H68 F12 O8 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0584","","","","0.1899","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514747","8.3666","0.0009","10.8236","0.0011","17.2119","0.0018","84.42","0.006","79.713","0.005","75.288","0.006","1481.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","HP.BPE-m-dichlorobenzene","1-(2,4,6-Trihydroxyphenyl)heptan-1-one trans-1,2-bis(4-pyridyl)ethene 1,3-dichlorobenzene","","- C31 H32 Cl2 N2 O4 -","- C31 H32 Cl2 N2 O4 -","- C62 H64 Cl4 N4 O8 -","2","1","","Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R.","From co-crystals to functional thin films: photolithography using [2+2] photodimerization","Chemical Science","2013","4","11","4304","","10.1039/c3sc51073e","","","0.71073","MoKα","","0.1585","0.0857","","","0.2737","0.3185","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514748","32.0273","0.0003","32.0273","0.0003","29.1427","0.0007","90","","90","","120","","25888.2","0.7","123","2","123","2","","","","","","","","6","P 6 2 2","P 6 2","177","","","","- C160 H178 Cd3 N14 O27 Ti4 -","- C159.99 H171.99 Cd3 N14.01 O27 Ti4 -","- C639.96 H687.96 Cd12 N56.04 O108 Ti16 -","4","0.333333","","Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong","A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation","Chemical Science","2013","4","8","3154","","10.1039/c3sc50487e","","","1.54178","CuKα","","0.1267","0.0966","","","0.2253","0.2452","","","","","","1.155","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514749","9.4797","0.0006","45.49","0.003","21.7415","0.0013","90","","92.764","0.003","90","","9364.7","1","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B2 O3 -","- C24 H16 B2 O3 -","- C480 H320 B40 O60 -","20","5","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0721","0.0595","","","0.1509","0.1593","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514750","10.6981","0.0004","14.3379","0.0007","26.3743","0.0011","90","","90","","90","","4045.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 B2 N2 O -","- C26 H22 B2 N2 O -","- C208 H176 B16 N16 O8 -","8","1","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0595","0.0445","","","0.1119","0.1211","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514752","13.583","0.004","15.995","0.005","16.961","0.005","110.618","0.007","111.892","0.006","93.2","0.006","3125.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H97 N O6 S Si9 -","- C47 H97 N O6 S Si9 -","- C94 H194 N2 O12 S2 Si18 -","2","1","","Brady, Patrick B.; Albert, Brian J.; Akakura, Matsujiro; Yamamoto, Hisashi","Controlling stereochemistry in polyketide synthesis: 1,3- vs. 1,2-asymmetric induction in methyl ketone aldol additions to β-super siloxy aldehydes","Chemical Science","2013","4","8","3223","","10.1039/c3sc51183a","","","0.71073","MoKα","","0.162","0.0691","","","0.1018","0.121","","","","","","0.726","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514754","17.564","0.004","25.629","0.005","20.8","0.004","90","","90","","90","","9363","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H115.5 Co3 N8.5 O34.5 -","- C57 H31 Co3 N O15 -","- C228 H124 Co12 N4 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.2561","0.1113","","","0.2894","0.3548","","","","","","0.982","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514755","17.5608","0.001","25.3474","0.0017","20.8804","0.0019","90","","90","","90","","9294.3","1.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H109.5 Co3 N8.5 O31.5 -","- C54 H30 Co3 O15 -","- C216 H120 Co12 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1882","0.1157","","","0.2997","0.3412","","","","","","0.922","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514756","17.446","0.004","27.758","0.006","18.762","0.004","90","","90","","90","","9086","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C78 H106 Co3 N8 O31 -","- C57 H31 Co3 N O16 -","- C228 H124 Co12 N4 O64 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1485","0.0917","","","0.2542","0.2809","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514757","27.2496","0.0001","27.2496","0.0001","27.2496","0.0001","90","","90","","90","","20233.9","0.13","173","2","173","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C122 H178 Co6 N14 O46 -","- C72 H40 Co6 O26 -","- C432 H240 Co36 O156 -","6","0.125","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","1.54178","CuKα","","0.1667","0.1274","","","0.322","0.352","","","","","","1.591","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514759","7.7537","0.0002","8.7833","0.0003","28.0793","0.001","90","","90","","90","","1912.29","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 I2 O2 -","- C18 H18 I2 O2 -","- C72 H72 I8 O8 -","4","1","","Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether‒transition metal‒Brønsted acid cooperative catalysis","Chemical Science","2013","4","8","3198","","10.1039/c3sc51027a","","","0.71073","MoKα","","0.0235","0.0204","","","0.0485","0.0659","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514762","19.3718","0.0002","20.1092","0.0002","21.506","0.0002","90","","93.7932","0.0003","90","","8359.34","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","((Bicyclo[2.2.1]hepta-2,5-diene)((rac)-bis-2,2'-(diphenylphosphino)-1,1' -binaphthalene)rhodium)((rac)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C95 H74 B Cl6 O4 P2 Rh -","- C95 H74 B Cl6 O4 P2 Rh -","- C380 H296 B4 Cl24 O16 P8 Rh4 -","4","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.0703","0.0514","","0.1458","0.1331","0.1456","","","","","","0.9999","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514763","15.7224","0.0003","20.2138","0.0004","25.7426","0.0006","90","","90","","90","","8181.2","0.3","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1' -binaphthalene)rhodium)((S,S)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C98 H80 B Cl6 O5 P2 Rh -","- C98 H80 B Cl6 O5 P2 Rh -","- C392 H320 B4 Cl24 O20 P8 Rh4 -","4","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.1012","0.055","","0.104","0.0578","0.0578","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514764","11.8286","0.0002","25.5279","0.0004","14.3047","0.0002","90","","111.974","0.0008","90","","4005.65","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 1 21 1","P 2yb","4","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1'-binaphthalene)rhodium) ((R,R)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C96 H76 B Cl8 O4 P2 Rh -","- C96 H76 B Cl8 O4 P2 Rh -","- C192 H152 B2 Cl16 O8 P4 Rh2 -","2","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.0751","0.0432","","0.0814","0.0464","0.0464","","","","","","1.1097","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514765","16.179","0.007","17.461","0.008","32.012","0.015","90","","95.835","0.006","90","","8997","7","100","","100","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C200 H256 Si8 -","- C176 H200 Si8 -","- C352 H400 Si16 -","2","0.5","","Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki","Bottom-up synthesis and structures of π-lengthened tubular macrocycles","Chemical Science","2013","4","8","3179","","10.1039/c3sc50645b","","","0.71073","MoKα","","0.1715","0.1535","","","0.4279","0.4429","","","","","","1.929","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514766","22.0395","0.0005","16.0165","0.0004","39.3819","0.0007","90","","90","","90","","13901.6","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C58 H76.5 Br6 Dy N9 O13.25 Zn2 -","- C464 H612 Br48 Dy8 N72 O106 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1014","0.0821","","","0.2161","0.2339","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514767","20.5186","0.0014","16.4699","0.0011","37.585","0.003","90","","90","","90","","12701.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C432 H496 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1746","0.0725","","","0.1359","0.1736","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514768","21.893","0.0015","15.9613","0.0015","39.306","0.003","90","","90","","90","","13735.1","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C55 H64 Br6 Dy N9 O10 Zn2 -","- C440 H512 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.183","0.0924","","","0.2242","0.2621","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514769","10.5882","0.0011","16.8592","0.0017","20.8","0.002","74.883","0.001","79.955","0.001","76.103","0.001","3454.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Ag2 F3 N4 O6 S -","- C67 H93 Ag2 F3 N4 O6 S -","- C134 H186 Ag4 F6 N8 O12 S2 -","2","1","","Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.","A dinuclear silver hydride and an umpolung reaction of CO2","Chemical Science","2013","4","8","3068","","10.1039/c3sc50896j","","","0.71073","MoKα","","0.0859","0.0514","","","0.1206","0.1399","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514770","14.8245","0.0014","23.508","0.002","19.9054","0.0019","90","","110.118","0.001","90","","6513.7","1","173.2","","173.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H93 Ag2 F3 N4 O5 S -","- C63 H93 Ag2 F3 N4 O5 S -","- C252 H372 Ag8 F12 N16 O20 S4 -","4","1","","Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.","A dinuclear silver hydride and an umpolung reaction of CO2","Chemical Science","2013","4","8","3068","","10.1039/c3sc50896j","","","0.71073","MoKα","","0.0854","0.0502","","","0.1214","0.1406","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514771","11.445","0.002","12.104","0.002","17.978","0.004","77.35","0.03","76.4","0.03","65.63","0.03","2184","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 F6 N4 O8 S2 -","- C44 H30 F6 N4 O6 S2 -","- C88 H60 F12 N8 O12 S4 -","2","1","","Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core","Chemical Science","2013","4","8","3288","","10.1039/c3sc51091c","","","0.71073","MoKα","","0.1603","0.1054","","","0.2949","0.3367","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514772","9.6569","0.0019","10.14","0.002","18.898","0.005","90","","118.42","0.02","90","","1627.5","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N4 S2 -","- C40 H28 N4 S2 -","- C80 H56 N8 S4 -","2","0.5","","Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core","Chemical Science","2013","4","8","3288","","10.1039/c3sc51091c","","","0.71073","MoKα","","0.0597","0.0401","","","0.0913","0.1","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514773","11.6522","0.0013","5.4552","0.0006","11.4821","0.0012","90","","90.607","0.002","90","","729.82","0.14","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","zethrene","Dibenzo[de,mn]naphthacene","","- C24 H14 -","- C24 H14 -","- C48 H28 -","2","0.5","","Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian","Revisiting zethrene: synthesis, reactivity and semiconductor properties","Chemical Science","2013","4","8","3294","","10.1039/c3sc51158h","","","0.71073","MoKα","","0.0801","0.069","","","0.1846","0.2106","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514774","21.545","0.003","23.046","0.003","23.372","0.003","94.535","0.001","115.193","0.001","115.679","0.001","8956","2","123","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C216 H289 Cl2 Gd36 N51 O193 -","- C216 H144 Cl2 Gd36 N51 O193 -","- C216 H144 Cl2 Gd36 N51 O193 -","1","0.5","","Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun","Two polymeric 36-metal pure lanthanide nanosize clusters","Chemical Science","2013","4","8","3104","","10.1039/c3sc50887k","","","0.71073","MoKα","","0.0488","0.04","","","0.1371","0.1477","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514775","21.545","0.004","22.886","0.005","23.17","0.004","94.32","","115.373","0.002","115.639","0.001","8817","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C216 H289 Cl2 Dy36 N51 O193 -","- C216 H142 Cl2 Dy36 N51 O193 -","- C216 H142 Cl2 Dy36 N51 O193 -","1","0.5","","Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun","Two polymeric 36-metal pure lanthanide nanosize clusters","Chemical Science","2013","4","8","3104","","10.1039/c3sc50887k","","","0.71073","MoKα","","0.0548","0.0422","","","0.1232","0.169","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514780","11.106","0.002","16.93","0.003","22","0.004","90","","91.61","0.03","90","","4134.9","1.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F9 La N9 O10 P S4 -","- C28 H32 F9 La N9 O10 P S4 -","- C112 H128 F36 La4 N36 O40 P4 S16 -","4","1","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.1073","0.0555","","","0.0924","0.1109","","","","","","0.946","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514781","9.764","0.002","19.857","0.004","22.899","0.005","90","","97.37","0.03","90","","4403.1","1.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 F18 N19 O19 P2 S8 Sm2 -","- C54 H61 F18 N19 O19 P2 S8 Sm2 -","- C108 H122 F36 N38 O38 P4 S16 Sm4 -","2","0.5","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.0945","0.0601","","","0.1423","0.1644","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514782","13.2866","0.0004","13.3751","0.0005","13.849","0.0005","83.93","","70.156","0.001","80.123","0.001","2277.65","0.14","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3- distannabicylo[1.1.1]pentan)ethyne","","- C30 H33 F9 N12 O9 P Pu S4 -","- C30 H33 F9 N12 O9 P Pu S4 -","- C60 H66 F18 N24 O18 P2 Pu2 S8 -","2","1","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.0203","0.0193","","","0.0487","0.0493","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514783","14.9461","0.0004","7.3243","0.0002","15.6793","0.0004","90","","112.463","0.002","90","","1586.18","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 Ni -","- C17 H20 N4 Ni -","- C68 H80 N16 Ni4 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0422","0.032","","","0.0876","0.0939","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514784","10.076","0.0007","10.6657","0.0007","19.6623","0.0014","90.05","0.003","97.94","0.003","105.384","0.003","2016.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F6 N8 Ni2 O6 S2 -","- C36 H40 F6 N8 Ni2 O6 S2 -","- C72 H80 F12 N16 Ni4 O12 S4 -","2","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0385","0.028","","","0.0676","0.0733","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514785","10.5982","0.0008","12.3634","0.0008","19.8165","0.0013","90","","95.155","0.003","90","","2586","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 K N4 Ni O2 -","- C25 H36 K N4 Ni O2 -","- C100 H144 K4 N16 Ni4 O8 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0511","0.0355","","","0.0864","0.0952","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514786","9.223","0.0004","23.7522","0.0008","15.2139","0.0006","90","","107.35","0.001","90","","3181.2","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H29 F12 N7 Ni P2 -","- C23 H29 F12 N7 Ni P2 -","- C92 H116 F48 N28 Ni4 P8 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0303","0.0282","","","0.0781","0.0796","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514787","12.7277","0.0011","21","0.002","28.837","0.003","90","","99.126","0.004","90","","7610","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 K N6 Ni O6 -","- C35 H56 K N6 Ni O6 -","- C280 H448 K8 N48 Ni8 O48 -","8","2","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.1258","0.0695","","","0.1682","0.2094","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514788","34.46","0.007","10.852","0.005","23.144","0.004","90","","100.903","0.004","90","","8499","5","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H106 K2 N12 Ni O12 -","- C70 H106 K2 N12 Ni O12 -","- C280 H424 K8 N48 Ni4 O48 -","4","0.5","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0676","0.0413","","","0.0942","0.1028","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514789","9.7242","0.0001","17.6641","0.0002","25.6425","0.0002","90","","90","","90","","4404.59","0.08","173","0.14","173","0.14","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","1","","Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics","Chemical Science","2013","4","9","3725","","10.1039/c3sc50648g","","x-ray","1.5418","CuKα","","0.0355","0.032","","","0.0835","0.0865","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514790","9.1485","0.0006","13.8946","0.0008","10.4647","0.0007","90","","102.948","0.006","90","","1296.4","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.065","0.0419","","","0.0902","0.1042","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514791","23.247","0.0016","9.9836","0.0007","16.0069","0.0011","90","","90.649","0.006","90","","3714.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H18.5 Cl2.5 N O -","- C19.5 H18.5 Cl2.5 N O -","- C156 H148 Cl20 N8 O8 -","8","2","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1281","0.0757","","","0.2056","0.2495","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514792","9.7761","0.0009","14.7382","0.001","24.0669","0.0016","90","","90","","90","","3467.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl3 N O2 -","- C16 H14 Cl3 N O2 -","- C128 H112 Cl24 N8 O16 -","8","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1182","0.0901","","","0.2524","0.2826","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514793","6.4122","0.0019","12.077","0.004","16.676","0.005","90","","90","","90","","1291.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro","One-shot indole-to-carbazole π-extension by a Pd‒Cu‒Ag trimetallic system","Chemical Science","2013","4","9","3416","","10.1039/c3sc51447a","","","0.7107","MoKα","","0.0538","0.0477","","","0.0909","0.0942","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514794","8.906","0.0009","17.7086","0.0017","17.021","0.0017","90","","91.073","0.004","90","","2684","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H28.5 Cl1.5 N4 O6 Ru -","- C24.5 H28.5 Cl1.5 N4 O6 Ru -","- C98 H114 Cl6 N16 O24 Ru4 -","4","1","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.044","0.0382","","","0.1007","0.104","","","","","","1.215","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514795","23.297","0.002","12.4626","0.0012","25.803","0.003","90","","115.977","0.004","90","","6734.8","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 Cl3 N4 O6 Ru -","- C34 H31 Cl3 N4 O6 Ru -","- C272 H248 Cl24 N32 O48 Ru8 -","8","1","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.0411","0.0296","","","0.0717","0.0793","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514796","9.1898","0.0003","11.3905","0.0004","16.2931","0.0006","78.018","0.003","82.142","0.003","76.846","0.003","1617.39","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Cl4 Co2 N8 O21 -","- C66 H58 Cl4 Co2 N8 O21 -","- C66 H58 Cl4 Co2 N8 O21 -","1","0.5","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.058","0.0489","","","0.121","0.1268","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514797","7.6678","0.001","13.5683","0.0018","14.958","0.002","90","","90","","90","","1556.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","toste70","toste70","","- C14 H17 Br N2 O4 S -","- C14 H17 Br N2 O4 S -","- C56 H68 Br4 N8 O16 S4 -","4","1","","Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean","Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes","Chemical Science","2013","4","9","3427","","10.1039/c3sc50811k","","","1.54178","CuKα","","0.0159","0.0159","","","0.0411","0.0411","","","","","","1.183","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514798","9.876","0.002","9.295","0.0019","22.594","0.006","90","","106.8","0.03","90","","1985.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cu N5 O4 -","- C21 H18 Cu N5 O4 -","- C84 H72 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.1471","0.0938","","","0.193","0.2174","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514799","9.399","0.0019","9.848","0.002","21.834","0.004","90","","102.09","0.03","90","","1976.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N5 O4 -","- C20 H16 Cu N5 O4 -","- C80 H64 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.1686","0.0962","","","0.2284","0.2701","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514800","9.93","0.002","9.3445","0.0019","22.717","0.006","90","","106.94","0.03","90","","2016.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cu N5 O4 -","- C21 H18 Cu N5 O4 -","- C84 H72 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.2335","0.1033","","","0.2001","0.2574","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514801","9.3736","0.001","15.178","0.0011","10.1053","0.0009","90","","107.302","0.004","90","","1372.7","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl3 N O6 Pd S -","- C24 H28 Cl3 N O6 Pd S -","- C48 H56 Cl6 N2 O12 Pd2 S2 -","2","1","","Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro","Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts","Chemical Science","2013","4","9","3753","","10.1039/c3sc51206a","","","0.7107","MoKα","","0.0289","0.0261","","","0.0686","0.0696","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514802","10.0198","0.0003","11.1462","0.0003","19.6789","0.0005","85.018","0.001","79.607","0.002","74.258","0.001","2078.99","0.1","135","","135","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 N3 P3 V -","- C45 H51 N3 P3 V -","- C90 H102 N6 P6 V2 -","2","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0442","0.0322","","0.0834","0.0754","0.0834","","","","","","0.9947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514803","10.7003","0.0003","22.3479","0.0005","22.519","0.0005","62.001","0.001","81.313","0.001","88.637","0.001","4693.3","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H57 Fe I N3 O0.75 P3 V -","- C48 H57 Fe I N3 O0.75 P3 V -","- C192 H228 Fe4 I4 N12 O3 P12 V4 -","4","2","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.055","0.0364","","0.0802","0.0756","0.0802","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514804","16.3841","0.0005","16.3841","0.0005","22.8729","0.0009","90","","90","","120","","5317.4","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Fe N3 P4 V -","- C48 H60 Fe N3 P4 V -","- C192 H240 Fe4 N12 P16 V4 -","4","0.333333","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0446","0.0324","","0.0993","0.0871","0.0993","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514805","13.0944","0.0003","14.5742","0.0004","28.469","0.0008","90","","95.9356","0.0014","90","","5403.9","0.2","135","","135","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Fe N4 P4 V -","- C60 H69 Fe N4 P4 V -","- C240 H276 Fe4 N16 P16 V4 -","4","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0859","0.0487","","0.1004","0.0915","0.1004","","","","","","0.9637","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514806","10.7611","0.0003","22.0867","0.0006","22.4678","0.0007","63.268","0.001","80.585","0.002","85.642","0.002","4705.1","0.2","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C48 H57 F Fe I N3 O0.75 P3 V -","- C48 H57 F Fe I N3 O0.75 P3 V -","- C192 H228 F4 Fe4 I4 N12 O3 P12 V4 -","4","2","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0538","0.0356","","0.0745","0.0694","0.0745","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514807","8.0672","0.0011","13.6398","0.0012","12.88","0.002","90","","100.756","0.013","90","","1392.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N4 Ni -","- C10 H20 Cl2 N4 Ni -","- C40 H80 Cl8 N16 Ni4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0373","0.031","","","0.0813","0.0847","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514808","7.768","0.002","12.985","0.003","19.423","0.004","90","","90","","90","","1959.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N2 P -","- C6 H13 Cl2 N2 P -","- C48 H104 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0358","0.0316","","","0.0845","0.0879","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514809","19.24","0.003","11.531","0.003","15.038","0.003","90","","128.66","0.03","90","","2605.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cl2 N2 P -","- C11 H15 Cl2 N2 P -","- C88 H120 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0348","0.0305","","","0.0975","0.1014","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514810","11.4381","0.001","7.717","0.0007","12.979","0.0011","90","","122.697","0.006","90","","964.09","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Cl3 N2 P -","- C5 H10 Cl3 N2 P -","- C20 H40 Cl12 N8 P4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0336","0.0309","","","0.0854","0.0869","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514811","8.9858","0.0004","12.0174","0.0006","13.4315","0.0007","90","","104.706","0.003","90","","1402.9","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N4 Pd -","- C10 H20 Cl2 N4 Pd -","- C40 H80 Cl8 N16 Pd4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0297","0.026","","","0.0749","0.0773","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514812","7.375","0.003","7.56","0.002","8.6846","0.0015","74.688","0.016","76.04","0.02","62.6","0.02","410.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 F4 N2 P -","- C5 H11 F4 N2 P -","- C10 H22 F8 N4 P2 -","2","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0556","0.0537","","","0.1506","0.1532","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514813","12.8424","0.0006","12.65","0.0006","13.2356","0.0006","90","","90","","90","","2150.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10 Cl4 N2 Si -","- C5 H10 Cl4 N2 Si -","- C40 H80 Cl32 N16 Si8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0427","0.0288","","","0.0715","0.0819","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514814","7.1257","0.0006","9.7812","0.0009","14.6087","0.0013","74.587","0.001","81.231","0.001","70.49","0.001","922.94","0.14","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 Fe -","- C26 H18 Fe -","- C52 H36 Fe2 -","2","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","0.71073","MoKα","","0.0363","0.0309","","","0.0786","0.0821","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514815","11.3194","0.0006","5.7682","0.0003","14.8959","0.0008","90","","94.364","0.004","90","","969.77","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 Fe N3 -","- C25 H21 Fe N3 -","- C50 H42 Fe2 N6 -","2","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","1.54178","CuKα","","0.0829","0.0666","","","0.1815","0.1999","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514816","21.166","0.004","9.936","0.0017","8.1878","0.0014","90","","92.968","0.003","90","","1719.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C96 H72 Fe4 -","4","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","0.71073","MoKα","","0.0718","0.0409","","","0.0813","0.0941","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514817","20.7703","0.0018","20.6316","0.0019","23.952","0.002","90","","102.233","0.002","90","","10031","1.5","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C576 H384 O64 -","32","8","","Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong","Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones","Chemical Science","2013","4","1","526","","10.1039/c2sc21335d","","","0.71073","MoKα","","0.1423","0.0615","","","0.1264","0.1627","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514818","7.3309","0.0002","16.9368","0.0005","12.1796","0.0004","90","","95.441","0.001","90","","1505.43","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(MedoenH)]ClO4","","","- C10 H17 Cl N4 Ni O6 -","- C10 H17 Cl N4 Ni O6 -","- C40 H68 Cl4 N16 Ni4 O24 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0632","0.0386","","","0.0808","0.0907","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514819","11.5005","0.0004","20.8961","0.0007","14.2514","0.0004","90","","109.637","0.001","90","","3225.65","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(Medoen)Zn(Me3TACN)(MeCN)](ClO4)2","","","- C22 H40 Cl2 N8.5 Ni O10 Zn -","- C21.982 H40 Cl2 N8.491 Ni O10 Zn -","- C87.928 H160 Cl8 N33.964 Ni4 O40 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0955","0.0564","","","0.1403","0.1662","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514820","11.5533","0.0005","22.0368","0.0008","12.9726","0.0005","90","","104.81","0.002","90","","3193.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(Medopn)Zn(Me3TACN)(MeCN)](ClO4)2","","","- C22 H42 Cl2 N8 Ni O10 Zn -","- C22 H42 Cl2 N8 Ni O10 Zn -","- C88 H168 Cl8 N32 Ni4 O40 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.09","0.0686","","","0.1802","0.1924","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514821","18.853","0.004","18.337","0.004","16.409","0.003","90","","90.05","0.03","90","","5673","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(OAc)Ni(Medoen)Zn(Me3TACN)]ClO4","","","- C21 H40 Cl N7 Ni O8 Zn -","- C21 H37.096 Cl N7 Ni O8.1 Zn -","- C168 H296.768 Cl8 N56 Ni8 O64.8 Zn8 -","8","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0711","0.0474","","","0.0998","0.1142","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514822","8.5274","0.0004","12.4106","0.0005","13.0776","0.0005","98.754","0.001","96.004","0.001","90.074","0.002","1360.17","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","[(NO2)Ni(Medoen)Zn(Me3TACN)]ClO4","","","- C19 H37 Cl N8 Ni O8 Zn -","- C19 H37 Cl N8 Ni O8 Zn -","- C38 H74 Cl2 N16 Ni2 O16 Zn2 -","2","2","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0687","0.0493","","","0.1084","0.1169","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514823","11.7327","0.0007","15.5512","0.0009","17.9328","0.001","67.784","0.003","71.146","0.003","77.96","0.003","2852.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ni(TMFdoen)Zn(Me3TACN)(MeCN)](ClO4)(BPh4)","","","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","1","0.5","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0645","0.0326","","","0.0782","0.083","","","","","","0.908","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514824","11.9784","0.0008","19.7901","0.0014","26.294","0.0018","104.912","0.004","91.396","0.004","98.3","0.004","5947.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Ni(TMFdoen)Zn(Me3TACN)(THF)]BPh4","","","- C61 H89 B N7 Ni O6.5 Zn -","- C61 H89 B N7 Ni O6.5 Zn -","- C244 H356 B4 N28 Ni4 O26 Zn4 -","4","2","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1235","0.0552","","","0.1179","0.1432","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514825","21.7065","0.0012","13.6234","0.0007","24.045","0.0012","90","","90.533","0.003","90","","7110.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(PPh3)Ni(TMFdoen)Zn(Me3TACN)]BPh4","","","- C77 H100 B N7 Ni O6 P Zn -","- C77 H100 B N7 Ni O6 P Zn -","- C308 H400 B4 N28 Ni4 O24 P4 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1249","0.0568","","","0.1198","0.1422","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514826","17.2117","0.0013","12.9449","0.001","24.7109","0.0017","90","","101.43","0.003","90","","5396.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex13","","","- C55 H74 B N7 Ni O5 Zn -","- C55 H71 B N7 Ni O5 Zn -","- C220 H284 B4 N28 Ni4 O20 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1534","0.0719","","","0.1579","0.1929","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514827","14.1445","0.0018","14.338","0.002","16.719","0.003","86.271","0.008","81.687","0.008","61.358","0.005","2944.5","0.8","100","2","100","2","","","","","","","Stephen Moore","4","P -1","-P 1","2","","","","- C57 H72 N14 O15 -","- C57 H72 N14 O15 -","- C114 H144 N28 O30 -","2","1","","Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas","Chemical Science","2013","4","1","103","","10.1039/c2sc21112b","","","0.71075","MoKα","","0.078","0.0618","","","0.1432","0.1535","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514828","23.898","0.003","15.593","0.002","23.95","0.003","90","","109.468","0.002","90","","8414.5","1.8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((CF3PY5Me2)Co(NCCH3))(CF3SO3)2","","","- C38 H33 Co F9 N8 O6 S2 -","- C38 H33 Co F9 N8 O6 S2 -","- C304 H264 Co8 F72 N64 O48 S16 -","8","1","","Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J.","Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers","Chemical Science","2013","4","1","118","","10.1039/c2sc21163g","","","0.71073","MoKα","","0.065","0.0542","","","0.1519","0.1627","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514830","7.151","0.0008","29.386","0.003","9.6851","0.001","90","","100.773","0.002","90","","1999.4","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Fe O4 Si -","- C20 H18 Fe O4 Si -","- C80 H72 Fe4 O16 Si4 -","4","2","","Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun","Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle","Chemical Science","2013","4","1","238","","10.1039/c2sc21404k","","","0.71073","MoKα","","0.0443","0.0358","","0.091","0.0852","0.091","","","","","","0.9951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514831","12.129","0.003","8.192","0.002","26.318","0.006","90","","102.587","0.005","90","","2552.1","1.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 O2 Si2 -","- C25 H38 O2 Si2 -","- C100 H152 O8 Si8 -","4","1","","Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun","Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle","Chemical Science","2013","4","1","238","","10.1039/c2sc21404k","","","0.71073","MoKα","","0.0934","0.0491","","0.1221","0.1064","0.1221","","","","","","0.9997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514832","8.8101","0.0005","9.1759","0.0005","11.1624","0.0006","102.467","0.001","92.503","0.001","113.932","0.001","796.59","0.08","95","1","95","1","","","","","","","","5","P -1","-P 1","2","[Fe(N(H)(SiMe3)(Dipp))2]","","","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","1","0.5","","Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.","Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes","Chemical Science","2013","4","1","125","","10.1039/c2sc20801f","","","0.71073","MoKα","","0.0376","0.0345","","","0.1035","0.1065","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514833","10.8937","0.0018","20.234","0.003","11.2231","0.0019","90","","90.829","0.003","90","","2473.6","0.7","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Fe0.93 N2 -","- C60 H76 Fe0.93 N2 -","- C120 H152 Fe1.86 N4 -","2","0.5","","Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.","Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes","Chemical Science","2013","4","1","125","","10.1039/c2sc20801f","","","0.71073","MoKα","","0.0449","0.0338","","","0.08","0.0857","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514834","13.9562","0.0009","23.5904","0.0015","23.5858","0.0015","90","","90","","90","","7765.2","0.9","123","2","123","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C18.87 H19.16 N2 O2 Zn -","- C18.867 H19.156 N2 O2 Zn -","- C301.872 H306.496 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.088","0.0734","","","0.192","0.2058","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514835","13.9249","0.0012","23.653","0.002","23.637","0.002","90","","90","","90","","7785.2","1.1","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 N2 O2 Zn -","- C12 H10 N2 O2 Zn -","- C192 H160 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.0675","0.0538","","","0.1381","0.1505","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514836","11.83","0.0003","11.9725","0.0003","12.3591","0.0004","65.098","0.002","69.838","0.002","65.309","0.002","1411.99","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","beta-(Au2(dppe)2I2).2acetone (green emission)","","","- C58 H60 Au2 I2 O2 P4 -","- C58 H60 Au2 I2 O2 P4 -","- C58 H60 Au2 I2 O2 P4 -","1","0.5","","Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L.","Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes","Chemical Science","2013","4","1","311","","10.1039/c2sc20820b","","","0.71073","MoKα","","0.0216","0.0185","","","0.04","0.0408","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514837","12.2859","0.0011","20.3988","0.0017","17.3454","0.0015","90","","99.232","0.002","90","","4290.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H62 N3 Ni -","- C51 H62 N3 Ni -","- C204 H248 N12 Ni4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.085","0.0516","","","0.0984","0.1064","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514838","21.2763","0.0015","10.7269","0.0007","24.4104","0.0017","90","","97.053","0.001","90","","5529","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 Cl4 N3 Ni -","- C59 H78 Cl4 N3 Ni -","- C236 H312 Cl16 N12 Ni4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0809","0.0631","","","0.1623","0.1733","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514839","12.9077","0.0017","34.624","0.004","19.65","0.003","90","","107.756","0.002","90","","8363.6","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H84 B F24 N3 Ni O -","- C87 H84 B F24 N3 Ni O -","- C348 H336 B4 F96 N12 Ni4 O4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.1426","0.0889","","","0.2231","0.2497","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514840","14.7621","0.0015","16.7885","0.0017","21.465","0.002","102.291","0.002","106.901","0.002","105.812","0.002","4644.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C197 H204 B2 F48 N6 Ni2 O4 -","- C197 H204 B2 F48 N6 Ni2 O4 -","- C197 H204 B2 F48 N6 Ni2 O4 -","1","0.5","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0807","0.0601","","","0.154","0.1626","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514841","12.7476","0.0012","20.1891","0.0019","33.921","0.003","90","","90.696","0.002","90","","8729.4","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H96 B F24 N3 Ni O -","- C93 H96 B F24 N3 Ni O -","- C372 H384 B4 F96 N12 Ni4 O4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0884","0.0541","","","0.1104","0.1196","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514842","9.4942","0.0004","29.0008","0.0013","11.5368","0.0005","90","","90.018","0.002","90","","3176.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 B F15 O2 P S -","- C30 H27 B F15 O2 P S -","- C120 H108 B4 F60 O8 P4 S4 -","4","1","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","0.71073","MoKα","","0.0435","0.0341","","","0.0703","0.0726","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514843","13.2898","0.0003","13.3521","0.0006","22.579","0.0009","73.392","0.003","73.073","0.003","83.328","0.004","3670.7","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 B F10 O2 P S -","- C33 H28 B F10 O2 P S -","- C132 H112 B4 F40 O8 P4 S4 -","4","2","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","1.54178","CuKα","","0.0568","0.0496","","","0.1402","0.1456","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514844","10.5993","0.0004","11.865","0.0004","14.4165","0.0009","92.7","0.003","95.322","0.002","111.03","0.004","1678.66","0.14","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 B F10 O2 P S -","- C36 H32 B F10 O2 P S -","- C72 H64 B2 F20 O4 P2 S2 -","2","1","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","1.54178","CuKα","","0.0534","0.0439","","","0.1092","0.116","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514845","20.411","0.003","20.411","0.003","40.34","0.005","90","","90","","120","","14554","4","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C76 H162 Cu6 N12 O88.66 V30 -","- C76 Cu6 N12 O88.5 V30 -","- C228 Cu18 N36 O265.5 V90 -","3","0.5","","Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten","Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters","Chemical Science","2013","4","1","418","","10.1039/c2sc20942j","","","0.71073","MoKα","","0.0618","0.0479","","","0.1169","0.1222","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514846","9.4145","0.0019","11.119","0.002","13.183","0.002","67.27","0.03","77.71","0.02","89.25","0.03","1240","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H30 N2 O12 S5 V -","- C10 H30 N2 O12 S5 V -","- C20 H60 N4 O24 S10 V2 -","2","1","","Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten","Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters","Chemical Science","2013","4","1","418","","10.1039/c2sc20942j","","x-ray","0.71073","MoKα","","0.0318","0.0276","","","0.0701","0.0721","","","","","","1.144","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514849","8.4525","0.0004","15.486","0.001","46.184","0.003","90","","90","","90","","6045.3","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C196 H264 Cl8 N32 O64 Pd16 S16 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","x-ray","0.7107","MoKα","","0.1042","0.0713","","","0.1441","0.1588","","","","","","1.065","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1514850","9.8306","0.0005","17.0929","0.0008","24.3215","0.0012","90","","90","","90","","4086.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C152 H192 N16 O48 S8 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","","1.54178","CuKα","","0.0753","0.0546","","","0.1401","0.1548","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514851","13.258","0.0009","20.3837","0.0018","26.4826","0.0017","85.599","0.006","81.344","0.005","81.232","0.006","6982","0.9","100","","100","","","","","","","","synthesised","5","P -1","-P 1","2","","","","- C106 H115 Cl N8 O11 -","- C106 H115 Cl N8 O11 -","- C212 H230 Cl2 N16 O22 -","2","1","","Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel","Lanthanide appended rotaxanes respond to changing chloride concentration","Chemical Science","2013","4","1","489","","10.1039/c2sc21614k","","","0.6889","synchrotron","","0.1601","0.1334","","0.3902","0.3575","0.3902","","","","","","1.16","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514852","18.0616","0.0002","14.969","0.0002","18.2262","0.0003","90","","108.69","0.0008","90","","4667.84","0.11","150","","150","","","","105","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C70 H126 Lu4 N16 Na4 O43 -","- C70 H126 Lu4 N16 Na4 O43 -","- C140 H252 Lu8 N32 Na8 O86 -","2","0.5","","Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel","Lanthanide appended rotaxanes respond to changing chloride concentration","Chemical Science","2013","4","1","489","","10.1039/c2sc21614k","","","0.71073","MoKα","","0.0723","0.0641","","0.1746","0.168","0.1745","","","","","","0.9954","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514853","6.06","0.0006","12.255","0.0007","19.535","0.0009","79.509","0.004","81.926","0.006","76.549","0.005","1380.07","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","TTFesterdimer","","","- C26 H16 O5 S8 -","- C26 H16 O5 S8 -","- C52 H32 O10 S16 -","2","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Duarte, M. Teresa; Veciana, Jaume; Rovira, Concepció","Intramolecular electron transfer in the photodimerisation product of a tetrathiafulvalene derivative in solution and on a surface","Chemical Science","2013","4","1","307","","10.1039/c2sc21134c","","","0.71069","MoKα","","0.3373","0.1673","","","0.4192","0.4702","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514934","29.9106","0.0003","29.9106","0.0003","5.9714","0.0001","90","","90","","120","","4626.55","0.1","143.3","","143","","","","","","","","","2","P 32","P 32","145","","","","- C28 H24 -","- C28 H24 -","- C252 H216 -","9","3","","Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process?","Chemical Science","2012","3","2","493","","10.1039/c1sc00690h","","x-ray","0.7107","MoKα","","0.0544","0.0538","","","0.1339","0.1342","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514935","8.24","0.005","9.982","0.005","16.64","0.005","82.977","0.005","83.088","0.005","73.325","0.005","1296","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Fe N5 O -","- C13 H14 Fe N5 O -","- C52 H56 Fe4 N20 O4 -","4","2","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0786","0.0822","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514936","10.445","0.005","11.723","0.005","11.03","0.005","90","0.005","100.177","0.005","90","0.005","1329.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Co N5 O -","- C13 H14 Co N5 O -","- C52 H56 Co4 N20 O4 -","4","1","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0254","0.0243","","","0.0756","0.0763","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514937","11.805","0.002","12.98","0.002","19.363","0.004","73.794","0.003","86.132","0.003","75.907","0.003","2763.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0733","0.0455","","","0.0983","0.1097","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514938","11.839","0.004","13.026","0.005","19.436","0.007","73.818","0.006","86.197","0.007","75.893","0.007","2791.8","1.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0678","0.0454","","","0.108","0.1188","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514939","11.8394","0.0018","13.037","0.002","19.508","0.003","73.852","0.003","86.214","0.003","75.811","0.003","2804","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0568","0.0381","","","0.0902","0.1007","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514940","11.888","0.003","13.106","0.003","19.649","0.004","73.904","0.004","86.251","0.004","75.708","0.004","2850.3","1.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0597","0.0401","","","0.0993","0.1117","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514941","11.881","0.003","13.093","0.004","19.706","0.006","73.971","0.005","86.265","0.005","75.654","0.005","2854.4","1.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0691","0.0428","","","0.107","0.1229","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514942","21.1077","0.0018","15.5695","0.0013","33.842","0.003","90","","98.773","0.006","90","","10991.6","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Fe3 N6 O4.75 -","- C60 H74 Fe3 N6 O4.75 -","- C480 H592 Fe24 N48 O38 -","8","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1473","0.0635","","","0.1463","0.1819","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514943","12.403","0.003","20.06","0.004","22.036","0.005","90","","90","","90","","5483","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 Fe3 N6 P3 -","- C65 H69 Fe3 N6 P3 -","- C260 H276 Fe12 N24 P12 -","4","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1384","0.0625","","","0.0896","0.1096","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514944","8.6711","0.0003","9.4306","0.0004","29.5986","0.0013","90","","90","","90","","2420.39","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N2 O4 -","- C26 H25 F3 N2 O4 -","- C104 H100 F12 N8 O16 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.1087","0.0835","","0.2219","0.1962","0.2218","","","","","","0.9893","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514945","11.9727","0.0003","24.2406","0.0007","10.481","0.0003","90","","107.399","0.001","90","","2902.67","0.14","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 F3 N O6 S -","- C31 H30 F3 N O6 S -","- C124 H120 F12 N4 O24 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.0656","0.0462","","0.1327","0.1132","0.1326","","","","","","0.9241","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514946","10.8509","0.0001","9.3445","0.0001","12.7734","0.0002","90","","107.297","0.0015","90","","1236.6","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 F3 N2 O4 -","- C27 H27 F3 N2 O4 -","- C54 H54 F6 N4 O8 -","2","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0369","0.036","","0.0957","0.0946","0.0957","","","","","","0.9957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514947","9.3165","0.0001","14.3322","0.0001","19.705","0.0001","90","","90","","90","","2631.13","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0239","0.0237","","0.0621","0.0619","0.0621","","","","","","1.0057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514948","30.7917","0.0004","10.2374","0.0001","11.7082","0.0002","90","","90.481","0.001","90","","3690.61","0.09","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 Si -","- C44 H40 N4 Si -","- C176 H160 N16 Si4 -","4","0.5","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0396","0.0366","","","0.1015","0.1043","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514949","21.7477","0.0009","13.4689","0.0006","35.5044","0.0011","90","","90","","90","","10399.9","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 O2 Si -","- C32 H26 O2 Si -","- C512 H416 O32 Si16 -","16","2","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0958","0.0456","","","0.077","0.0847","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514950","20.3587","0.0004","11.0369","0.0003","18.2729","0.0008","90","","93.111","0.002","90","","4099.8","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 N2 Si -","- C54 H44 N2 Si -","- C216 H176 N8 Si4 -","4","1","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.5418","CuKα","","0.0485","0.0371","","","0.0902","0.0933","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514951","13.4798","0.0019","24.491","0.003","11.104","0.0012","90","","122.469","0.003","90","","3092.8","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H42 F6 N O6 P -","- C28 H42 F6 N O6 P -","- C112 H168 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0594","0.0503","","","0.1038","0.1096","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514952","13.7552","0.0015","13.8563","0.0015","16.5085","0.0017","90","","96.093","0.003","90","","3128.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 F6 N O6 P -","- C29 H44 F6 N O6 P -","- C116 H176 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0736","0.0581","","","0.1395","0.1481","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514953","8.538","0.005","33.09","0.02","11.751","0.007","90","","97.9","0.02","90","","3288","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O6 P -","- C30 H46 F6 N O6 P -","- C120 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.121","0.0754","","","0.1873","0.2115","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514954","8.702","0.0007","32.962","0.003","11.4583","0.001","90","","93.616","0.003","90","","3280.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O7 P -","- C30 H46 F6 N O7 P -","- C120 H184 F24 N4 O28 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0864","0.0597","","","0.1283","0.1396","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514955","15.9763","0.0008","13.6353","0.0007","15.3457","0.0007","90","","104.633","0.002","90","","3234.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 F6 N O6 P -","- C29 H46 F6 N O6 P -","- C116 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0947","0.0685","","","0.163","0.1806","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514956","8.3591","0.001","33.576","0.004","12.1989","0.0015","90","","99.083","0.003","90","","3380.9","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 F6 N O7 P -","- C30 H48 F6 N O7 P -","- C120 H192 F24 N4 O28 P4 -","4","2","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.052","0.046","","","0.1085","0.1123","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514957","11.03","0.005","12.159","0.005","12.875","0.006","112.013","0.006","104.449","0.007","96.026","0.008","1511.8","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H16 O S4 -","- C33 H16 O S4 -","- C66 H32 O2 S8 -","2","1","","Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario","Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60","Chemical Science","2012","3","2","498","","10.1039/c1sc00669j","","","0.71073","MoKα","","0.1899","0.0743","","","0.1142","0.124","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514958","23.2637","0.0017","23.2637","0.0017","62.003","0.009","90","","90","","90","","33556","6","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H46 Br2 N4 O2 -","- C48 H46 Br2 N4 O2 -","- C1536 H1472 Br64 N128 O64 -","32","1","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1219","0.0762","","","0.1763","0.2003","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514959","17.198","0.004","17.198","0.004","15.807","0.007","90","","90","","90","","4675","3","153","2","153","2","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- C54 H52 N4 O2 -","- C54 H52 N4 O2 -","- C216 H208 N16 O8 -","4","0.25","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1032","0.0745","","","0.1881","0.2068","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514960","13.7494","0.0019","13.7494","0.0019","35.336","0.003","90","","90","","90","","6680.1","1.4","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate dihydrate","","- C26 H30 B2 F8 Fe N10 O2 -","- C26 H30 B2 F8 Fe N10 O2 -","- C208 H240 B16 F64 Fe8 N80 O16 -","8","0.5","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0771","0.0428","","","0.1034","0.1211","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514961","9.7481","0.0002","9.7481","0.0002","17.6848","0.0005","90","","90","","90","","1680.51","0.07","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.1048","0.0909","","","0.2721","0.2881","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514962","9.8046","0.0005","9.8046","0.0005","17.8869","0.0013","90","","90","","90","","1719.47","0.18","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0952","0.0797","","","0.2612","0.2717","","","","","","2.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514963","10.064","0.0004","11.6546","0.0005","12.3944","0.0006","90","","90","","90","","1453.76","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-bis(5-methylpyrazol-3-yl)pyridine methanol solvate","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C56 H68 N20 O4 -","4","1","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0759","0.0646","","","0.1704","0.1836","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514964","7.4169","0.0001","8.3781","0.0001","11.0339","0.0002","70.296","0.001","73.131","0.001","71.441","0.001","598.943","0.016","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 B F2 N3 -","- C13 H12 B F2 N3 -","- C26 H24 B2 F4 N6 -","2","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","1.54178","CuKα","","0.038","0.0368","","","0.0968","0.0981","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514965","12.6822","0.0013","6.9729","0.0007","13.8314","0.0014","90","","95.138","0.001","90","","1218.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B F2 N4 -","- C13 H9 B F2 N4 -","- C52 H36 B4 F8 N16 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0556","0.0444","","","0.1172","0.1288","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514966","13.589","0.0018","11.4482","0.0015","8.7135","0.0011","90","","105.519","0.001","90","","1306.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F2 N3 O -","- C14 H12 B F2 N3 O -","- C56 H48 B4 F8 N12 O4 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.04","0.0315","","","0.0758","0.0809","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514967","14.589","0.003","11.456","0.002","8.6272","0.0015","90","","90.271","0.002","90","","1441.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 B F2 N3 O2 -","- C15 H14 B F2 N3 O2 -","- C60 H56 B4 F8 N12 O8 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0834","0.0424","","","0.0921","0.1099","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514968","7.7978","0.0007","8.4159","0.0011","25.529","0.002","91.862","0.002","95.446","0.001","117.248","0.001","1477.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C68 H44 B4 F8 N16 -","4","2","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0812","0.0492","","","0.1187","0.135","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514969","14.883","0.009","11.843","0.01","19.893","0.01","90","","118.38","0.04","90","","3085","4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C56 H48 Ag2 F12 N12 O4 P2 -","- C56 H48 Ag2 F12 N12 O4 P2 -","- C112 H96 Ag4 F24 N24 O8 P4 -","2","0.5","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.71073","MoKα","","0.2709","0.0982","","","0.2019","0.2388","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514970","22.2009","0.0005","22.2009","0.0005","12.58554","0.00019","90","","90","","120","","5372.09","0.19","150","","150","","","","","","","","","8","P 6 2 2","P 6 2","177","","","","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C168 H144 Ag6 B3 Cl3 F12 N36 O12 -","3","0.25","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0769","0.0688","","","0.1874","0.1963","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514971","17.3366","0.0004","17.3366","0.0004","18.9739","0.0003","90","","90","","120","","4938.73","0.18","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0522","0.035","","","0.1043","0.1095","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1514972","17.3399","0.0003","17.3399","0.0003","18.6738","0.0003","90","","90","","120","","4862.47","0.14","567.3","","567.3","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0476","0.0363","","","0.112","0.1156","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514973","17.2761","0.0002","17.2761","0.0002","18.7097","0.0002","90","","90","","120","","4836.03","0.09","150","","150","","","","","","","","","5","P 63","P 6c","173","","","","- C90 H84 Ag3 N18 O6 -","- C90 H84 Ag3 N18 O6 -","- C180 H168 Ag6 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0462","0.0409","","","0.1165","0.1202","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514974","17.4164","0.0004","17.4164","0.0004","18.8187","0.0004","90","","90","","120","","4943.53","0.19","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Au3 B3 F12 N18 O6 -","- C90 H84 Au3 B3 F12 N18 O6 -","- C180 H168 Au6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0556","0.0363","","","0.0963","0.1002","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514975","12.6553","0.0003","13.0092","0.0005","15.1663","0.0004","104.239","0.003","112.9","0.003","99.765","0.003","2128.75","0.14","150.1","","150.1","","","","","","","","","8","P 1","P 1","1","","","","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","1","1","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0413","0.0391","","","0.1015","0.1045","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514976","7.95486","0.00005","10.00542","0.00006","20.80472","0.00017","90","","90","","90","","1655.88","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-Ethyl (2R,4S-dinitro-3R-phenyl-1S-cyclohexyl) acetate","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C64 H80 N8 O24 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.5418","CuKα","","0.0214","0.0211","","","0.0559","0.0562","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514977","5.5811","0.0005","12.5943","0.0015","26.723","0.004","90","","90","","90","","1878.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2(R)-[3(R)-(4'-methoxy-phenyl)-2(R),4(S)-dinitro-1(R)cyclohexyl] propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0992","0.0512","","","0.0983","0.1169","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514978","10.1928","0.0005","6.6518","0.0004","12.7044","0.0006","90","","93.098","0.005","90","","860.11","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl 2-[(1S,2R,3R,4S)-2-methyl-2,4-dinitro-3- phenylcyclohexyl]acetate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","0.71073","MoKα","","0.0831","0.0608","","","0.1323","0.1457","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514979","12.8847","0.0013","5.6274","0.0005","25.767","0.002","90","","92.776","0.009","90","","1866.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (2R)-2-[(1R,2R,3R,4S)-3-(4-methoxyphenyl)- 2,4-dinitrocyclohexyl]propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0793","0.0527","","","0.1283","0.1433","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514980","14.6379","0.0006","11.5625","0.0005","18.7162","0.0008","90","","96.152","0.002","90","","3149.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Fe O6 Pt S4 -","- C31 H28 Fe O6 Pt S4 -","- C124 H112 Fe4 O24 Pt4 S16 -","4","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0285","0.0266","","","0.0724","0.0741","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514981","22.814","0.0008","16.6711","0.0007","23.2989","0.0014","90","","92.135","0.002","90","","8855.2","0.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47 H60 Co O9.75 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C224 H176 Co8 O40 Pt8 S32 -","8","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54184","CuKα","","0.0434","0.034","","","0.0964","0.1003","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514982","11.3784","0.0007","11.822","0.0008","22.0722","0.0014","90","","90.429","0.001","90","","2969","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H22 Co O5 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C112 H88 Co4 O20 Pt4 S16 -","4","2","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","0.71073","MoKα","","0.0279","0.0262","","","0.0561","0.0567","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514983","19.0697","0.0015","19.0697","0.0015","22.6005","0.0019","90","","90","","90","","8218.7","1.1","293","2","293","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C32.35 H29.7 Ni O6.09 Pt S4 -","- C32.352 H29.704 Ni O6.088 Pt S4 -","- C258.816 H237.632 Ni8 O48.704 Pt8 S32 -","8","0.5","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0334","0.033","","","0.1064","0.1073","","","","","","1.131","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514984","8.0671","0.0001","12.5459","0.0001","15.4229","0.0002","83.045","0.001","83.617","0.001","81.899","0.001","1526.94","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1635","","","- C35 H41 B O7 -","- C35 H41 B O7 -","- C70 H82 B2 O14 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0364","","","0.0906","0.0954","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514985","11.4194","0.0001","10.9563","0.0001","12.2162","0.0001","90","","104.877","0.001","90","","1477.19","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","RajanBabu 1762","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C56 H70 N2 O14 Si2 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0599","0.0426","","","0.1043","0.1138","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514986","10.6948","0.0001","14.0253","0.0002","18.4358","0.0002","90","","90","","90","","2765.33","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1763","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C112 H140 N4 O28 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0397","","","0.0956","0.0978","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514987","10.3358","0.0001","10.7754","0.0001","13.7612","0.0001","103.096","0.001","100.398","0.001","91.195","0.001","1465.19","0.02","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1761","","","- C28 H36 O6 Si2 -","- C28 H36 O6 Si2 -","- C56 H72 O12 Si4 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0649","0.04","","","0.0983","0.1088","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514988","10.1179","0.0001","13.7992","0.0001","21.5342","0.0002","90","","90","","90","","3006.58","0.05","210","2","210","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1842","","","- C29 H37 N O8 Si -","- C29 H37 N O8 Si -","- C116 H148 N4 O32 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0609","0.0395","","","0.0878","0.0958","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514989","10.8449","0.0001","13.7385","0.0001","14.5994","0.0001","78.148","0.001","75.225","0.001","70.556","0.001","1965.93","0.03","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","RajanBabu 1793","","","- C38 H47 B O8 Sn -","- C37.978 H46.89 B O8 Sn0.989 -","- C75.956 H93.78 B2 O16 Sn1.978 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.074","0.0515","","","0.1566","0.1676","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514990","10.2127","0.0001","10.942","0.0001","28.6657","0.0003","90","","98.392","0.001","90","","3169.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RajanBabu 1782","","","- C35 H39 B O8 -","- C35 H39 B O8 -","- C140 H156 B4 O32 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0999","0.0454","","","0.1082","0.1259","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514991","16.1008","0.0013","16.9634","0.0013","25.931","0.002","90","","90","","90","","7082.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[SiP(iPr)3]Ni-CH3","","","- C37 H57 Ni P3 Si -","- C37 H57 Ni P3 Si -","- C296 H456 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0482","0.0356","","","0.0848","0.0939","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514992","47.534","0.004","13.9003","0.0011","30.423","0.002","90","","128.63","0.001","90","","15703","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{[SiP(iPr)3]Ni-N2}{BArF}","","","- C77.75 H75.75 B F24 N2 Ni P3 Si -","- C79.064 H77.064 B F24 N2 Ni P3 Si -","- C632.512 H616.512 B8 F192 N16 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.068","0.0464","","","0.114","0.1291","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514993","12.8286","0.0008","14.9103","0.001","38.095","0.003","90","","96.779","0.001","90","","7235.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","{[SiP(iPr)3]Ni-NCMe}{BArF}","","","- C70 H69 B F24 N Ni P3 Si -","- C70 H69 B F24 N Ni P3 Si -","- C280 H276 B4 F96 N4 Ni4 P12 Si4 -","4","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0708","0.0479","","","0.1096","0.1239","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514994","26.3375","0.0011","19.5435","0.0008","27.2078","0.001","90","","90","","90","","14004.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","{[SiP(iPr)3]Ni-CO}{BArF}","","","- C69 H66 B Cl F24 Ni O P3 Si -","- C68.873 H66 B Cl0.127 F24 Ni O0.873 P3 Si -","- C550.984 H528 B8 Cl1.016 F192 Ni8 O6.984 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0832","0.054","","","0.1278","0.1443","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514995","10.9905","0.0007","11.1304","0.0007","16.8144","0.0011","78.237","0.003","79.052","0.003","61.648","0.002","1761.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[SiP(iPr)3]Ni-H","","","- C36 H55 Cl Ni P3 Si -","- C36 H54.974 Cl0.026 Ni P3 Si -","- C72 H109.948 Cl0.052 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.075","0.0462","","","0.1045","0.1168","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514996","13.2952","0.0006","15.4595","0.0007","20.2687","0.001","74.996","0.003","84.981","0.003","83.775","0.003","3992.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-N2}{BArF}","","","- C86 H54 B F24 N2 Ni P3 Si -","- C86 H54 B F24 N2 Ni P3 Si -","- C172 H108 B2 F48 N4 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0963","0.0526","","","0.1037","0.1203","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514997","13.2892","0.0005","15.457","0.0006","20.2883","0.0007","74.851","0.001","85.107","0.001","83.842","0.001","3992.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-CO}{BArF}","","","- C87 H54 B F24 Ni O P3 Si -","- C87 H54 B F23.974 Ni O P3 Si -","- C174 H108 B2 F47.948 Ni2 O2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0733","0.047","","","0.114","0.1289","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514998","28.982","0.006","11.074","0.002","9.7067","0.0019","90","","101.66","0.003","90","","3051","1","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 N2 -","- C37 H32 Cl2 N2 -","- C148 H128 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2865","0.0821","","","0.1341","0.1812","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514999","32.92","0.013","11.005","0.004","9.624","0.004","90","","106.563","0.006","90","","3342","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H35 Cl2 N2 -","- C41 H35 Cl2 N2 -","- C164 H140 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2737","0.0837","","","0.19","0.2638","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515000","10.7874","0.0015","6.1038","0.0008","11.5494","0.0016","90","","104.177","0.002","90","","737.3","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0441","0.0409","","","0.1187","0.1224","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515001","6.2483","0.001","7.152","0.0011","16.741","0.003","101.417","0.002","91.557","0.003","92.041","0.002","732.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","1","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1291","0.0503","","","0.0926","0.1143","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515002","12.5981","0.0009","6.0734","0.0004","13.4724","0.0009","90","","117.737","0.001","90","","912.37","0.11","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0685","0.0424","","","0.1074","0.1236","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515003","22.398","0.003","11.1946","0.0017","9.7652","0.0014","90","","95.645","0.002","90","","2436.6","0.6","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cl2 N2 -","- C29 H23 Cl2 N2 -","- C116 H92 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1627","0.0584","","","0.1095","0.1423","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515004","25.388","0.011","11.126","0.005","9.788","0.004","90","","94.187","0.007","90","","2757","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl2 N2 -","- C33 H28 Cl2 N2 -","- C132 H112 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2301","0.0843","","","0.1597","0.2065","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515005","9.5229","0.0013","39.529","0.005","11.6647","0.0016","90","","98.282","0.003","90","","4345.2","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl3 N7 O7 -","- C43 H41 N7 O7 -","- C172 H164 N28 O28 -","4","1","","Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds","Chemical Science","2012","3","4","1105","","10.1039/c2sc00975g","","","0.71073","MoKα","","0.1361","0.0808","","","0.1968","0.2255","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515006","18.9443","0.0009","21.565","0.0011","17.9908","0.0009","90","","99.909","0.003","90","","7240.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Nb2 O6 P4 -","- C72 H102 Nb2 O6 P4.004 -","- C288 H408 Nb8 O24 P16.016 -","4","1","","Velian, Alexandra; Cummins, Christopher C.","Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process","Chemical Science","2012","3","4","1003","","10.1039/c2sc00931e","","","1.54178","CuKα","","0.0444","0.0368","","","0.091","0.0968","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515007","11.79263","0.0001","21.62584","0.00018","22.16086","0.00019","90","","102.592","0.0009","90","","5515.64","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Co3 I4 N4 O5 -","- C46 H78 Co3 I4 N4 O5 -","- C184 H312 Co12 I16 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0403","0.0246","","","0.053","0.0548","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515008","11.69346","0.00015","20.8757","0.0003","22.0206","0.0002","90","","102.034","0.0012","90","","5257.3","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Br4 Co3 N4 O5 -","- C46 H78 Br4 Co3 N4 O5 -","- C184 H312 Br16 Co12 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0735","0.0323","","","0.0664","0.0702","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515009","23.2374","0.0005","30.6555","0.0006","14.1318","0.0004","90","","90","","90","","10066.8","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C302 H492 Cl80 Co16 K4 N32 O16 -","4","0.5","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0757","0.0572","","","0.1392","0.1437","","","","","","1.151","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515010","11.78965","0.00015","31.1301","0.0004","27.4398","0.0003","90","","96.1289","0.0013","90","","10013.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H124 Cl21 Co4 K N8 O4 -","- C76 H124 Cl21 Co4 K N8 O4 -","- C304 H496 Cl84 Co16 K4 N32 O16 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.1075","0.0803","","","0.1979","0.2113","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515011","14.4425","0.0002","21.581","0.0003","16.8129","0.0002","90","","105.087","0.0014","90","","5059.69","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 Cl7 Co2 N5 O2 -","- C42 H74 Cl7 Co2 N5 O2 -","- C168 H296 Cl28 Co8 N20 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0572","0.0322","","","0.0803","0.0844","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515012","12.4636","0.0004","15.6121","0.0006","15.8197","0.0005","69.978","0.003","71.369","0.003","85.244","0.003","2739.42","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H86 Cl3 Co2 N6 O3 -","- C49.996 H85.992 Cl3 Co2 N6 O2.999 -","- C99.992 H171.984 Cl6 Co4 N12 O5.998 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0614","0.0353","","","0.0877","0.0918","","","","","","0.927","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515013","15.09","0.0002","20.2875","0.0003","15.702","0.0002","90","","104.082","0.0015","90","","4662.54","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Cl3 Co2 N7 O2 -","- C42 H70 Cl3 Co2 N7 O2 -","- C168 H280 Cl12 Co8 N28 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0469","0.0388","","","0.1043","0.1072","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515014","11.3806","0.0004","13.8405","0.0004","15.7508","0.0006","96.278","0.003","96.347","0.003","91.87","0.003","2448.45","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 Co2 N6 O4 -","- C46 H76 Cl2 Co2 N6 O4 -","- C92 H152 Cl4 Co4 N12 O8 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0883","0.0593","","","0.1514","0.1654","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515015","35.3728","0.0013","20.4934","0.0004","19.9836","0.0006","90","","124.046","0.005","90","","12003.2","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H73 Cl11 Co2 N6 O2 -","- C45.5 H73 Cl11 Co2 N6 O2 -","- C364 H584 Cl88 Co16 N48 O16 -","8","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0767","0.0434","","","0.1258","0.1319","","","","","","1.013","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515016","18.1726","0.0003","18.1726","0.0003","7.0372","0.0002","90","","90","","90","","2323.99","0.09","123","2","123","2","","","","","","","synthesis as described","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C24 H28 Cl8 I4 N8 O8 -","- C24 H28 Cl8 I4 N8 O8 -","- C48 H56 Cl16 I8 N16 O16 -","2","0.125","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.0981","0.1007","","","","","","1.23","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515017","26.3584","0.0007","7.034","0.0002","21.0654","0.0004","90","","109.216","0.001","90","","3688.03","0.16","123","2","123","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 Cl3 I4 N8 O8 -","- C23 H29 Cl3 I4 N8 O8 -","- C92 H116 Cl12 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0389","0.032","","","0.068","0.0705","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515018","17.2587","0.0003","17.2587","0.0003","15.5855","0.0004","90","","90","","90","","4642.34","0.16","123","2","123","2","","","","","","","synthesis as described","6","P 43 21 2","P 4nw 2abw","96","","","","- C26 H36 Cl8 I4 N8 O8 -","- C26 H36 Cl8 I4 N8 O8 -","- C104 H144 Cl32 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0436","0.0339","","","0.0612","0.0641","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515019","16.8566","0.0002","16.8566","0.0002","14.5819","0.0003","90","","90","","90","","4143.37","0.11","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C26 H40 I4 N12 O16 -","- C26 H40 I4 N12 O16 -","- C104 H160 I16 N48 O64 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0308","0.026","","","0.0477","0.0488","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515020","26.0769","0.0005","7.0625","0.0001","20.9842","0.0004","90","","108.622","0.001","90","","3662.29","0.11","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 I4 N8 O8 -","- C29 H36 I4 N8 O8 -","- C116 H144 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0316","0.0259","","","0.053","0.055","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515022","16.7294","0.0013","16.6323","0.0007","29.5917","0.0011","90","","90.954","0.005","90","","8232.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H77 N12 O7 U3 -","- C90 H77 N12 O7 U3 -","- C360 H308 N48 O28 U12 -","4","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1377","0.0768","","","0.1393","0.1614","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515023","7.2599","0.0004","12.1368","0.0009","16.1046","0.0008","99.775","0.005","90.893","0.004","95.133","0.005","1392.11","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl3 N4 O2 U -","- C29 H23 Cl3 N4 O2 U -","- C58 H46 Cl6 N8 O4 U2 -","2","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.0957","0.0759","","","0.1862","0.2005","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515024","27.1234","0.0013","27.366","0.0013","28.2322","0.0016","90","","90.531","0.004","90","","20954.7","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H44.25 N8.75 O5 U2 -","- C57.5 H44.25 N8.75 O5 U2 -","- C920 H708 N140 O80 U32 -","16","2","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1201","0.0757","","","0.1494","0.1722","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515025","11.172","0.003","34.082","0.009","12.621","0.003","90","","99.244","0.003","90","","4743","2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2-Cl2","","","- C52 H66 Cl2 Hg N O Sb -","- C52 H66 Cl2 Hg N O Sb -","- C208 H264 Cl8 Hg4 N4 O4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0478","0.0344","","","0.0729","0.079","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515026","18.171","0.005","28.753","0.008","13.422","0.007","90","","130.397","0.002","90","","5341","3","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","2-DMAP3","","","- C57 H60 F6 Hg N6 O P Sb -","- C57 H60 F6 Hg N6 O P Sb -","- C228 H240 F24 Hg4 N24 O4 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0286","0.0267","","","0.0611","0.0621","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515027","12.689","0.008","13.651","0.009","16.06","0.01","97.184","0.007","95.058","0.007","102.804","0.007","2672","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","2-F","","","- C68 H52 F2 Hg2 O Sb2 -","- C68 H52 F2 Hg2 O Sb2 -","- C136 H104 F4 Hg4 O2 Sb4 -","2","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0476","0.0352","","","0.0832","0.0907","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515028","13.2206","0.0015","21.054","0.002","13.5998","0.0015","90","","118.154","0.001","90","","3337.6","0.6","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2-THF","","","- C38 H34 F6 Hg O1.5 P Sb -","- C38 H34 F6 Hg O1.5 P Sb -","- C152 H136 F24 Hg4 O6 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0231","0.0212","","","0.0503","0.0512","","","","","","1.008","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515029","11.0114","0.0018","14.456","0.003","15.04","0.003","86.364","0.003","88.837","0.003","84.021","0.003","2376","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 I N4 O Pd S2 -","- C18 H29 I N4 O Pd S2 -","- C72 H116 I4 N16 O4 Pd4 S8 -","4","2","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0853","0.0487","","","0.1042","0.1193","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515030","9.4934","0.0009","12.8359","0.0012","12.9362","0.0012","85.96","0.002","70.27","0.002","84.36","0.002","1475.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N5 Pd S3 -","- C28 H33 N5 Pd S3 -","- C56 H66 N10 Pd2 S6 -","2","1","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0647","0.0524","","","0.1356","0.1422","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515031","22.414","0.009","23.022","0.009","23.782","0.009","95.8178","0.0002","116.725","0.003","114.544","0.004","9322","6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H178 Cu5 Ga30 N23 S54 -","- C52 Cu4.96 Ga30.04 N12 S54 -","- C104 Cu9.92 Ga60.08 N24 S108 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.093","0.0753","","","0.1712","0.1816","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515032","22.168","0.005","22.846","0.005","24.663","0.007","115.174","0.008","111.389","0.014","96.407","0.011","9985","5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C97.5 H192 Cl Cu5 Ga30 N24 S53.5 -","- C66 Cl Cu4.96 Ga30.04 N15 S53.5 -","- C132 Cl2 Cu9.92 Ga60.08 N30 S107 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.1058","0.0822","","","0.1456","0.1548","","","","","","1.012","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515033","23.617","0.002","40.808","0.004","46.252","0.005","90","","94.748","0.002","90","","44423","7","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H210 Cl2 Cu5 In30 N25 S54 -","- C81 Cl2 Cu4.999 In30.001 N18 S54 -","- C648 Cl16 Cu39.992 In240.008 N144 S432 -","8","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0732","0.0652","","","0.1593","0.1653","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515034","23.018","0.003","23.018","0.003","42.321","0.007","90","","90","","120","","19419","5","123","2","123","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C90 H186 Cu5 Ga30 N23 S56 -","- C47.12 Cu4.96 Ga30.04 N10.47 S56 -","- C188.48 Cu19.84 Ga120.16 N41.88 S224 -","4","0.333333","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0891","0.0797","","","0.1516","0.1568","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515035","13.831","0.006","16.175","0.007","18.572","0.009","90","","111.6","0.06","90","","3863","3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Fe N2 O9 -","- C42 H46 Fe N2 O9 -","- C168 H184 Fe4 N8 O36 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","MoKα","","0.1588","0.0841","","0.2217","0.1624","0.2217","","","","","","1.0844","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515036","11.106","0.003","17.783","0.004","19.841","0.005","95.61","0.04","100.94","0.03","106.08","0.03","3649.6","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H84 Cl Fe N5 O17 -","- C74 H84 Cl Fe N5 O17 -","- C148 H168 Cl2 Fe2 N10 O34 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.2361","0.1631","","0.3955","0.2994","0.3955","","","","","","0.8743","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515037","15.7014","0.0011","18.6485","0.0008","28.3126","0.0016","98.202","0.004","99.703","0.005","102.308","0.005","7845.3","0.8","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C152 H172 Cl14 Fe2 N10 O34 -","- C152 H172 Cl14 Fe2 N10 O34 -","- C304 H344 Cl28 Fe4 N20 O68 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","1.54184","CuKα","","0.1313","0.0813","","0.1713","0.1301","0.1707","","","","","","0.9936","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515038","14.26","0.001","39.5","0.001","14.26","0.001","90","","95.55","0.01","90","","7994.6","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 Cl Fe N5 O17 S2 -","- C76 H92 Cl Fe N5 O17 S2 -","- C304 H368 Cl4 Fe4 N20 O68 S8 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.1922","0.173","","0.3951","0.3682","0.3951","","","","","","1.0676","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515039","19.5557","0.0018","20.1957","0.0019","30.683","0.003","99.204","0.001","101.673","0.002","95.081","0.002","11622.6","1.9","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C93 H117 F6 N7 O8 Pt2 S2 -","- C93 H117 F6 N7 O8 Pt2 S2 -","- C372 H468 F24 N28 O32 Pt8 S8 -","4","2","","Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI)","Chemical Science","2012","3","4","1185","","10.1039/c2sc00935h","","","0.71073","MoKα","","0.1284","0.0626","","","0.158","0.1833","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515040","11.2309","0.0006","23.8183","0.0012","20.3932","0.0011","90","","102.308","0.005","90","","5329.8","0.5","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0811","0.0688","","0.0944","0.0808","0.0756","","","","","","1.0638","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515041","11.3478","0.0013","24.0164","0.0016","20.6607","0.0017","90","","102.06","0.009","90","","5506.5","0.9","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Gd6 N11 O54 -","- C69 H93 Cu2 Gd6 N11 O54 -","- C138 H186 Cu4 Gd12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0878","0.0697","","0.0866","0.073","0.0695","","","","","","1.0001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515042","11.259","0.005","24.017","0.005","20.506","0.005","90","","101.793","0.005","90","","5428","3","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0765","0.0589","","0.0723","0.0602","0.0576","","","","","","1.0794","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515043","11.36","","24","","20.66","","90","","101.988","0.0001","90","","5509.9","0.002","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 N11 O54 Y6 -","- C69 H93 Cu2 N11 O54 Y6 -","- C138 H186 Cu4 N22 O108 Y12 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.2348","0.1076","","0.1178","0.1011","0.1004","","","","","","1.1358","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515044","9.5107","0.0004","10.1897","0.0005","27.7823","0.0013","90","","90","","90","","2692.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.051","0.0466","","","0.1076","0.1099","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515045","21.316","0.002","6.3205","0.0006","17.4926","0.0017","90","","112.859","0.002","90","","2171.6","0.4","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C84 H84 Br4 N8 O16 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.0884","0.0479","","","0.1018","0.1286","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515046","26.3208","0.0013","15.7874","0.0015","18.718","0.003","90","","115.474","0.009","90","","7021.8","1.5","122","1","122","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cr Dy2 F38 N5 O16 -","- C50 H28 Cr Dy2 F38 N5 O16 -","- C200 H112 Cr4 Dy8 F152 N20 O64 -","4","0.5","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0619","0.0414","","","0.0954","0.1073","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515047","12.515","0.005","19.836","0.007","21.392","0.006","85.52","0.03","81.35","0.04","86.229","0.019","5226","3","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H24 Cr Dy F26 N4 O8 -","- C40 H24 Cr Dy F26 N4 O8 -","- C160 H96 Cr4 Dy4 F104 N16 O32 -","4","2","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0727","0.0426","","","0.087","0.0946","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515048","48.8463","0.0007","48.8463","0.0007","48.8463","0.0007","90","","90","","90","","116545","3","123","2","123","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C348 H354 Cl6 Co24 N6 O72 S24 -","- C336 H312 Cl6 Co24 O72 S24 -","- C2688 H2496 Cl48 Co192 O576 S192 -","8","0.166667","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun","Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges","Chemical Science","2012","3","7","2321","","10.1039/c2sc20264f","","","0.71073","MoKα","","0.1172","0.092","","","0.2329","0.2494","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515049","12.5958","0.0016","15.8","0.002","20.902","0.003","76.137","0.002","76.659","0.002","83.229","0.002","3921","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)YH2)2(THF)3","","","- C74 H106 N4 O3 Y2 -","- C74 H106 N4 O3 Y2 -","- C148 H212 N8 O6 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0935","0.058","","","0.1398","0.1518","","","","","","0.953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515050","13.2117","0.0018","14.827","0.002","23.057","0.003","81.78","0.002","73.628","0.002","66.103","0.002","3959.9","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH2)2(THF)3","","","- C81 H114 Lu2 N4 O3 -","- C81 H114 Lu2 N4 O3 -","- C162 H228 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.062","0.0498","","","0.1252","0.1317","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515051","13.0663","0.0019","38.724","0.006","15.781","0.002","90","","93.796","0.003","90","","7967","2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","((PhNCN)2Y2H3(OC4H9))(THF)3","","","- C81 H123 N4 O4.5 Si Y2 -","- C81 H123 N4 O4.5 Si Y2 -","- C324 H492 N16 O18 Si4 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.1443","0.0629","","","0.1162","0.143","","","","","","0.966","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515052","11.898","0.003","23.121","0.006","35.564","0.009","90","","90.028","0.004","90","","9783","4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((PhNCN)YH)2(CH2NAr*)(THF)3","","","- C83 H115 N5 O3 Y2 -","- C83 H115 N5 O3 Y2 -","- C332 H460 N20 O12 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0881","0.0541","","","0.1301","0.1407","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515053","13.437","0.002","14.939","0.003","22.326","0.004","107.399","0.003","102.549","0.003","100.158","0.003","4031.9","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)2Lu2H3(THF)3)(PhCCHPh)","","","- C88 H116 Lu2 N4 O3 -","- C88 H116 Lu2 N4 O3 -","- C176 H232 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.071","0.0452","","","0.0937","0.1015","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515054","12.53","0.005","16.733","0.005","22.194","0.005","107.824","0.005","103.291","0.005","91.97","0.005","4284","2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","(PhNCNLuH(THF))2(PhCHCHPh)","","","- C84 H108 Lu2 N4 O2 -","- C84 H108 Lu2 N4 O2 -","- C168 H216 Lu4 N8 O4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0756","0.0475","","","0.1006","0.1081","","","","","","0.928","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515055","15.161","0.002","17.449","0.003","18.27","0.003","76.958","0.003","76.864","0.003","70.969","0.003","4388.8","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH)2(THF)(PhCHCHPh)","","","- C80 H100 Lu2 N4 O -","- C80 H100 Lu2 N4 O -","- C160 H200 Lu4 N8 O2 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0667","0.0445","","","0.0844","0.0895","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515056","13.731","0.003","15.277","0.003","22.821","0.005","97.855","0.003","98.334","0.003","99.894","0.003","4601.6","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((PhNCN)YH(THF))2(PhCHCCCHPh)","","","- C86 H108 N4 O2 Y2 -","- C86 H108 N4 O2 Y2 -","- C172 H216 N8 O4 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0727","0.0475","","","0.1089","0.1171","","","","","","0.944","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515057","19.3772","0.0008","34.3744","0.001","20.7308","0.0007","90","","115.432","0.002","90","","12470.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H0 Co5 O25 -","- C159 Co5 O25 -","- C318 Co10 O50 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.0912","0.0602","","","0.1493","0.1655","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515058","20.6536","0.0003","33.4974","0.0005","20.7926","0.0003","90","","118.619","0.001","90","","12627.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H O24 Zn4 -","- C159 O24 Zn4 -","- C318 O48 Zn8 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.1038","0.0868","","","0.2131","0.2226","","","","","","1.32","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515059","10.5431","0.0011","9.835","0.0012","12.1245","0.001","90","","92.891","0.003","90","","1255.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O4 S -","- C10 H18 N2 O4 S -","- C40 H72 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.1069","0.0724","","","0.181","0.2067","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515060","10.1825","0.0006","21.4793","0.0014","20.4614","0.0012","90","","103.9","0.002","90","","4344.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N2 O6 S -","- C19 H32 N2 O6 S -","- C152 H256 N16 O48 S8 -","8","2","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0793","0.0613","","","0.1464","0.1554","","","","","","1.113","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515061","5.8032","0.0008","20.518","0.003","12.8411","0.0017","90","","97.101","0.004","90","","1517.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C60 H80 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0435","0.0349","","","0.0869","0.0908","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515062","6.5173","0.0006","21.874","0.002","15.6036","0.0013","90","","90.991","0.003","90","","2224.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0691","0.0414","","","0.0965","0.1074","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515063","13.355","0.003","10.423","0.002","11.32","0.002","90","","107.797","0.007","90","","1500.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O4 S -","- C13 H22 N2 O4 S -","- C52 H88 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0811","0.0498","","","0.1171","0.1298","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515064","15.6077","0.0013","24.196","0.002","38.766","0.003","90","","90","","90","","14640","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C101.5 H146.5 O96 Pb14 -","- C102 H135 O96 Pb14 -","- C408 H540 O384 Pb56 -","4","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0344","0.0285","","","0.0609","0.063","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515065","20.126","0.003","18.866","0.003","22.188","0.004","90","","94.783","0.002","90","","8395","2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C96 H128 O89 Pb16 -","- C96 H128 O89 Pb16 -","- C192 H256 O178 Pb32 -","2","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0707","0.0588","","","0.1516","0.1613","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515066","9.58","0.0019","16.55","0.003","7.69","0.0015","90","","112.13","0.03","90","","1129.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Butyl-linked bis-thymine propanoate","Butyl-linked bis-thymine propanoate","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C44 H60 N8 O16 -","2","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.71253","synchrotron","","0.0468","0.0446","","","0.1147","0.1164","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515067","22.4706","0.0005","9.36","0.0019","16.0501","0.0003","90","","131.959","0.003","90","","2510.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hexyl-linked bis-thymine propanoate","Hexyl-linked bis-thymine propanoate","","- C24 H36 N4 O9 -","- C24 H36 N4 O9 -","- C96 H144 N16 O36 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710699","Synchrotron","","0.0498","0.0459","","","0.1191","0.1217","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515068","22.26","0.003","22.26","0.003","4.77","0.001","90","","90","","90","","2363.6","0.7","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","Butyl-linked bis-thymine propamide","Butyl-linked bis-thymine propamide","","- C20 H30 N6 O7 -","- C20 H30 N6 O7 -","- C80 H120 N24 O28 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710702","synchrotron","","0.0844","0.0574","","","0.1452","0.1613","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515069","9.824","0.004","20.306","0.008","36.358","0.013","90","","90","","90","","7253","5","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H94 O12 -","- C84 H94 O12 -","- C336 H376 O48 -","4","1","","Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro","Size-selective synthesis of [9]‒[11] and [13]cycloparaphenylenes","Chemical Science","2012","3","7","2340","","10.1039/c2sc20343j","","","0.71075","MoKα","","0.1016","0.0877","","","0.2429","0.2575","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515070","12.565","0.002","29.618","0.005","9.858","0.002","90","","105.695","0.003","90","","3531.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H31 Co N3 O9.5 -","- C32.75 H24 Co N3 O7.75 -","- C131 H96 Co4 N12 O31 -","4","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.167","0.114","","","0.298","0.354","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515071","10.09","0.002","16.362","0.003","24.453","0.005","106.75","0.03","92.97","0.03","103.16","0.03","3734.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 Co2 N10 O18 -","- C60 H32 Co2 N6 O12 -","- C120 H64 Co4 N12 O24 -","2","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.118","0.0752","","","0.202","0.222","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515072","13.83","0.003","8.0116","0.0014","21.166","0.004","90","","104.203","0.008","90","","2273.5","0.8","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0768","0.0616","","","0.169","0.1851","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515073","15.778","0.003","16.681","0.003","8.324","0.0017","90","","95.55","0.03","90","","2180.5","0.7","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0638","0.0469","","","0.1033","0.1147","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515074","12.9325","0.0002","8.0103","0.0001","19.3676","0.0003","90","","105.363","0.001","90","","1934.66","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 -","- C48 H32 -","- C96 H64 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0432","0.0414","","","0.1115","0.1126","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515075","15.9075","0.0004","8.1405","0.0002","20.7418","0.0006","90","","108.655","0.002","90","","2544.84","0.12","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 -","- C60 H40 -","- C120 H80 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0583","0.0505","","","0.1416","0.1464","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515076","12.8737","0.0003","19.0556","0.0004","27.2224","0.0006","69.54","0.002","79.038","0.002","79.051","0.002","6087.1","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C120 H40 -","- C120 H40 -","- C360 H120 -","3","1.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.1079","0.0766","","","0.2104","0.2236","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515077","28.532","0.003","33.426","0.003","16.0881","0.0014","90","","90","","90","","15343","3","296","2","296","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C81 H28 Cu2 O18 -","- C81 H28 Cu2 O18 -","- C324 H112 Cu8 O72 -","4","0.5","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.1115","0.0685","","","0.1823","0.1957","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515078","36.3615","0.0003","36.3615","0.0003","34.7679","0.0006","90","","90","","90","","45968.7","1","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.71 H20 O8 Zn1.71 -","- C34.7143 H20 O8 Zn1.71429 -","- C972 H560 O224 Zn48 -","28","1.75","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.0478","0.0388","","","0.0933","0.0966","","","","","","0.954","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515079","9.232","0.0004","9.9138","0.0004","13.3547","0.0005","105.125","0.002","102.783","0.002","100.418","0.002","1113.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","1","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0329","0.0305","","","0.0718","0.073","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515080","27.5131","0.0008","12.7588","0.0004","25.2896","0.0007","90","","114.339","0.002","90","","8088.5","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0404","0.0363","","","0.0865","0.0884","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515081","27.484","0.0004","12.7411","0.0002","25.273","0.0004","90","","114.331","0.002","90","","8064","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","0.71073","MoKα","","0.0479","0.0269","","","0.0569","0.0592","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515082","10.149","0.0001","11.5785","0.0001","19.7361","0.0001","90","","93.295","0.001","90","","2315.36","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C26.5 H22 Cl3 N O3 -","- C26.5 H22 Cl3 N O3 -","- C106 H88 Cl12 N4 O12 -","4","2","","Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio","Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols","Chemical Science","2012","3","10","2949","","10.1039/c2sc20590d","","x-ray","1.54184","CuKα","","0.0314","0.0302","","","0.0805","0.0816","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515083","7.8946","0.0006","5.9692","0.0004","10.8812","0.001","90","","92.454","0.003","90","","512.3","0.07","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0728","0.0302","","0.0735","0.0466","0.0735","","","","","","1.0241","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515084","7.8401","0.0006","5.9549","0.0004","10.8935","0.001","90","","92.556","0.003","90","","508.08","0.07","250","","250","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0673","0.0284","","0.0699","0.0463","0.0699","","","","","","1.0417","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515085","7.7899","0.0006","5.9402","0.0004","10.9075","0.001","90","","92.67","0.003","90","","504.18","0.07","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0615","0.0253","","0.0843","0.0538","0.0843","","","","","","1.0074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515086","7.7378","0.0006","5.9245","0.0004","10.9232","0.0009","90","","92.821","0.003","90","","500.14","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0562","0.0256","","0.0642","0.0418","0.0642","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515087","7.6885","0.0006","5.9097","0.0004","10.9351","0.0009","90","","92.984","0.003","90","","496.18","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0547","0.0251","","0.0636","0.0438","0.0636","","","","","","1.0166","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515088","7.8926","0.0005","5.9767","0.0003","10.8739","0.0006","90","","92.47","0.005","90","","512.46","0.05","293","","293","","","","101.325","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0379","0.0248","","0.0681","0.0602","0.0681","","","","","","1.0721","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515089","7.433","0.002","5.8092","0.0003","10.9101","0.0005","90","","93.736","0.01","90","","470.09","0.13","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1072","0.0821","","0.2123","0.2029","0.2123","","","","","","1.1132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515090","7.2027","0.0016","5.6926","0.0003","10.9057","0.0004","90","","94.504","0.008","90","","445.78","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1055","0.0891","","0.2574","0.2447","0.2574","","","","","","1.0632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515091","7.0544","0.0017","5.6024","0.0003","10.8873","0.0004","90","","95.062","0.009","90","","428.61","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0996","0.0728","","0.191","0.1758","0.191","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515092","6.992","0.0013","5.559","0.0002","10.875","0.0004","90","","95.344","0.007","90","","420.86","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0954","0.0772","","0.2066","0.1932","0.2066","","","","","","0.9796","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515093","6.9259","0.0016","5.5072","0.0002","10.8549","0.0004","90","","95.667","0.008","90","","412.01","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.102","0.0751","","0.2048","0.1891","0.2048","","","","","","1.0542","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515094","6.871","0.0013","5.467","0.0002","10.8393","0.0003","90","","95.878","0.007","90","","405.02","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0753","0.0601","","0.1595","0.1492","0.1595","","","","","","1.0147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515095","6.828","0.002","5.4298","0.0003","10.8209","0.0005","90","","96.076","0.011","90","","398.93","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.082","0.0615","","0.1545","0.141","0.1545","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515096","17.533","0.0012","20.0767","0.0014","21.7131","0.0015","90","","96.387","0.001","90","","7595.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Ag F9 N8 O9 S3 -","- C69 H54 Ag F9 N8 O9 S3 -","- C276 H216 Ag4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1069","0.0652","","","0.1645","0.1807","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515097","17.1508","0.0014","16.7972","0.0014","24.955","0.002","90","","106.286","0.001","90","","6900.7","1","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C136 H104 Ag4 F12 N16 O12 S4 -","- C136 H104 Ag4 F12 N16 O12 S4 -","- C272 H208 Ag8 F24 N32 O24 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0951","0.0816","","","0.2243","0.2372","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515098","14.122","0.002","17.707","0.003","32.571","0.005","93.111","0.002","97.694","0.002","109.952","0.002","7543","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H104 Ag4 F24 N16 P4 -","- C132 H104 Ag4 F24 N16 P4 -","- C264 H208 Ag8 F48 N32 P8 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0648","0.0447","","","0.1148","0.1231","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515099","28.295","0.003","8.808","0.001","29.743","0.003","90","","97.637","0.001","90","","7346.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pt S2 -","- C68 H52 F6 N8 O6 Pt S2 -","- C272 H208 F24 N32 O24 Pt4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0973","0.0736","","","0.1712","0.1794","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515100","12.306","0.002","18.427","0.004","16.292","0.003","90","","100.907","0.002","90","","3627.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 F6 N8 O8 Ru S4 -","- C72 H64 F6 N8 O8 Ru S4 -","- C144 H128 F12 N16 O16 Ru2 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1459","0.1099","","","0.3146","0.3419","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515101","16.995","0.004","13.564","0.003","27.388","0.006","90","","93.097","0.003","90","","6304","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C276 H216 Cl8 Co4 F24 N32 O24 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1278","0.0915","","","0.239","0.277","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515102","12.1931","0.0013","13.7529","0.0015","18.886","0.002","90","","91.471","0.001","90","","3166","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl2 Cr F6 N10 P -","- C70 H58 Cl2 Cr F6 N10 P -","- C140 H116 Cl4 Cr2 F12 N20 P2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0831","0.0436","","","0.1078","0.1404","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515103","33.096","0.002","16.4589","0.0012","26.678","0.003","90","","120.04","0.001","90","","12580.1","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C544 H432 Ag24 Cl32 F24 N64 O24 S8 -","8","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0754","0.0474","","","0.1295","0.1504","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515104","28.29","0.003","8.8229","0.0009","29.69","0.003","90","","97.815","0.001","90","","7341.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pd S2 -","- C68 H52 F6 N8 O6 Pd S2 -","- C272 H208 F24 N32 O24 Pd4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1163","0.0697","","","0.1614","0.1783","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515105","17.1544","0.0005","28.6906","0.0009","29.7309","0.0009","90","","104.592","0.001","90","","14160.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 F6 N8 Ni O6 S2 -","- C68 H52 F6 N8 Ni O6 S2 -","- C544 H416 F48 N64 Ni8 O48 S16 -","8","2","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1122","0.0676","","","0.1734","0.1901","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515106","12.646","0.005","13.785","0.006","18.779","0.008","90","","90.702","0.005","90","","3273","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H52 F6 I2 N8 P Rh -","- C66 H52 F6 I2 N8 P Rh -","- C132 H104 F12 I4 N16 P2 Rh2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1692","0.1127","","","0.2865","0.3143","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515107","18.2751","0.0017","13.6076","0.0013","27.721","0.003","90","","92.926","0.001","90","","6884.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H52 Au F9 N8 O9 S3 -","- C69 H52 Au F9 N8 O9 S3 -","- C276 H208 Au4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0971","0.071","","","0.204","0.2208","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515108","13.6543","0.0006","24.252","0.001","18.6535","0.0008","90","","94.437","0.002","90","","6158.5","0.5","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C180 H140 Cl16 Co8 F72 N40 O8 P12 -","4","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0793","0.0668","","","0.1823","0.1915","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515109","12.15","0.004","13.31","0.004","17.433","0.005","95.7","0.02","96.001","0.019","107.53","0.03","2648","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H53 Co2 F18 N14 O3 P3 -","- C47 H53 Co2 F18 N14 O3 P3 -","- C94 H106 Co4 F36 N28 O6 P6 -","2","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0438","0.0384","","","0.1095","0.1132","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515110","8.6872","0.0008","24.892","0.002","12.6503","0.0012","90","","92.44","0.002","90","","2733","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DACBr2","","","- C25 H29 Br2 Cl3 N2 O2 -","- C25 H29 Br2 Cl3 N2 O2 -","- C100 H116 Br8 Cl12 N8 O8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0468","0.038","","","0.0816","0.0861","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515111","18.893","0.002","8.2648","0.0009","17.927","0.002","90","","108.099","0.002","90","","2660.7","0.5","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","6satMesBr2","","","- C23 H29 Br2 Cl3 N2 -","- C23 H29 Br2 Cl3 N2 -","- C92 H116 Br8 Cl12 N8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.063","0.0528","","","0.1352","0.1419","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515112","28.784","0.003","28.621","0.003","13.801","0.0013","90","","90","","90","","11370","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SIMesBr2","","","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C360 H440 Br32 Cl72 N32 -","16","2","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0885","0.0577","","","0.134","0.1514","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515113","8.005","0.006","8.772","0.006","16.048","0.011","91.431","0.009","103.924","0.009","98.836","0.007","1078.5","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACUrea","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0776","0.0528","","","0.1531","0.1877","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515114","14.9337","0.0012","11.8693","0.0009","13.6108","0.0011","90","","92.054","0.002","90","","2411","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DACDimethyldisulfide","","","- C26 H34 N2 O2 S2 -","- C26 H34 N2 O2 S2 -","- C104 H136 N8 O8 S8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0635","0.0532","","","0.1449","0.1542","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515115","11.0307","0.0015","12.136","0.0016","12.8498","0.0017","69.777","0.003","79.796","0.003","85.828","0.003","1588.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DACDiphenylsulfide","","","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","- C72 H76 N4 O4 S4 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1148","0.0644","","","0.1335","0.1587","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515116","11.5","0.002","17.626","0.004","14.155","0.003","90","","91.498","0.004","90","","2868.2","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACAcenapthenedione","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1145","0.0613","","","0.1312","0.1579","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515117","19.076","0.006","9.301","0.003","10.997","0.003","90","","90","","90","","1951.2","1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 B2 N2 -","- C10 H10 B2 N2 -","- C80 H80 B16 N16 -","8","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0743","0.0463","","","0.1012","0.1157","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515118","23.388","0.011","31.934","0.015","5.423","0.003","90","","90","","90","","4050","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H10 B N -","- C12 H10 B N -","- C192 H160 B16 N16 -","16","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0946","0.0571","","","0.1043","0.1198","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515119","9.537","0.007","11.248","0.009","12.439","0.01","107.701","0.009","97.463","0.006","104.937","0.01","1196.4","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.6889","synchrotron","","0.1108","0.081","","","0.2357","0.2662","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515120","9.51","0.017","11.31","0.02","12.46","0.02","107.583","0.019","97.533","0.014","104.719","0.019","1204","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1709","0.1249","","","0.2658","0.2959","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515121","9.525","0.012","11.38","0.015","12.488","0.016","107.619","0.015","97.507","0.01","104.894","0.016","1214","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1329","0.0855","","","0.23","0.2674","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515122","9.534","0.002","19.6","0.005","10.977","0.003","90","","110.365","0.003","90","","1923","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.2384","0.0512","","","0.1108","0.1584","","","","","","0.797","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515123","16.399","0.003","7.8427","0.0014","16.851","0.003","90","","108.538","0.003","90","","2054.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.1239","0.0426","","","0.0927","0.1168","","","","","","0.844","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515124","14.348","0.005","11.622","0.004","16.672","0.006","90","","103.442","0.005","90","","2703.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C112 H128 O40 -","8","2","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0774","0.0548","","","0.1582","0.1693","","","","","","2.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515125","11.21","0.005","16.029","0.007","11.499","0.005","90","","102.731","0.007","90","","2015.4","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C84 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0712","0.0451","","","0.111","0.1225","","","","","","1.175","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515126","17.443","0.004","21.703","0.005","9.844","0.002","90","","90","","90","","3726.6","1.4","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C152 H168 N24 O32 -","8","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.247","0.1313","","","0.2684","0.307","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515127","9.6914","0.0001","12.1082","0.0001","22.0163","0.0003","80.771","0.0004","79.72","0.0005","73.3185","0.0005","2418.67","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ti(NAr)(NHAr)2(py)2","","- C46 H63 N5 Ti -","- C46 H63 N5 Ti -","- C92 H126 N10 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.0899","0.0685","","0.0799","0.0645","0.0614","","","","","","0.9984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515128","10.2991","0.0007","19.4178","0.0012","13.0747","0.0009","90","","101.982","0.004","90","","2557.8","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ti(Me)(NAr)3{Li(py)}3","","- C52 H69 Li3 N6 Ti -","- C52 H69 Li3 N6 Ti -","- C104 H138 Li6 N12 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1163","0.0708","","0.0841","0.0535","0.0493","","","","","","1.1051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515129","18.4575","0.0002","16.9731","0.0002","17.726","0.0002","90","","90","","90","","5553.22","0.11","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ti(NAr)2(NHAr)2{Li(py)}2","","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C230 H330 Li8 N22 O2 Ti4 -","4","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1352","0.065","","0.1332","0.0624","0.0557","","","","","","1.1681","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515130","23.769","0.003","15.938","0.003","13.3495","0.0011","90","","102.022","0.009","90","","4946.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N2 O14 Ru2 -","- C40 H46 N2 O14 Ru2 -","- C160 H184 N8 O56 Ru8 -","4","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.031","0.0269","","","0.0729","0.0759","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515131","16.0499","0.0016","24.504","0.004","26.963","0.004","70.041","0.01","77.399","0.012","81.696","0.009","9699","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.1571","0.1234","","","0.3466","0.3818","","","","","","1.48","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515132","12.0083","0.0018","15.379","0.004","20.885","0.003","85.969","0.016","78.367","0.01","87.615","0.016","3766.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.0977","0.0904","","","0.1965","0.1993","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515133","16.2749","0.0009","7.2655","0.0004","22.8836","0.0013","90","","91.975","0.002","90","","2704.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Au F6 N4 P -","- C28 H24 Au F6 N4 P -","- C112 H96 Au4 F24 N16 P4 -","4","1","","Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming","Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations","Chemical Science","2012","3","3","752","","10.1039/c2sc00947a","","","1.54178","CuKα","","0.0713","0.0607","","","0.1531","0.1623","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515134","7.0177","0.0006","7.4499","0.0006","10.1765","0.0008","90","","90","","90","","532.04","0.08","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 Fe2 Rb -","- F6 Fe2 Rb -","- F24 Fe8 Rb4 -","4","0.5","","Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J.","RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride","Chemical Science","2012","3","3","741","","10.1039/c2sc00765g","","","0.71073","MoKα","","0.0246","0.0214","","","0.0485","0.0497","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515135","12.85","0.005","15.422","0.005","16.768","0.005","66.868","0.005","88.549","0.005","80.667","0.005","3012.7","1.8","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C88.2 H96.8 F24 N12 O16.2 Pd2 Sb4 -","2","1","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71069","MoKα","","0.067","0.0518","","","0.1387","0.1499","","","","","","1.097","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515136","11.9663","0.0019","12.345","0.0019","17.495","0.003","76.455","0.009","83.846","0.01","85.135","0.01","2493.3","0.7","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","1","0.5","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71073","MoKα","","0.0965","0.0748","","","0.2226","0.2379","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515138","9.731","0.003","11.057","0.004","18.275","0.005","89.321","0.018","76.443","0.017","87.163","0.019","1909.2","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H32 Fe -","- C24 H32 Fe -","- C96 H128 Fe4 -","4","2","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0979","0.0442","","","0.0939","0.1127","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515139","8.2905","0.0009","11.7186","0.0013","13.8485","0.0015","90","","106.91","0.004","90","","1287.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C72 H64 Fe4 -","4","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0307","0.0283","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515140","7.3925","0.0003","12.3693","0.0006","19.4209","0.0009","90","","90","","90","","1775.85","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 D4 Fe -","- C12 H12 Fe -","- C96 H96 Fe8 -","8","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0281","0.0222","","","0.0554","0.0591","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515141","30.829","0.0006","14.572","0.0007","24.908","0.0005","90","","123.658","0.005","90","","9313.8","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3 -","- C12 H16 Mn2 Mo12 N8 Na2 O73.98 P8 Zn3 -","- C48 H64 Mn8 Mo48 N32 Na8 O295.92 P32 Zn12 -","4","0.5","","Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo","Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties","Chemical Science","2012","3","3","705","","10.1039/c2sc00586g","","","0.71069","MoKα","","0.0534","0.0443","","","0.1304","0.1371","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515142","21.5894","0.0008","20.9227","0.0009","23.8146","0.0009","90","","109.321","0.002","90","","10151.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.75 H113.5 Dy2 N10 O16.25 -","- C104.75 H113.5 Dy2 N10 O16.25 -","- C419 H454 Dy8 N40 O65 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0704","0.0466","","","0.1134","0.1296","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515143","14.3544","0.0008","18.9741","0.001","23.049","0.0012","86.019","0.003","81.988","0.003","79.315","0.002","6102.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C259 H267 Dy4 N21 O35 -","2","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.1355","0.0805","","","0.1588","0.1881","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515144","11.784","0.0015","22.87","0.003","52.23","0.006","90","","95.811","0.006","90","","14004","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144.5 H165 Dy2 N10 O19.5 -","- C144.5 H165 Dy2 N10 O19.5 -","- C578 H660 Dy8 N40 O78 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0877","0.0763","","","0.1893","0.1963","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515145","9.357","0.007","13.439","0.009","18.66","0.013","90","","90","","90","","2346","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O S -","- C28 H29 N O S -","- C112 H116 N4 O4 S4 -","4","1","","Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro","Hindered biaryls by C‒H coupling: bisoxazoline-Pd catalysis leading to enantioselective C‒H coupling","Chemical Science","2012","3","6","2165","","10.1039/c2sc20277h","","","0.7107","MoKα","","0.136","0.1054","","","0.2507","0.2823","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515146","25.838","0.0016","25.838","0.0016","25.838","0.0016","90","","90","","90","","17249.5","1.9","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C6 H3 N4 Ni0.1 O3.25 Zn -","- C6 H3 N4 Ni0.09 O3.25 Zn0.91 -","- C192 H96 N128 Ni2.88 O104 Zn29.12 -","32","0.166667","","Brozek, Carl K.; Dincă, Mircea","Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+","Chemical Science","2012","3","6","2110","","10.1039/c2sc20306e","","","0.71073","MoKα","","0.1063","0.0905","","","0.2759","0.3424","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515147","8.712","0.002","12.244","0.003","16.51","0.003","90","","90","","90","","1761.1","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","Catalytic asymmetric α-amination of carboxylic acids using isothioureas","Chemical Science","2012","3","6","2088","","10.1039/c2sc20171b","","","0.71073","MoKα","","0.0456","0.0379","","","0.065","0.0682","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515148","20.1837","0.0012","9.1091","0.0005","23.0754","0.0013","90","","110.794","0.007","90","","3966.2","0.4","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49.9 H48.6 Cl0.2 N O3.9 S -","- C49.9 H43 Cl0.2 N O3.9 S -","- C199.6 H172 Cl0.8 N4 O15.6 S4 -","4","1","","Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong","An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect","Chemical Science","2012","3","6","1804","","10.1039/c2sc01108e","","x-ray","1.5418","CuKα","","0.1464","0.0721","","","0.1321","0.1651","","","","","","1.007","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515149","17.3296","0.0006","3.8995","0.0001","13.8867","0.0005","90","","114.947","0.002","90","","850.86","0.05","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 O2 -","- C8 H4 Br2 O2 -","- C32 H16 Br8 O8 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0234","0.0205","","0.0244","0.0225","0.0225","","","","","","1.1356","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515150","13.2036","0.0004","7.7069","0.0002","14.7968","0.0005","90","","107.154","0.0015","90","","1438.72","0.08","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br2 O4 -","- C16 H8 Br2 O4 -","- C64 H32 Br8 O16 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0367","0.0272","","0.0393","0.031","0.031","","","","","","1.1093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515151","13.3084","0.0003","6.8541","0.0002","29.076","0.0008","90","","93.477","0.0011","90","","2647.35","0.12","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br2 O8 -","- C32 H16 Br2 O8 -","- C128 H64 Br8 O32 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0973","0.0848","","0.1756","0.1725","0.1756","","","","","","1.0211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515152","8.6955","0.0002","11.3755","0.0003","13.3637","0.0003","90","","103.355","0.0011","90","","1286.13","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 I2 O3 -","- C12 H6 I2 O3 -","- C48 H24 I8 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0222","0.0205","","0.0485","0.0477","0.0485","","","","","","1.0625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515153","8.1262","0.0011","15.991","0.002","13.825","0.002","90","","101.243","0.005","90","","1762","0.4","200","","200","","","","","","","","local","4","C 1 c 1","C -2yc","9","","","","- C20 H10 Br2 O5 -","- C20 H10 Br2 O5 -","- C80 H40 Br8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.089","0.0576","","0.1237","0.1094","0.1237","","","","","","1.0073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515154","7.3671","0.0014","12.397","0.002","13.127","0.003","92.975","0.011","93.428","0.009","95.781","0.012","1188.6","0.4","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C28 H14 Br2 O7 -","- C28 H14 Br2 O7 -","- C56 H28 Br4 O14 -","2","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.2389","0.1017","","0.249","0.1769","0.249","","","","","","0.9873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515155","6.9255","0.0007","7.3969","0.0007","11.6514","0.0011","72.785","0.005","78.03","0.006","63.603","0.005","508.68","0.09","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","1","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.097","0.0652","","0.1586","0.1409","0.1586","","","","","","1.0534","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515156","5.9382","0.0003","22.9614","0.0017","6.718","0.0004","90","","91.539","0.005","90","","915.66","0.1","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.098","0.0566","","0.1468","0.1277","0.1468","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515157","8.9805","0.0002","7.2435","0.0001","15.1904","0.0003","90","","97.9427","0.0012","90","","978.66","0.03","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 O2 -","- C8 H6 O2 -","- C48 H36 O12 -","6","1.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0467","0.0354","","0.0487","0.0446","0.0446","","","","","","1.0607","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515158","24.2219","0.0009","5.1953","0.0002","7.4212","0.0003","90","","90","","90","","933.88","0.06","150","","150","","","","","","","","local","3","P c a 21","P 2c -2ac","29","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0296","0.0271","","0.0335","0.0314","0.0314","","","","","","1.1227","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515159","15.185","0.0007","8.7609","0.0004","7.1418","0.0003","90","","116.501","0.002","90","","850.27","0.07","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 O3 -","- C12 H6 O3 -","- C48 H24 O12 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0483","0.0395","","0.103","0.0987","0.103","","","","","","1.0426","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515160","8.8594","0.0003","8.8592","0.0002","46.7607","0.0014","90","","90","","90","","3670.12","0.19","200","","200","","","","","","","","Local laboratory","3","A b a 2","A 2 -2ab","41","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C192 H96 O48 -","12","","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.081","0.048","","0.089","0.072","0.072","","","1.89","1.91","1.91","1.91","","","","has coordinates","189978","2020-10-21","18:00:00",""
"1515161","10.3551","0.0009","13.6824","0.0011","25.595","0.002","90","","90","","90","","3626.4","0.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 N10 O9 -","- C40 H34 N10 O9 -","- C160 H136 N40 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0815","0.0621","","","0.1338","0.1426","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515162","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515163","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515164","10.4183","0.001","13.6836","0.0013","25.671","0.002","90","","90","","90","","3659.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33.25 Cl0.25 F N9 O8.75 -","- C40.89 H33.3 Cl0.26 F N9 O8.76 -","- C163.56 H133.2 Cl1.04 F4 N36 O35.04 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0921","0.0719","","","0.1385","0.1469","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515165","7.8466","0.0007","33.387","0.003","14.0698","0.0014","90","","94.602","0.002","90","","3674","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 N9 O9 -","- C41 H33 N9 O9 -","- C164 H132 N36 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0925","0.0613","","","0.1222","0.1333","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515166","10.611","0.001","12.959","0.0012","16.4525","0.0016","73.499","0.002","77.989","0.003","72.668","0.003","2051.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N10 O9 -","- C46 H36 N10 O9.149 -","- C92 H72 N20 O18.298 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0548","","","0.124","0.1335","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515167","6.9865","0.0004","19.2728","0.0011","14.239","0.0008","90","","103.327","0.002","90","","1865.64","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N4 O6 Rh2 -","- C32 H60 N4 O6 Rh2 -","- C64 H120 N8 O12 Rh4 -","2","0.5","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0619","0.0606","","","0.1633","0.1652","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515168","16.372","0.0004","8.7441","0.0002","17.2355","0.0005","90","","104.039","0.001","90","","2393.71","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N6 O6 Rh2 -","- C20 H34 N6 O6 Rh2 -","- C80 H136 N24 O24 Rh8 -","4","1","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0317","0.03","","","0.0886","0.0904","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515169","18.9708","0.0007","25.2751","0.0007","26.5778","0.0007","90","","90","","90","","12743.8","0.7","180","2","180","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C108 H168 N12 -","- C108 H168 N12 -","- C432 H672 N48 -","4","0.5","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.1668","0.1426","","","0.3419","0.3583","","","","","","1.427","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515170","19.2362","0.0001","19.2362","0.0001","19.2362","0.0001","90","","90","","90","","7118","0.06","150","2","150","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C123 H195 Cl9 N12 -","- C123 H195 Cl12.96 N12 -","- C246 H390 Cl25.92 N24 -","2","0.0833333","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.0906","0.0767","","","0.1927","0.2022","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515172","24.661","0.003","27.676","0.003","6.5393","0.0007","90","","90","","90","","4463.2","0.9","296.1","","296.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C49 H50 F O9 P -","- C49 H48 F O9 P -","- C196 H192 F4 O36 P4 -","4","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0592","","","","0.2291","","","","","","1.317","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515173","17.7436","0.0014","5.5873","0.0003","22.281","0.002","90","","105.469","0.003","90","","2128.9","0.3","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H50 F O9 P -","- C49 H46 F O9 P -","- C98 H92 F2 O18 P2 -","2","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0575","","","","0.0621","","","","","","1.11","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515174","10.131","0.003","16.286","0.006","22.312","0.007","90","","90","","90","","3681","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Au N3 P -","- C18 H21 Au N3 P -","- C144 H168 Au8 N24 P8 -","8","2","","Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils","A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line","Chemical Science","2012","3","6","2062","","10.1039/c2sc01127a","","","0.71073","MoKα","","0.082","0.0563","","","0.1136","0.1231","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515175","9.249","0.0008","36.15","0.002","14.659","0.0014","90","","109.97","0.003","90","","4606.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 I2 N7 O -","- C44 H57 I2 N7 O -","- C176 H228 I8 N28 O4 -","4","1","","Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee","A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate","Chemical Science","2012","3","6","1819","","10.1039/c2sc20232h","","","0.71074","MoKα","","0.1257","0.0977","","","0.2019","0.2116","","","","","","1.646","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515176","28.351","0.0012","13.1576","0.0006","19.608","0.0007","90","","112.633","0.002","90","","6751.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 B Cl D F25 O -","- C35 B F25 O -","- C280 B8 F200 O8 -","8","1","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","1.54178","CuKα","","0.056","0.0438","","","0.1236","0.1309","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515177","11.003","0.002","19.158","0.004","20.004","0.004","76.77","0.03","85.03","0.03","73.96","0.03","3943.8","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C165 H42 B4 Cl F100 N8 -","4","2","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","0.71073","MoKα","","0.0857","0.0651","","","0.1758","0.1963","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515178","7.7512","0.0003","8.1381","0.0003","8.4256","0.0003","69.558","0.003","79.669","0.003","74.031","0.003","476.75","0.03","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C23 H22 O5 -","1","1","","Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels‒Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity","Chemical Science","2012","3","6","1879","","10.1039/c2sc20096a","","","1.54184","CuKα","","0.0279","0.0278","","","0.0736","0.0737","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515179","11.846","0.003","6.8888","0.0016","12.417","0.003","90","","99.999","0.002","90","","997.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0464","0.0388","","","0.1243","0.1373","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515180","9.013","0.016","9.018","0.015","28.9","0.05","87.731","0.019","87.947","0.019","89.841","0.019","2346","7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","4","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.2098","0.1342","","","0.3925","0.4396","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515181","7.089","0.002","15.631","0.005","13.579","0.004","90","","92.518","0.003","90","","1503.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S2 -","- C16 H18 O2 S2 -","- C64 H72 O8 S8 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0463","0.0359","","","0.1187","0.1346","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515182","19.372","0.013","5.761","0.004","24.488","0.016","90","","90","","90","","2733","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.1562","0.0928","","","0.2324","0.2847","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515183","11.177","0.002","11.228","0.002","13.582","0.003","69.214","0.01","82.733","0.011","82.327","0.01","1573.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B F16 O P -","- C30 H32 B F16 O P -","- C60 H64 B2 F32 O2 P2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1447","0.0569","","","0.0982","0.1213","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515184","16.1479","0.0008","9.9549","0.0005","15.5394","0.0007","90","","109.713","0.002","90","","2351.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 B F16 O P -","- C21 H14 B F16 O P -","- C84 H56 B4 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0621","0.0428","","","0.1032","0.1133","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515185","9.1801","0.0013","10.333","0.0014","13.984","0.002","82.073","0.008","74.808","0.007","80.634","0.008","1256.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H14 B F16 N O -","- C25 H14 B F16 N O -","- C50 H28 B2 F32 N2 O2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1189","0.0694","","","0.1718","0.1995","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515186","11.1705","0.0005","16.0049","0.0007","15.9286","0.0008","90","","95.113","0.002","90","","2836.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 B F16 N O -","- C27 H24 B F16 N O -","- C108 H96 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0724","0.0402","","","0.0827","0.0947","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515187","11.938","0.0009","15.0103","0.0012","16.2877","0.0013","108.689","0.004","100.946","0.004","90.15","0.004","2708.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H17 B Cl F16 N O -","- C25.5 H17 B Cl F16 N O -","- C102 H68 B4 Cl4 F64 N4 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1814","0.0839","","","0.2375","0.2899","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515188","9.4047","0.0007","11.0955","0.0008","25.2965","0.0019","90","","95.391","0.004","90","","2628","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 B F16 N O -","- C26 H18 B F16 N O -","- C104 H72 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0831","0.0458","","","0.0947","0.1089","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515189","10.7955","0.0004","17.5647","0.0006","20.0048","0.0007","67.706","0.001","77.881","0.001","89.561","0.001","3420.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 B F16 N2 O -","- C29 H22 B F16 N2 O -","- C116 H88 B4 F64 N8 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1217","0.0856","","","0.2303","0.2489","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515190","17.2019","0.0006","14.7018","0.0006","16.5689","0.0006","90","","96.135","0.001","90","","4166.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43.99 H27.98 B Cl1.98 F16 O P -","- C43.989 H27.978 B Cl1.978 F16 O P -","- C175.956 H111.912 B4 Cl7.912 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0633","0.0429","","","0.1041","0.1155","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515191","11.1411","0.0007","17.8797","0.0011","14.7969","0.001","90","","98.591","0.004","90","","2914.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B F16 N O -","- C28 H28 B F16 N O -","- C112 H112 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0969","0.0461","","","0.0979","0.1177","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515192","23.862","0.0019","23.862","0.0019","14.686","0.0019","90","0.002","90","0.002","120","0.002","7241.8","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 N12 O Zn -","- C8 H10 N12 O Zn -","- C144 H180 N216 O18 Zn18 -","18","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian","N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery","Chemical Science","2012","3","6","2114","","10.1039/c2sc00017b","","","0.71069","MoKα","","0.0509","0.0403","","","0.1377","0.1462","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515193","12.575","0.002","13.205","0.003","14.031","0.003","112.044","0.003","95.622","0.003","104.585","0.003","2041.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 N6 O2 S6 Zn2 -","- C32 H26 N6 O2 S6 Zn2 -","- C64 H52 N12 O4 S12 Zn4 -","2","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1127","0.0548","","","0.0878","0.0957","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515194","10.75","0.004","19.725","0.007","15.634","0.005","90","","91.283","0.006","90","","3314","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 B N6 O3 Zn -","- C31 H47 B N6 O3 Zn -","- C124 H188 B4 N24 O12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1079","0.049","","","0.0867","0.1067","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515195","22.3176","0.0017","10.4067","0.0008","17.2733","0.0014","90","","99.229","0.001","90","","3959.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N6 O3 S6 Zn2 -","- C39 H30 N6 O3 S6 Zn2 -","- C156 H120 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1231","0.0659","","","0.1536","0.1801","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515196","8.928","0.0007","14.6268","0.0012","18.4948","0.0015","90","","103.861","0.001","90","","2344.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N3 O3 S3 Zn -","- C23 H19 N3 O3 S3 Zn -","- C92 H76 N12 O12 S12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0778","0.0412","","","0.0799","0.0924","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515197","31.669","0.006","8.7545","0.0018","28.505","0.006","90","","108.802","0.003","90","","7481","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 N6 O3.5 S6 Zn2 -","- C35 H28 N6 O3.5 S6 Zn2 -","- C280 H224 N48 O28 S48 Zn16 -","8","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0855","0.0451","","","0.1053","0.1219","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515198","12.632","0.003","15.474","0.003","22.903","0.005","93.59","0.003","96.263","0.003","107.39","0.003","4225.2","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.75 H36 N6 O2 S6 Zn2 -","- C40.75 H36 N6 O2 S6 Zn2 -","- C163 H144 N24 O8 S24 Zn8 -","4","2","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1762","0.0631","","","0.1477","0.1867","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515199","8.8656","0.0009","28.048","0.003","14.4431","0.0015","90","","102.816","0.002","90","","3502","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N6 O3 S6 Zn2 -","- C33 H24 N6 O3 S6 Zn2 -","- C132 H96 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1413","0.0559","","","0.0879","0.1129","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515200","22.76","0.03","7.558","0.009","31.61","0.05","90","","97.626","0.019","90","","5389","13","120","2","120","2","","","","","","","Cally Haynes","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 K2 N6 O18 -","- C48 H72 K2 N6 O18 -","- C192 H288 K8 N24 O72 -","4","1","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.6889","Synchrotron","","0.3426","0.1183","","","0.2544","0.4094","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515201","19.3998","0.0017","20.67","0.002","16.7096","0.0011","90","","112.026","0.004","90","","6211.4","0.9","120","2","120","2","","","","","","","Cally Haynes","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H104 N8 O10 P2 -","- C56 H104 N8 O10 P2 -","- C224 H416 N32 O40 P8 -","4","0.5","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.71073","MoKα","","0.1719","0.076","","","0.1636","0.2048","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515205","10.7223","0.0005","21.7779","0.0013","16.3387","0.0007","90","","105.321","0.004","90","","3679.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0429","0.034","","","0.0789","0.0836","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515206","10.7119","0.0004","21.742","0.0012","16.4105","0.0006","90","","105.404","0.004","90","","3684.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0407","0.0328","","","0.0771","0.0814","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515207","10.7245","0.0005","21.8948","0.0015","16.3488","0.0008","90","","105.251","0.005","90","","3703.7","0.4","190","2","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0546","0.0417","","","0.1001","0.1092","","","","","","0.949","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515208","10.786","0.008","22.362","0.017","16.405","0.012","90","","104.945","0.009","90","","3823","5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0618","0.0465","","","0.1399","0.1521","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515209","10.7248","0.0005","22.0346","0.0011","16.3099","0.0008","90","","105.166","0.001","90","","3720.1","0.3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0606","0.0454","","","0.1312","0.1408","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515210","10.7075","0.0007","21.8698","0.0014","16.3273","0.001","90","","105.309","0.001","90","","3687.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0572","0.0455","","","0.1341","0.1422","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515211","10.6878","0.0007","21.7334","0.0014","16.3349","0.001","90","","105.419","0.001","90","","3657.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0563","0.0472","","","0.1207","0.1262","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515212","11.125","0.0017","15.392","0.002","15.758","0.002","74.695","0.003","77.903","0.003","70.463","0.003","2430.9","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 N5 O12 Pd2 -","- C50 H55 N5 O12 Pd2 -","- C100 H110 N10 O24 Pd4 -","2","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0507","0.0387","","","0.0932","0.0993","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515213","8.435","0.0006","10.2678","0.0005","13.5105","0.0007","77.953","0.004","76.502","0.005","72.666","0.005","1073.86","0.11","109.9","","109.9","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","1","0.5","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0399","0.0367","","","0.0919","0.0942","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515214","47.4181","0.0014","11.0136","0.0003","17.7382","0.0006","90","","107.608","0.003","90","","8829.7","0.5","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Cl2 N O6 P Pd -","- C41 H40 Cl2 N O6 P Pd -","- C328 H320 Cl16 N8 O48 P8 Pd8 -","8","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0407","0.0373","","","0.1018","0.1038","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515215","10.5351","0.0007","9.7782","0.0006","15.3104","0.001","90","","90.555","0.001","90","","1577.12","0.18","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 N3 O4 Pd -","- C12 H25 N3 O4 Pd -","- C48 H100 N12 O16 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0371","0.028","","","0.0595","0.0626","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515216","10.337","0.002","15.431","0.003","19.611","0.004","82.82","0.03","84.35","0.03","82.95","0.03","3069.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.71073","MoKα","","0.1905","0.1146","","0.1725","0.1167","0.1167","","","","","","1.1051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515217","11.998","0.002","14.379","0.003","19.482","0.004","82.891","0.006","87.456","0.005","76.474","0.005","3242.3","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.085","0.0704","","0.1331","0.1272","0.1331","","","","","","0.9973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515218","10.038","0.011","18.807","0.018","19.38","0.02","78.31","0.04","84.46","0.04","82.55","0.04","3543","6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.1284","0.1106","","0.2667","0.2531","0.2667","","","","","","0.9073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515219","11.254","0.003","16.718","0.004","19.85","0.004","83.634","0.006","79.865","0.004","87.849","0.007","3653.1","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0937","0.0769","","0.168","0.1594","0.168","","","","","","0.9953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515220","15.4354","0.0008","16.6155","0.0009","21.9618","0.0012","98.915","0.001","98.974","0.001","93.126","0.001","5478.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C236 H235 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6943","synchrotron","","0.1354","0.0915","","0.1316","0.1069","0.1069","","","","","","1.0451","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515221","12.428","0.004","14.323","0.005","21.854","0.008","80.953","0.008","87.36","0.011","69.226","0.011","3592","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0953","0.0796","","0.204","0.188","0.204","","","","","","1.0002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515222","8.5307","0.0004","9.5523","0.0005","30.0128","0.0013","90","","90","","90","","2445.7","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O5 -","- C28 H28 N4 O5 -","- C112 H112 N16 O20 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0562","0.0402","","","0.1084","0.1404","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515223","10.6627","0.0004","13.0584","0.0005","17.7049","0.0006","90","","90","","90","","2465.19","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O3.35 Pd -","- C26 H25 N3 O3.352 Pd -","- C104 H100 N12 O13.408 Pd4 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0263","0.0231","","","0.049","0.0504","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515225","9.9798","0.0005","16.4442","0.001","24.1424","0.0014","90","","90","","90","","3962","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C134 Cl6 D2 F28 -","- C145.7 Cl5 F28 -","- C291.4 Cl10 F56 -","2","0.25","","Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H.","Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated","Chemical Science","2012","3","5","1399","","10.1039/c2sc01133f","","","0.41328","synchrotron","","0.1168","0.0895","","","0.2562","0.2951","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515226","8.45","0.0006","11.0814","0.0007","32.443","0.003","90","","90","","90","","3037.9","0.4","110","2","110","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 Fe N2 O4.41 P -","- C35 H33 Fe N2 O4.408 P -","- C140 H132 Fe4 N8 O17.632 P4 -","4","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0796","0.0549","","","0.1227","0.1319","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515227","7.0453","0.0003","24.2072","0.0008","9.1599","0.0004","90","","109.031","0.003","90","","1476.81","0.11","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Fe N2 O4 P -","- C34 H31 Fe N2 O4 P -","- C68 H62 Fe2 N4 O8 P2 -","2","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.057","0.0576","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515228","14.4225","0.0011","13.237","0.0012","9.0745","0.0008","90","","102.821","0.008","90","","1689.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl3 N5 Os -","- C14 H12 Cl3 N5 Os -","- C56 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.54184","CUKα","","0.0357","0.0316","","","0.0898","0.0915","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515229","10.314","0.005","15.45","0.006","8.562","0.005","90","","96.39","0.05","90","","1355.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl3 N5 Os -","- C8 H12 Cl3 N5 Os -","- C32 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0216","0.0192","","","0.0418","0.0423","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515230","10.466","","14.595","","10.063","","90","","92.79","","90","","1535.31","","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl3 N5 Os -","- C10 H16 Cl3 N5 Os -","- C40 H64 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.5418","CuKα","","0.0181","0.0181","","","0.0459","0.0459","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515231","10.4137","0.0003","11.0728","0.0003","11.4646","0.0003","87.628","0.002","70.662","0.002","66.25","0.002","1135.25","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl3 N5 Os -","- C16 H16 Cl3 N5 Os -","- C32 H32 Cl6 N10 Os2 -","2","1","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0197","0.0174","","","0.0497","0.05","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515232","24.2","0.003","13.427","0.0016","16.2572","0.0019","90","","95.747","0.002","90","","5256","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H27 Cl F6 N2 Rh Sb -","- C23.5 H27 Cl F6 N2 Rh Sb -","- C188 H216 Cl8 F48 N16 Rh8 Sb8 -","8","2","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.0684","0.0636","","","0.1524","0.1565","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515233","18.507","0.007","10.873","0.004","17.673","0.007","90","","103.416","0.008","90","","3459","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 F6 N2 O2 Rh S Sb -","- C35 H36 F6 N2 O2 Rh S Sb -","- C140 H144 F24 N8 O8 Rh4 S4 Sb4 -","4","1","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.1336","0.1045","","","0.1633","0.177","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515234","19.21","0.004","20.782","0.004","25.12","0.005","90","","90","","90","","10028","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H109 F30 N16 O10 P -","- C86 H109 F30 N16 O10 P -","- C344 H436 F120 N64 O40 P4 -","4","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.0701","0.0542","","","0.1036","0.1094","","","","","","1.482","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515235","13.939","0.002","14.194","0.005","14.511","0.003","93.624","0.003","118.198","0.002","96.509","0.003","2491.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 F15 N8 O4 -","- C43 H54 F15 N8 O4 -","- C86 H108 F30 N16 O8 -","2","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.1072","0.0633","","","0.1769","0.2107","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515236","7.9976","0.001","30.448","0.004","13.5205","0.0018","90","","96.2528","0.0005","90","","3272.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","dibenzoborole","dibenzoborole","","- C21 H19 B -","- C21 H19 B -","- C168 H152 B8 -","8","2","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0528","0.0484","","","0.1143","0.1182","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515237","22.546","0.004","22.546","0.004","7.1203","0.0013","90","","90","","90","","3619.4","1.1","123","2","123","2","","","","","","","","4","P 4/n :2","-P 4a","85","(indolo)(benzo)borole","(indolo)(benzo)borole","","- C24 H22 B N -","- C24 H22 B N -","- C192 H176 B8 N8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0614","0.0597","","","0.1343","0.1355","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515238","25.956","0.008","8.077","0.003","16.85","0.005","90","","105.859","0.0011","90","","3398.1","1.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzofrano)(benzo)borole","(benzofrano)(benzo)borole","","- C23 H19 B O -","- C23 H19 B O -","- C184 H152 B8 O8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0745","0.0654","","","0.1669","0.1748","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515239","32.132","0.014","7.89","0.003","14.955","0.007","90","","106.728","0.007","90","","3631","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzothieno)(benzo)borole","(benzothieno)(benzo)borole","","- C23 H19 B S -","- C23 H19 B S -","- C184 H152 B8 S8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0883","0.0748","","","0.1841","0.1943","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515240","4.4289","0.0004","9.6455","0.0018","17.6718","0.0018","101.395","0.008","95.279","0.008","92.673","0.007","735.28","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H23 Cl N6 -","- C11 H23 Cl N6 -","- C22 H46 Cl2 N12 -","2","1","","Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi","Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains","Chemical Science","2012","3","11","3227","","10.1039/c2sc20871g","","","0.71073","MoKα","","0.1011","0.0772","","","0.1406","0.1493","","","","","","1.236","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515241","16.242","0.0013","18.9077","0.0016","19.5236","0.0016","90","","94.318","0.001","90","","5978.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 B F4 N3 O8 -","- C67 H74 B F4 N3 O8 -","- C268 H296 B4 F16 N12 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1417","0.0763","","","0.1953","0.2443","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515242","14.1231","0.0017","23.13","0.003","26.377","0.003","90","","100.575","0.002","90","","8470.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H114 N4 O10 -","- C92 H98 N4 O8 -","- C368 H392 N16 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2292","0.169","","","0.3701","0.407","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515243","13.833","0.002","29.043","0.004","38.755","0.006","90","","97.751","0.002","90","","15428","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76.5 H96.5 B2 Cl1.5 F8 N4 O8 -","- C76 H96 B2 F8 N4 O8 -","- C608 H768 B16 F64 N32 O64 -","8","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2103","0.1356","","","0.3416","0.3923","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515244","21.517","0.003","39.753","0.005","11.1884","0.0015","90","","96.934","0.002","90","","9500","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H107.5 B2 Cl1.5 F8 N5 O12 -","- C89.49 H107.47 B2 Cl1.5 F8 N4.99 O11.98 -","- C357.96 H429.88 B8 Cl6 F32 N19.96 O47.92 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2158","0.1563","","","0.2932","0.3319","","","","","","1.153","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515245","14.951","0.003","16.589","0.003","9.3553","0.0016","100.333","0.002","92.296","0.002","91.691","0.002","2279.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","1","0.5","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1228","0.0985","","","0.2636","0.2861","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515246","5.4774","0.0013","10.39","0.002","25.084","0.006","90","","90","","90","","1427.5","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0408","0.0392","","","0.0961","0.0972","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515247","5.5219","0.0008","12.136","0.0017","23.04","0.003","90","","90","","90","","1544","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0334","0.0324","","","0.0833","0.0843","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515248","10.2817","0.0007","10.9413","0.0007","15.5048","0.0011","88.673","0.003","82.244","0.002","67.515","0.002","1596.1","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F18 N O6 -","- C23 H23 Cu F18 N O6 -","- C46 H46 Cu2 F36 N2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0985","0.1067","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515249","9.9155","0.0006","10.9991","0.0006","15.6366","0.0009","83.547","0.003","90.332","0.003","70.468","0.003","1595.32","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F18 N Ni O6 -","- C23 H23 F18 N Ni O6 -","- C46 H46 F36 N2 Ni2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0555","0.0442","","","0.0977","0.1028","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515250","10.3786","0.0013","10.8425","0.0014","15.1786","0.0019","86.056","0.002","80.156","0.002","67.947","0.002","1559.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 F18 N O6 Zn -","- C23 H23 F18 N O6 Zn -","- C46 H46 F36 N2 O12 Zn2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0549","0.039","","","0.0957","0.1042","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515251","11.5841","0.0003","12.0774","0.0004","12.1591","0.0003","63.859","0.001","71.425","0.001","64.501","0.001","1360.82","0.07","200","2","199.98","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cu F12 N O6 S -","- C21 H15 Cu F12 N O6 S -","- C42 H30 Cu2 F24 N2 O12 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0462","0.0376","","","0.131","0.1406","","","","","","1.129","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515252","10.3431","0.0004","9.0814","0.0004","10.9394","0.0004","90","","102.94","0.002","90","","1001.44","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C46 H40 Cl2 N2 O4 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0279","0.0268","","","0.0625","0.0631","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515253","11.9219","0.0004","12.6553","0.0004","13.531","0.0004","90","","106.461","0.002","90","","1957.82","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","jn203b","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C92 H80 Cl4 N4 O8 S4 -","4","2","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0426","0.0343","","","0.0778","0.0819","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515254","30.5539","0.0005","30.5539","","30.5539","","90","","90","","90","","28523.3","0.5","100","2","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C8 H10 Cd N4 -","- C7.5 H10 Cd N4 -","- C360 H480 Cd48 N192 -","48","0.5","","Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T.","Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange","Chemical Science","2012","3","11","3256","","10.1039/c2sc20558k","","","1.54184","CuKα","","0.0942","0.0673","","","0.2216","0.2352","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515255","7.3754","0.0002","11.0558","0.0003","9.6355","0.0003","90","","105.863","0.0017","90","","755.77","0.04","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N O2 -","- C8 H12 N O2 -","- C32 H48 N4 O8 -","4","1","","Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu","Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines","Chemical Science","2012","3","11","3249","","10.1039/c2sc20699d","","","1.54187","CuKα","","0.0577","0.0414","","","0.0964","0.1173","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515256","43.03","0.002","43.03","0.002","43.03","0.002","90","","90","","90","","79674","6","100","2","100","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","MMPF-4","","","- C156 H60 N12 O50 Zn19 -","- C156 H60 N12 O50 Zn19 -","- C1248 H480 N96 O400 Zn152 -","8","0.166667","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","0.41328","synchrotron","","0.1429","0.1163","","","0.2742","0.2905","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515257","22.521","0.015","22.521","0.015","22.521","0.015","90","","90","","90","","11423","13","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","MMPF-5","","","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","1","0.0208333","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","1.54178","CuKα","","0.1067","0.0816","","","0.2268","0.2483","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515258","32.152","0.003","32.152","0.003","31.611","0.003","90","","90","","120","","28300","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C169.5 H273 Mn7 N18 O37.5 -","- C169.5 H262.5 Mn7 N18 O37.5 -","- C1017 H1575 Mn42 N108 O225 -","6","0.333333","","Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten","Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet","Chemical Science","2012","3","9","2868","","10.1039/c2sc20649h","","","0.71073","MoKα","","0.0667","0.0551","","","0.1458","0.1669","","","","","","1.129","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515259","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C53.528 H67.584 N11 O12.8618 -","- C107.056 H135.168 N22 O25.7236 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515260","23.1428","0.0013","17.9913","0.001","27.126","0.002","90","","97.895","0.001","90","","11187.4","1.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C104 H118 N22 O20 -","- C104 H118 N22 O20 -","- C416 H472 N88 O80 -","4","0.5","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.1217","0.0783","","","0.2038","0.218","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515261","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C51.4132 H58.1198 N10.7066 O10 -","- C102.826 H116.24 N21.4132 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515262","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C46.5868 H50.8802 N8.2934 O10 -","- C93.1736 H101.76 N16.5868 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515263","31.769","0.002","20.0818","0.0012","24.852","0.002","90","","129.585","0.003","90","","12219.2","1.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H110 Cl9 N7 S24 -","- C108 H106 Cl5 N7 S24 -","- C432 H424 Cl20 N28 S96 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2891","0.1086","","","0.2212","0.2479","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515264","28.3045","0.0009","24.6469","0.0008","17.5652","0.0006","90","","90","","90","","12253.8","0.7","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C110 H127 Cl3 N6 S20 -","- C109 H132 Cl N6 S20 -","- C436 H528 Cl4 N24 S80 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","1.5418","CuKα","","0.152","0.0874","","","0.2161","0.2662","","","","","","1.651","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515265","29.858","0.006","14.168","0.003","21.609","0.004","90","","90","","90","","9141","3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C79 H85 Cl8 N5 S16 -","- C79.5 H80 Cl8 N5 S16 -","- C318 H320 Cl32 N20 S64 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2526","0.1431","","","0.3074","0.3361","","","","","","1.673","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515266","11.8651","0.0004","11.5596","0.0003","15.509","0.0006","90","","112.201","0.004","90","","1969.45","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cd N2 -","- C18 H36 Cd N2 -","- C72 H144 Cd4 N8 -","4","1","","Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D.","Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium‒cadmium transmetallation?","Chemical Science","2012","3","9","2700","","10.1039/c2sc20392h","","","0.71073","MoKα","","0.042","0.0284","","","0.0512","0.0555","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515267","20.8494","0.0019","10","0.0007","13.5537","0.001","90","","90","","90","","2825.9","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H28 N6 Si -","- C32 H28 N6 Si -","- C128 H112 N24 Si4 -","4","0.5","","Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong","What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission","Chemical Science","2012","3","9","2737","","10.1039/c2sc20382k","","x-ray","1.5418","CuKα","","0.0588","0.0413","","","0.1049","0.1148","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515268","11.3125","0.0002","12.0218","0.0002","13.7304","0.001","102.179","0.007","107.108","0.008","93.227","0.007","1730.44","0.17","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","4","","Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A.","Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis","Chemical Science","2012","3","1","121","","10.1039/c1sc00441g","","","1.54187","CuKα","","","0.0562","","","","0.1611","","","","","","1.088","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515270","7.4734","0.0019","46.036","0.012","6.1199","0.0016","90","","90","","90","","2105.5","0.9","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O -","- C24 H25 Br N2 O -","- C96 H100 Br4 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li","Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles","Chemical Science","2012","3","1","205","","10.1039/c1sc00517k","","","0.71073","MoKα","","0.0819","0.075","","","0.1864","0.1938","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515271","30.1073","0.0006","18.082","0.0003","22.4608","0.0004","90","","106.257","0.001","90","","11738.8","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.5 H36 B F24 N5 P -","- C67.5 H36 B F24 N5 P -","- C540 H288 B8 F192 N40 P8 -","8","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.122","0.0759","","","0.1433","0.1619","","","","","","1.001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515272","29.5322","0.0005","10.3705","0.0002","41.5808","0.0008","90","","99.1602","0.0008","90","","12572.3","0.4","93","2","93","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C596 H178 Cl26 F192 N40 O8 P8 -","8","2","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1505","0.0993","","","0.2551","0.2961","","","","","","0.988","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515273","19.4591","0.0005","8.6913","0.0002","37.1609","0.0011","90","","94.5998","0.0018","90","","6264.6","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H30 F24 N5 P S -","- C76 H30 F24 N5 P S -","- C304 H120 F96 N20 P4 S4 -","4","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1038","0.0675","","","0.1293","0.15","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515274","10.1849","0.0005","14.9773","0.0008","17.6759","0.001","85.568","0.003","88.271","0.003","76.766","0.003","2616.7","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.75 H11 Cl3 F24 N6 O1.5 P -","- C57.749 H11 Cl2.996 F24 N6 O1.502 P -","- C115.498 H22 Cl5.992 F48 N12 O3.004 P2 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1922","0.119","","","0.2902","0.3747","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515275","15.8942","0.0005","16.2322","0.0005","17.6688","0.0006","89.748","0.001","72.741","0.002","63.537","0.001","3853.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C14 H21 N9 O6 -","- C14 H21 N9 O6 -","- C112 H168 N72 O48 -","8","8","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0536","0.044","","","0.1069","0.1117","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515276","6.8516","0.0004","26.1435","0.0015","12.6653","0.0007","90","","102.975","0.003","90","","2210.7","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C48 H140 N12 O60 S4 -","2","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0524","0.0437","","","0.1022","0.106","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515277","6.7453","0.0001","25.6806","0.0005","25.6822","0.0005","90","","90","","90","","4448.76","0.14","170","","170","","","","","","","","Synthesized by the authors. See text","5","C 2 2 21","C 2c 2","20","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C96 H280 N24 O120 S8 -","4","0.5","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.035","0.0335","","","0.1016","0.103","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515278","6.6138","0.0004","16.3922","0.001","23.9598","0.0014","101.113","0.003","92.328","0.003","95.176","0.003","2534","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","1","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0893","0.0766","","","0.1888","0.1971","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515358","7.0069","0.0004","12.8404","0.0007","12.4298","0.0007","90","","92.9276","0.0005","90","","1116.87","0.11","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cl2 Ru S -","- C10 H14 Cl2 Ru S -","- C40 H56 Cl8 Ru4 S4 -","4","1","","Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin","Direct observation of a cationic ruthenium complex for ethylene insertion polymerization","Chemical Science","2013","4","7","2902","","10.1039/c3sc50676b","","","0.71073","MoKα","","0.0163","0.0159","","","0.041","0.0413","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515359","6.8375","0.0003","13.5463","0.0005","12.8712","0.0005","90","","93.878","0.0004","90","","1189.44","0.08","88","2","88","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ru S -","- C12 H20 Ru S -","- C48 H80 Ru4 S4 -","4","1","","Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin","Direct observation of a cationic ruthenium complex for ethylene insertion polymerization","Chemical Science","2013","4","7","2902","","10.1039/c3sc50676b","","","0.71073","MoKα","","0.0179","0.0171","","","0.0418","0.0422","","","","","","1.092","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515360","13.987","0.007","8.17","0.004","24.959","0.012","90","","90","","90","","2852","2","100","2","100","2","","","","","","","Nathalie Busschaert","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 Cl N2 S -","- C13 H19 Cl N2 S -","- C104 H152 Cl8 N16 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1033","0.0914","","","0.1303","0.1342","","","","","","1.324","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515361","5.2833","0.0005","14.9019","0.0015","18.0119","0.0018","91.957","0.007","95.987","0.007","92.116","0.007","1408.4","0.2","100","2","100","2","","","","","","","Nathalie Busschaert Marco Wenzel","5","P -1","-P 1","2","","","","- C13 H19 N3 O2 S -","- C13 H19 N3 O2 S -","- C52 H76 N12 O8 S4 -","4","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0359","0.0321","","","0.0849","0.0874","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515362","7.466","0.003","8.049","0.003","13.472","0.005","82.276","0.009","82.154","0.01","63.734","0.008","716.7","0.5","100","2","100","2","","","","","","","Nathalie Busschaert Marco Wenzel","4","P -1","-P 1","2","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C28 H38 N6 S2 -","2","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1143","0.1018","","","0.2625","0.2781","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515363","10.731","0.003","8.475","0.002","16.092","0.004","90","","102.01","0.007","90","","1431.5","0.6","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N2 S -","- C14 H22 N2 S -","- C56 H88 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1123","0.098","","","0.3033","0.3108","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515364","11.0875","0.0008","7.4703","0.0006","37.579","0.003","90","","100.356","0.007","90","","3061.8","0.4","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C120 H176 N16 O16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1527","0.0864","","","0.2149","0.2537","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515365","13.298","0.008","13.278","0.006","8.673","0.004","90","","91.912","0.018","90","","1530.5","1.4","100","2","100","2","","","","","","","Nathalie Busschaert Stephen Moore","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F3 N2 S -","- C14 H19 F3 N2 S -","- C56 H76 F12 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0888","0.0549","","","0.1192","0.1325","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515366","17.3563","0.0008","7.8428","0.0003","21.0265","0.0015","90","","97.599","0.007","90","","2837","0.3","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N2 S -","- C13 H19 Br N2 S -","- C104 H152 Br8 N16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0523","0.0328","","","0.0662","0.0739","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515367","17.405","0.012","8.732","0.006","17.612","0.012","90","","90","","90","","2677","3","100","2","100","2","","","","","","","Nathalie Busschaert Samuel J. Bradberry","5","P c a 21","P 2c -2ac","29","","","","- C13 H19 F N2 S -","- C13 H19 F N2 S -","- C104 H152 F8 N16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0822","0.0693","","","0.1303","0.1367","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515368","5.553","0.004","9.157","0.008","30.91","0.03","90","","93.215","0.008","90","","1569","2","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C60 H88 N8 O8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0848","0.0724","","","0.1729","0.1805","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515369","8.39","0.01","9.689","0.011","19.62","0.02","93.19","0.02","101.167","0.018","90.09","0.03","1562","3","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P -1","-P 1","2","","","","- C15 H24 N2 O S -","- C15 H24 N2 O S -","- C60 H96 N8 O4 S4 -","4","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1467","0.097","","","0.1868","0.2111","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515370","11.4798","0.0008","8.4051","0.0006","15.6294","0.0011","90","","102.55","0.007","90","","1472.03","0.18","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I N2 S -","- C13 H19 I N2 S -","- C52 H76 I4 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0327","0.025","","","0.0541","0.0562","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515371","5.2392","0.0004","11.02","0.0009","14.5788","0.0011","75.946","0.005","79.884","0.006","79.501","0.006","795.2","0.11","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O S -","- C15 H19 F3 N2 O S -","- C30 H38 F6 N4 O2 S2 -","2","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0376","0.0331","","","0.0878","0.0952","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515372","36.04","0.005","4.347","0.005","9.59","0.005","90","0.005","95.3","0.005","90","0.005","1496","1.9","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 O S -","- C14 H22 N2 O S -","- C56 H88 N8 O4 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.6889","","","0.1509","0.0993","","","0.2443","0.2973","","","","","","0.953","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515373","13.07","0.02","13.28","0.03","8.885","0.018","90","","93.56","0.02","90","","1539","5","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 S -","- C15 H24 N2 S -","- C60 H96 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.6889","","","0.1794","0.1039","","","0.2559","0.3229","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515374","22.536","0.005","7.7393","0.0016","9.223","0.002","90","","98.488","0.007","90","","1591","0.6","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 S -","- C16 H26 N2 S -","- C64 H104 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1934","0.0788","","","0.1361","0.1688","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515375","7.756","0.006","10.12","0.007","37.38","0.03","90","","90","","90","","2934","4","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O S -","- C15 H22 N2 O S -","- C120 H176 N16 O8 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1142","0.097","","","0.2373","0.2504","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515377","12.181","0.0011","16.841","0.004","20.805","0.0014","90","","102.322","0.014","90","","4169.6","1.1","122","","122.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Biotin[6]uril","","- C70 H108 N12 O20 S6 -","- C70 H107.621 N12 O20 S6 -","- C140 H215.243 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.114","0.0758","","","0.201","0.2322","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515378","12.468","0.012","16.713","0.016","21.06","0.02","90","","103.28","0.05","90","","4271","7","151","2","151","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H114 I N12 Na O23 S6 -","- C70 H114 I N12 Na O23 S6 -","- C140 H228 I2 N24 Na2 O46 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.1125","0.0641","","","0.1375","0.159","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515379","13.004","0.002","15.655","0.002","20.436","0.003","90","","90.515","0.003","90","","4160.1","1","90","2","90.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Cl N4 Si3 Th -","- C33 H75 Cl N4 Si3 Th -","- C132 H300 Cl4 N16 Si12 Th4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","0.71073","MoKα","","0.0405","0.0332","","","0.0863","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515380","9.347","0.002","22.333","0.006","18.92","0.005","90","","92.508","0.004","90","","3945.7","1.7","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 N4 Si3 U -","- C33 H74 N4 Si3 U -","- C132 H296 N16 Si12 U4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","0.71073","MoKα","","0.124","0.111","","","0.2144","0.2195","","","","","","1.372","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515381","9.44392","0.00019","22.3863","0.0004","18.8042","0.0005","90","","92.5386","0.0019","90","","3971.58","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 N4 Si3 Th -","- C33 H74 N4 Si3 Th -","- C132 H296 N16 Si12 Th4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","1.5418","CuKα","","0.0294","0.0279","","","0.0679","0.0686","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515382","18.7387","0.0006","24.4559","0.0007","24.9335","0.0008","60.713","0.003","89.936","0.003","69.909","0.003","9163","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H82 N4 Si3 Th -","- C40 H82 N4 Si3 Th -","- C320 H656 N32 Si24 Th8 -","8","4","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","x-ray","1.54184","CuKα","","0.0678","0.0548","","","0.1324","0.1401","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515400","12.5666","0.0001","19.7682","0.0002","20.4056","0.0002","90","","107.382","0.001","90","","4837.65","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 B Ca F15 N2 O -","- C51 H50 B Ca F15 N2 O -","- C204 H200 B4 Ca4 F60 N8 O4 -","4","1","","Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine","Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis","Chemical Science","2014","5","7","2826","","10.1039/c4sc00885e","","","0.71073","MoKα","","0.0615","0.0388","","","0.0873","0.0974","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515401","25.258","0.0008","12.873","0.0004","34.507","0.001","90","","99.746","0.001","90","","11057.9","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.8 H50.6 B F15 Mg N2 O4 -","- C56.8 H50.6 B F15 Mg N2 O4 -","- C454.4 H404.8 B8 F120 Mg8 N16 O32 -","8","1","","Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine","Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis","Chemical Science","2014","5","7","2826","","10.1039/c4sc00885e","","","0.71073","MoKα","","0.1395","0.0761","","","0.1862","0.2228","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515402","9.371","0.002","9.447","0.002","27.755","0.007","84.533","0.006","83.63","0.007","88.365","0.009","2430.4","1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N4 O8 S4 -","- C52 H58 N4 O8 S4 -","- C104 H116 N8 O16 S8 -","2","1","","Wu, Guanglu; Thomas, Joice; Smet, Mario; Wang, Zhiqiang; Zhang, Xi","Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic counteranions determine aggregated structures","Chemical Science","2014","5","8","3267","","10.1039/c4sc00860j","","","0.71073","MoKα","","0.1244","0.0952","","","0.1939","0.2138","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515411","9.5922","0.0005","7.2501","0.0004","24.0793","0.0012","90","","95.81","0.002","90","","1665.98","0.15","200","","200","","","","","","","","local","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 -","- C21 H30 -","- C84 H120 -","4","1","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.1161","0.0485","","0.1134","0.0948","0.1134","","","","","","0.9114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515412","10.5317","0.0002","13.1456","0.0002","13.7434","0.0002","90","","90","","90","","1902.71","0.05","200","","200","","","","","","","","local","2","P b c n","-P 2n 2ab","60","","","","- C24 H34 -","- C24 H34 -","- C96 H136 -","4","0.5","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.0563","0.0442","","0.1291","0.1249","0.1291","","","","","","0.9501","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515414","21.8777","0.0007","24.4332","0.0008","8.9667","0.0002","90","","90","","90","","4793.1","0.2","120","2","120","2","","","","","","","Stephen Moore","4","P c c n","-P 2ab 2ac","56","","","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C192 H288 N32 O16 -","16","2","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.1841","0.1143","","","0.1725","0.2013","","","","","","1.153","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1515415","29.2158","0.0005","29.2158","0.0005","7.5897","0.0002","90","","90","","90","","6478.3","0.2","120","2","120","2","","","","","","","Calley Haynes","4","I 41/a :2","-I 4ad","88","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C224 H304 N48 S16 -","16","1","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.106","0.0815","","","0.1815","0.193","","","","","","1.059","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1515416","10.8887","0.0004","22.7188","0.0008","17.5682","0.0006","90","","95.413","0.001","90","","4326.6","0.3","100","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 N4 O2 Pd -","- C50 H56 N4 O2 Pd -","- C200 H224 N16 O8 Pd4 -","4","1","","Konnick, Michael M.; Decharin, Nattawan; Popp, Brian V.; Stahl, Shannon S.","O2 insertion into a palladium(ii)-hydride bond: Observation of mechanistic crossover between HX-reductive-elimination and hydrogen-atom-abstraction pathways","Chemical Science","2011","2","2","326","","10.1039/c0sc00392a","","","0.71073","MoKα","","0.0386","0.0301","","","0.0756","0.0784","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515417","15.022","0.003","18.047","0.004","20.367","0.004","105.35","0.004","111.153","0.004","100.049","0.004","4736.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H96 B Cl3 F24 N4 Ni2 -","- C100 H96 B Cl3 F24 N4 Ni2 -","- C200 H192 B2 Cl6 F48 N8 Ni4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.1157","0.069","","","0.1728","0.1866","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515418","13.729","0.005","17.963","0.006","20.822","0.007","69.525","0.006","73.169","0.006","82.761","0.006","4603","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C182 H192 B2 Cl6 F48 N8 Ni4 Si2 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0765","0.0493","","","0.1105","0.123","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515419","12.531","0.0011","17.5339","0.0015","21.5138","0.0018","106.672","0.001","104.999","0.002","91.05","0.002","4352","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C176 H168 B2 Cl2 F48 N8 Ni4 O4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0619","0.0464","","","0.1012","0.1064","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515420","20.61","0.003","12.802","0.0015","30.984","0.004","90","","95.837","0.002","90","","8132.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 B F24 N5 Ni -","- C74 H69 B F24 N5 Ni -","- C296 H276 B4 F96 N20 Ni4 -","4","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0792","0.0555","","","0.1402","0.1491","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515421","12.378","0.0007","11.7627","0.0007","24.4212","0.0014","90","","92.43","0.001","90","","3552.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.27 H24.8 Cl0.47 N2 -","- C22.2666 H24.7998 Cl0.4668 N2 -","- C178.133 H198.398 Cl3.7344 N16 -","8","2","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0738","0.0577","","","0.1353","0.1444","","","","","","1.008","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515422","8.9485","0.0005","12.2725","0.0007","17.1292","0.001","90","","93.113","0.001","90","","1878.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0505","0.0453","","","0.1115","0.1152","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515423","6.848","0.0014","11.736","0.002","12.384","0.003","65.95","0.03","79.94","0.03","76.84","0.03","881.2","0.4","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl2 N5 O2 Pt -","- C13 H17 Cl2 N5 O2 Pt -","- C26 H34 Cl4 N10 O4 Pt2 -","2","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0224","0.0205","","","0.05","0.0509","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515424","12.588","0.002","18.736","0.003","20.805","0.004","90","","106.39","0.02","90","","4707.4","1.5","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14.33 Cl2 N5 O0.67 Pt -","- C13 H13 Cl2 N5 O0.666667 Pt -","- C156 H156 Cl24 N60 O8 Pt12 -","12","3","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0806","0.0343","","","0.0693","0.0836","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515425","10.669","0.002","10.411","0.002","15.689","0.003","90","","108.89","0.03","90","","1648.8","0.6","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl2 N5 O4 Pt -","- C13 H13 Cl2 N5 O4 Pt -","- C52 H52 Cl8 N20 O16 Pt4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0201","0.0187","","","0.0479","0.0484","","","","","","1.188","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1515426","9.474","0.0003","7.1809","0.0002","27.9371","0.0008","90","","91.94","0.001","90","","1899.52","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl2 N5 O3 Pt S -","- C13 H19 Cl2 N5 O3 Pt S -","- C52 H76 Cl8 N20 O12 Pt4 S4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","1.54178","CuKα","","0.0483","0.0463","","","0.1183","0.12","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515427","14.7922","0.0003","17.7744","0.0004","18.0925","0.0004","90","","98.265","0.001","90","","4707.52","0.18","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H65 F3 Si2 -","- C57 H65 F3 Si2 -","- C228 H260 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1048","0.0812","","","0.2001","0.225","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515428","9.0009","0.0002","12.9917","0.0003","33.9922","0.001","90","","96.2183","0.0011","90","","3951.56","0.17","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","0.71073","MoKα","","0.1525","0.0587","","","0.1219","0.155","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515429","7.3935","0.0002","7.7475","0.0002","17.3713","0.0004","96.23","0.001","100.619","0.001","94.648","0.001","967.02","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","1","0.5","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0826","0.0736","","","0.19","0.1962","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515430","7.7521","0.0002","15.8341","0.0004","17.6273","0.0005","70.941","0.001","80.257","0.001","81.988","0.001","2007.37","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C90 H106 F6 Si4 -","2","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0781","0.0675","","","0.1606","0.1684","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515431","13.6256","0.0004","28.5329","0.0007","10.5392","0.0003","90","","101.974","0.001","90","","4008.26","0.19","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1192","0.0878","","","0.2056","0.2273","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515432","9.536","0.0015","10.7745","0.0017","21.214","0.003","87.903","0.002","87.712","0.003","88.606","0.002","2175.9","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(Bob)Ti(O2C12H4Me4) . 0.5 C6H14","(2,2'-Biphenylbis(4-p-tolyl-2,4-butanedionato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) hemihexane solvate","","- C53 H51 O6 Ti -","- C53 H51 O6 Ti -","- C106 H102 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.7749","synchrotron","","0.0677","0.04","","","0.0927","0.1056","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515433","12.0648","0.0005","12.6467","0.0005","14.4497","0.0014","109.368","0.0014","96.4954","0.0015","106.998","0.0017","1934.4","0.2","99","2","99","2","","","","","","","","7","P -1","-P 1","2","(Hob)Ti(O2C12H4Me4) . CDCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuteriochloroform solvate","","- C43 H39 Cl3 D N O6 Ti -","- C43 H40 Cl3 N O6 Ti -","- C86 H80 Cl6 N2 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0473","0.0374","","","0.0932","0.0993","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515434","11.2931","0.0004","13.344","0.0005","15.1141","0.0006","96.792","0.002","102.423","0.002","93.434","0.003","2200.11","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Hob)Ti(O2C12H4[NO2]4) . 2 CHCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetranitrobiphenyl-2,2'-diolato)titanium(IV) dichloroform solvate","","- C40 H29 Cl6 N5 O14 Ti -","- C40 H29 Cl6 N5 O14 Ti -","- C80 H58 Cl12 N10 O28 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0746","0.0449","","","0.102","0.115","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515435","12.3148","0.0013","13.2234","0.0014","20.372","0.002","90","","94.795","0.0016","90","","3305.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Hox)Ti(O2C12H4Me4) . CD2Cl2","(2,2'-Biphenylbis(N-methylacetohydroxamato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuterodichloromethane solvate","","- C35 H34 Cl2 D2 N2 O6 Ti -","- C35 H36 Cl2 N2 O6 Ti -","- C140 H144 Cl8 N8 O24 Ti4 -","4","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0392","0.0307","","","0.0792","0.0846","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515436","11.6322","0.0006","5.663","0.0003","13.3325","0.0006","90","","102.479","0.001","90","","857.51","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C42 H36 O4 S2 -","2","1","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0322","0.0316","","","0.0831","0.0835","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515437","10.4567","0.0003","14.5947","0.0004","16.071","0.0004","82.184","0.001","80.017","0.001","70.323","0.001","2266.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 I O4 S -","- C24 H20.5 I O4 S -","- C96 H82 I4 O16 S4 -","4","2","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0298","0.0262","","","0.0667","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515438","13.992","0.003","11.424","0.002","18.291","0.004","90","","101.06","0.03","90","","2869.4","1.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(trop2NH)(OOCCF3)] x [THF]","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine trifluoroacetate","","- C36 H31 F3 N Ni O3 -","- C36 H31 F3 N Ni O3 -","- C144 H124 F12 N4 Ni4 O12 -","4","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.0957","0.101","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515439","11.413","0.0011","12.0679","0.0011","14.4208","0.0013","98.677","0.002","95.682","0.002","114.432","0.002","1758.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nickel bis(5-H-dibenzo(a,d)cyclohepten-5-yl)-amine triphenylphosphane","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine triphenylphosphane","","- C48 H38 N Ni P -","- C48 H38 N Ni P -","- C96 H76 N2 Ni2 P2 -","2","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.053","0.0434","","","0.1099","0.1157","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515440","13.4561","0.0003","7.103","0.0002","13.8346","0.0004","90","","109.73","0.03","90","","1244.7","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-chlorophenyl-4'-nitrophenyl disulfide","4-chlorophenyl-4'-nitrophenyl disulfide","","- C12 H8 Cl N O2 S2 -","- C12 H8 Cl N O2 S2 -","- C48 H32 Cl4 N4 O8 S8 -","4","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.048","0.0348","","","0.0898","0.0955","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515441","7.6164","0.0002","5.7256","0.0002","14.7508","0.0005","90","","94.881","0.002","90","","640.93","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(4-methylphenyl)disulfide","bis(4-methylphenyl)disulfide","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.0503","0.038","","","0.0833","0.0901","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515442","35.2292","0.0014","20.7057","0.0007","34.2007","0.001","90","","104.74","0.002","90","","24126.5","1.5","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C254 H114 F24 Fe4 N34 O32 S16 -","- C148 H114 Fe4 N26 -","- C592 H456 Fe16 N104 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1441","0.1134","","","0.2964","0.3177","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515443","26.876","0.005","38.443","0.008","22.391","0.005","90","","94.44","0.03","90","","23065","8","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C169 H123 F45 Fe4 N36 O31 S10 -","- C159 H123 F15 Fe4 N31 O11 S5 -","- C636 H492 F60 Fe16 N124 O44 S20 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1465","0.1069","","","0.2794","0.3103","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515444","12.4376","0.0004","6.2473","0.0002","14.2135","0.0005","90","","93.459","0.002","90","","1102.4","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","HF111A9B9","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.0889","0.0975","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515445","13.0268","0.0005","6.8021","0.0003","12.7876","0.0006","90","","105.286","0.003","90","","1093.02","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF126A14cris","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0419","","","0.0868","0.1002","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515446","16.985","0.003","5.1183","0.0009","12.565","0.002","90","","103.577","0.003","90","","1061.8","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF176A10B15","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0541","0.0398","","","0.0954","0.1041","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515447","7.3695","0.0005","47.261","0.003","11.0525","0.0006","90","","90.47","0.004","90","","3849.3","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N O3 Si -","- C18 H31 N O3 Si -","- C144 H248 N8 O24 Si8 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1441","0.0846","","","0.159","0.1836","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515448","7.7628","0.0009","11.1348","0.0013","32.262","0.004","90","","90","","90","","2788.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.0582","0.0423","","","0.109","0.128","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515449","11.93","0.002","8.5702","0.0015","30.278","0.005","90","","90","","90","","3095.7","0.9","100","2","100","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1036","0.0644","","","0.1515","0.1788","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515450","8.2299","0.0002","9.6964","0.0002","23.9162","0.0006","90","","90","","90","","1908.52","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","FL008t17cris","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0623","0.0428","","","0.0887","0.0979","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515451","8.2075","0.0003","9.8258","0.0004","24.0803","0.0007","90","","90","","90","","1941.96","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","HF250a784","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0514","","","0.1023","0.111","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515452","17.027","0.003","9.5242","0.0019","18.442","0.004","90","","104.05","0.03","90","","2901.2","1.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 Cu N4 O4 S2 -","- C30 H20 Br2 Cu N4 O4 S2 -","- C120 H80 Br8 Cu4 N16 O16 S8 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.1035","0.0497","","","0.1119","0.1182","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515453","7.5438","0.0008","9.0878","0.0009","11.3719","0.0012","85.485","0.006","78.375","0.006","69.76","0.005","716.44","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Hdapp","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71069","MoKα","","0.0676","0.0459","","","0.1173","0.1281","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515454","12.965","0.0017","14.378","0.0018","12.9795","0.0016","90","","90.445","0.008","90","","2419.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hzapp","","","- C12.5 H15 N2 O3 -","- C12.5 H15 N2 O3 -","- C100 H120 N16 O24 -","8","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0809","0.043","","","0.0952","0.1124","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515455","12.997","0.0012","15.328","0.0017","9.0063","0.0008","90","","110.181","0.004","90","","1684.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cudapp2","","","- C30 H32 Cl6 Cu N4 O4 -","- C30 H32 Cl6 Cu N4 O4 -","- C60 H64 Cl12 Cu2 N8 O8 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0682","0.038","","","0.0854","0.1","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515456","11.368","0.002","11.457","0.002","12.809","0.002","67.679","0.01","76.787","0.011","74.165","0.011","1470","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Hbt6p","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0581","0.0386","","","0.0864","0.0947","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515457","8.2835","0.0004","13.979","0.0007","10.5581","0.0005","90","","90.255","0.002","90","","1222.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0453","0.0366","","","0.0882","0.0931","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515458","10.3006","0.0012","7.8737","0.001","13.7999","0.0016","90","","93.837","0.004","90","","1116.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0365","0.0332","","","0.086","0.0882","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515459","7.7458","0.0009","16.433","0.002","12.0999","0.0014","90","","103.182","0.004","90","","1499.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N4 O6 S2 -","- C28 H34 Cu N4 O6 S2 -","- C56 H68 Cu2 N8 O12 S4 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0434","0.0346","","","0.0934","0.0979","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515460","4.8231","0.0002","8.3044","0.0003","14.264","0.0006","96.566","0.002","97.473","0.002","92.996","0.002","561.44","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","1","0.5","","Iengo, Elisabetta; Pantoş, G. Dan; Sanders, Jeremy K. M.; Orlandi, Michele; Chiorboli, Claudio; Fracasso, Sandro; Scandola, Franco","A fully self-assembled non-symmetric triad for photoinduced charge separation","Chemical Science","2011","2","4","676","","10.1039/c0sc00520g","","","0.71073","MoKα","","0.1532","0.0966","","","0.2574","0.305","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515461","13.381","0.003","14.391","0.003","16.034","0.003","90","","111.16","0.03","90","","2879.4","1.2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 F6 N4 P Pt -","- C27 H31 F6 N4 P Pt -","- C108 H124 F24 N16 P4 Pt4 -","4","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0599","0.0372","","","0.0904","0.0994","","","","","","0.736","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515462","8.652","0.002","11.015","0.002","14.031","0.003","90.68","0.03","98.09","0.03","90.57","0.03","1323.7","0.5","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 I3 N4 Pt -","- C23 H23 I3 N4 Pt -","- C46 H46 I6 N8 Pt2 -","2","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0595","0.0407","","","0.1022","0.1095","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515463","18.526","0.004","22.046","0.004","23.559","0.005","90","","90","","90","","9622","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H46 F12 N8 P2 Pt2 -","- C47 H46 F12 N8 P2 Pt2 -","- C376 H368 F96 N64 P16 Pt16 -","8","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","1.54178","CuKα","","0.0539","0.0433","","","0.1026","0.1107","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515464","16.7865","0.0017","9.2933","0.0006","36.414","0.005","90","","91.02","0.012","90","","5679.8","1","173","2","173","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1435","0.0553","","","0.0946","0.1135","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515465","9.485","0.0008","9.683","0.0009","15.5796","0.0014","79.592","0.008","83.901","0.007","85.662","0.007","1397","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0573","0.0378","","","0.0823","0.0866","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515466","17.2911","0.001","9.0613","0.0005","18.1015","0.001","90","","94.72","0.006","90","","2826.5","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1703","0.0785","","","0.0949","0.109","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515467","9.1633","0.0008","28.882","0.003","19.778","0.002","90","","101.303","0.01","90","","5132.8","0.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 -","- C36 H26 -","- C288 H208 -","8","2","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1884","0.0752","","","0.1445","0.1753","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515468","9.4375","0.0008","9.5683","0.0007","15.5001","0.0012","83.076","0.006","81.063","0.007","85.554","0.007","1370.13","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H27 N -","- C38 H27 N -","- C76 H54 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0488","0.0404","","","0.1066","0.1105","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515469","9.3196","0.0005","9.3671","0.0005","14.8298","0.0008","88.746","0.004","86.17","0.004","75.274","0.004","1249.27","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0637","0.0453","","","0.1161","0.1247","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515470","11.0629","0.0004","13.661","0.0005","15.0564","0.0006","93.282","0.002","107.469","0.002","106.87","0.002","2050.98","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77.5 H86 Cl10.2 S10 -","- C77.47 H86 Cl10.192 S10 -","- C77.47 H86 Cl10.192 S10 -","1","0.5","","Zhang, Fan; Götz, Günther; Mena-Osteritz, Elena; Weil, Matthias; Sarkar, Biprajit; Kaim, Wolfgang; Bäuerle, Peter","Molecular and electronic structure of cyclo[10]thiophene in various oxidation states: polaron pair vs. bipolaron","Chemical Science","2011","2","4","781","","10.1039/c0sc00560f","","","0.71073","MoKα","","0.1242","0.0775","","","0.1857","0.2188","","","","","","1.032","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515471","25.617","0.004","71.86","0.012","26.909","0.005","90","","92.466","0.004","90","","49489","15","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C468 H298 Cl8 N16 Ni4 S4 -","- C468 H298 Cl8 N16 Ni4 S4 -","- C1872 H1192 Cl32 N64 Ni16 S16 -","4","0.5","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71073","MoKα","","0.178","0.1191","","","0.2915","0.3194","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515472","41.392","0.014","41.392","0.014","22.518","0.007","90","","90","","90","","38580","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C264 H288 N16 S4 Zn4 -","- C264 H288 N16 S4 Zn4 -","- C1056 H1152 N64 S16 Zn16 -","4","0.25","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71069","MoKα","","0.2196","0.086","","","0.211","0.2413","","","","","","0.715","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515473","7.7381","0.0004","7.317","0.0004","14.5532","0.0008","90","","91.323","0.002","90","","823.78","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C36 H42 N6 O4 S2 -","2","1","","Albrecht, Łukasz; Albrecht, Anna; Ransborg, Lars Krogager; Jørgensen, Karl Anker","Asymmetric organocatalytic [3 + 2]-annulation strategy for the synthesis of N-fused heteroaromatic compounds","Chemical Science","2011","2","7","1273","","10.1039/c1sc00122a","","x-ray","0.71073","MoKα","","0.0243","0.0239","","","0.0652","0.0656","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515474","7.8404","0.0007","10.9935","0.001","20.087","0.0018","90","","90","","90","","1731.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yin, Qin; You, Shu-Li","Chiral phosphoric acid-catalysed Friedel‒Crafts alkylation reaction of indoles with racemic spiro indolin-3-ones","Chemical Science","2011","2","7","1344","","10.1039/c1sc00190f","","","0.71073","MoKα","","0.0764","0.0459","","","0.1043","0.1173","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515475","8.4351","0.0009","28.233","0.003","8.7547","0.0009","90","","107.59","0.002","90","","1987.4","0.4","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Hf P -","- C22 H28 Hf P -","- C88 H112 Hf4 P4 -","4","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.0443","0.034","","","0.0819","0.0862","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515476","11.699","0.003","15.37","0.004","45.229","0.011","90","","90","","90","","8133","4","139","2","139","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H69 P5 Pt2 -","- C34 H69 P5 Pt2 -","- C272 H552 P40 Pt16 -","8","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.1243","0.0482","","","0.0799","0.0965","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515478","22.6849","0.0012","37.2467","0.0018","45.91","0.003","90","","90","","90","","38791","4","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C120 H196 Dy6 Mn12 N8 O93 -","- C116 H140 Dy6 Mn12 N8 O69 -","- C928 H1120 Dy48 Mn96 N64 O552 -","8","0.25","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.1483","0.0725","","","0.1795","0.2274","","","","","","0.919","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515479","19.7904","0.0005","21.4477","0.0004","26.7375","0.0006","95.344","0.001","97.864","0.001","115.293","0.001","10017.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H212 Dy6 Mn12 N8 O99 -","- C128 H137 Dy6 Mn12 N8 O71 -","- C256 H274 Dy12 Mn24 N16 O142 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.0746","0.0546","","","0.1539","0.1642","","","","","","1.134","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515480","19.8997","0.0009","21.3603","0.0011","26.7219","0.0012","95.001","0.001","97.626","0.001","115.09","0.001","10064.7","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H198 Mn12 N8 O90 Y6 -","- C127 H131 Mn12 N8 O71 Y6 -","- C254 H262 Mn24 N16 O142 Y12 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.2029","0.0868","","","0.2224","0.271","","","","","","0.855","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515481","16.022","0.005","10.006","0.002","17.448","0.004","90","","95.44","0.005","90","","2784.6","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N8 O2 -","- C29 H36 N8 O2 -","- C116 H144 N32 O8 -","4","2","","Fuentes, José A.; Lebl, Tomas; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Synthesis of organocatalysts using non-covalent chemistry; understanding the reactivity of ProNap, an enamine-type organocatalyst that can self assemble with complementary co-catalysts","Chemical Science","2011","2","10","1997","","10.1039/c1sc00299f","","","1.54178","CuKα","","0.0727","0.0588","","","0.148","0.1645","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515482","15.45","0.005","11.362","0.005","19.951","0.005","90","0.005","106.933","0.005","90","0.005","3350","2","113","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Co2 Mo O2 S4 -","- C34 H38 Co2 Mo O2 S4 -","- C136 H152 Co8 Mo4 O8 S16 -","4","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Tsukada, Satoru; Tada, Mizuki; Tsuneyuki, Shinji; Nishihara, Hiroshi","Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)","Chemical Science","2011","2","10","1960","","10.1039/c1sc00272d","","","0.71069","MoKα","","","0.0208","","","","0.0506","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515483","8.5511","0.0003","7.0723","0.0003","16.9235","0.0006","90","","93.189","0.003","90","","1021.88","0.07","233","2","233","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","anti-4,5-tetrahydro-2,3;6,7,2,3;6,7-tetrabenzoheptafulvalene","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.045","0.0345","","","0.0884","0.0925","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515484","10.0613","0.0008","15.6693","0.0008","17.3989","0.0012","90","","105.143","0.008","90","","2647.8","0.3","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","syn-2,3;4,5;6,7;2,3;4,5;6,7-hexabenzoheptafulvalene","","- C38 H24 -","- C38 H24 -","- C152 H96 -","4","1","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.0793","0.0532","","","0.1163","0.1377","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515485","10.9072","0.0005","5.7181","0.0002","12.633","0.0005","90","","108.259","0.005","90","","748.23","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 Mn3 O9 -","- C3 H3 Mn3 O9 -","- C12 H12 Mn12 O36 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0674","0.0348","","","0.0648","0.0797","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515486","5.8745","0.0003","7.4316","0.0005","7.9227","0.0005","90","","92.414","0.004","90","","345.57","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H3 Mn O3 -","- C2 H3 Mn O3 -","- C8 H12 Mn4 O12 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0434","0.0302","","","0.0669","0.0707","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515487","8.1023","0.0002","9.3777","0.0003","12.5161","0.0004","90","","103.948","0.002","90","","922.95","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Mn2 O6 -","- C6 H10 Mn2 O6 -","- C24 H40 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0367","0.0337","","","0.073","0.0755","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515488","8.1123","0.001","9.3629","0.0011","13.462","0.0018","90","","94.88","0.007","90","","1018.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn2 O6 -","- C7 H12 Mn2 O6 -","- C28 H48 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0992","0.0915","","","0.2423","0.252","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515489","5.0589","0.0002","10.5756","0.0006","19.1948","0.0008","79.883","0.003","87.442","0.003","85.762","0.003","1007.68","0.08","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H20 Mn4 O14 -","- C15 H20 Mn4 O14 -","- C30 H40 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0788","0.0667","","","0.158","0.1697","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515490","5.0585","0.0003","12.4647","0.0007","20.8241","0.0009","90.848","0.004","90.047","0.004","90.77","0.005","1312.75","0.12","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H32 Mn4 O14 -","- C21 H32 Mn4 O14 -","- C42 H64 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","1.5418","CuKα","","0.0807","0.0709","","","0.1955","0.2035","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515491","14.215","0.0004","9.7664","0.0003","16.4588","0.0005","90","","90","","90","","2284.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H35 Cl2 Cr N4 O10 -","- C15 H35 Cl2 Cr N4 O10 -","- C60 H140 Cl8 Cr4 N16 O40 -","4","0.5","","Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo","Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions","Chemical Science","2011","2","10","2057","","10.1039/c1sc00386k","","","0.71073","MoKα","","0.0531","0.0486","","","0.2021","0.2095","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515492","19.7916","0.0003","20.7295","0.0003","22.2512","0.0003","90.5711","0.0012","99.966","0.0013","117.623","0.0015","7923.7","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C158 H162 Cl6 N10 O6 Zn2 -","- C158 H162 Cl6 N10 O6 Zn2 -","- C316 H324 Cl12 N20 O12 Zn4 -","2","1","","Langton, Matthew J.; Matichak, Jonathan D.; Thompson, Amber L.; Anderson, Harry L.","Template-directed synthesis of π-conjugated porphyrin [2]rotaxanes and a [4]catenane based on a six-porphyrin nanoring","Chemical Science","2011","2","10","1897","","10.1039/c1sc00358e","","","1.5418","CuKα","","0.1253","0.1145","","0.3572","0.336","0.3572","","","","","","0.9654","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515494","12.5561","0.0005","12.803","0.0005","16.3869","0.0007","83.594","0.001","83.917","0.001","75.088","0.001","2521.48","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl2 N2 O5 -","- C26 H24 Cl2 N2 O5 -","- C104 H96 Cl8 N8 O20 -","4","2","","Ding, Miao; Zhou, Feng; Liu, Yun-Lin; Wang, Cui-Hong; Zhao, Xiao-Li; Zhou, Jian","Cinchona alkaloid-based phosphoramide catalyzed highly enantioselective Michael addition of unprotected 3-substituted oxindoles to nitroolefins","Chemical Science","2011","2","10","2035","","10.1039/c1sc00390a","","","0.71073","MoKα","","0.0607","0.046","","","0.1168","0.1326","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515495","21.9504","0.0013","8.4448","0.0005","18.7468","0.0011","90","","90","","90","","3475","0.4","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H56 Lu2 N2 -","- C38 H56 Lu2 N2 -","- C152 H224 Lu8 N8 -","4","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0173","0.0167","","","0.0405","0.0407","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515496","10.6716","0.0011","10.9978","0.0011","16.7386","0.0017","77.9317","0.0013","77.8776","0.0013","83.5536","0.0013","1873.4","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 N2 Y2 -","- C40 H60 N2 Y2 -","- C80 H120 N4 Y4 -","2","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0641","0.0459","","","0.1106","0.1189","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515497","9.217","0.005","11.524","0.004","15.597","0.006","100.75","0.014","105.128","0.017","110.659","0.017","1423.5","1.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S4 -","- C34 H28 S4 -","- C68 H56 S8 -","2","1","","Mitamura, Yukihiro; Yorimitsu, Hideki; Oshima, Koichiro; Osuka, Atsuhiro","Straightforward access to aryl-substituted tetrathiafulvalenes by palladium-catalysed direct C‒H arylation and their photophysical and electrochemical properties","Chemical Science","2011","2","10","2017","","10.1039/c1sc00372k","","","0.71075","MoKα","","0.0424","0.0342","","","0.0948","0.0992","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515498","29.1152","0.0008","11.5743","0.0003","15.8437","0.0004","90","","114.799","0.001","90","","4846.8","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 I2 N O4 S -","- C21 H31 I2 N O4 S -","- C168 H248 I16 N8 O32 S8 -","8","1","","Sampath, Magesh; Lee, Pei-Ying Beatrix; Loh, Teck-Peng","Phosphine-catalyzed one-pot isomerization of 3-alkynoates and [2 + 3]-cycloaddition with imines: formal synthesis of Securinega alkaloid (±)-allosecurinine","Chemical Science","2011","2","10","1988","","10.1039/c1sc00311a","","","0.71073","MoKα","","0.0471","0.0314","","","0.072","0.0798","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515499","6.1156","0.0012","21.353","0.004","15.092","0.003","90","","95.378","0.003","90","","1962.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O2 -","- C25 H18 Br N O2 -","- C100 H72 Br4 N4 O8 -","4","1","","Li, Bi-Jie; Shi, Zhang-Jie","Ir-catalyzed highly selective addition of pyridyl C‒H bonds to aldehydes promoted by triethylsilane","Chemical Science","2011","2","3","488","","10.1039/c0sc00419g","","","0.71073","MoKα","","0.0631","0.0565","","","0.1094","0.1126","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515500","7.298","0.0004","12.069","0.0004","16.9434","0.0005","90","","90","","90","","1492.37","0.11","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Khan, Hasan A.; Kou, Kevin G. M.; Dong, Vy M.","Nitrogen-directed ketone hydroacylation: Enantioselective synthesis of benzoxazecinones","Chemical Science","2011","2","3","407","","10.1039/c0sc00469c","","","0.71073","MoKα","","0.0544","0.0363","","","0.0771","0.0842","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515501","10.639","0.005","14.831","0.005","20.681","0.005","90","","96.24","0.015","90","","3244","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B F4 N2 O3 -","- C36 H41 B F4 N2 O3 -","- C144 H164 B4 F16 N8 O12 -","4","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.7015","synchrotron","","0.0479","0.0388","","0.0624","0.058","0.0624","","","","","","1.1999","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515502","8.641","0.002","12.453","0.003","16.039","0.003","91.073","0.004","92.167","0.01","100.384","0.011","1695.8","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 F6 N2 O2 -","- C41 H36 F6 N2 O2 -","- C82 H72 F12 N4 O4 -","2","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.71073","MoKα","","0.0486","0.0456","","0.08","0.0785","0.08","","","","","","1.1087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515503","10.061","0.01","10.107","0.009","30.25","0.03","94.45","0.03","97.31","0.04","95.24","0.04","3026","5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.6889","Synchrotron","","0.1182","0.1042","","0.2124","0.1993","0.2124","","","","","","1.0207","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515504","9.8471","0.0002","11.4921","0.0002","12.2245","0.0002","68.0681","0.001","89.3833","0.0009","85.0539","0.0008","1278.13","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0717","0.0592","","0.0796","0.0679","0.0679","","","","","","1.1314","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515505","23.7695","0.0004","11.2232","0.0002","24.0588","0.0005","90","","114.59","0.0009","90","","5836.11","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1201","0.0766","","0.2254","0.1963","0.2254","","","","","","0.9391","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515506","8.2914","0.0002","19.8515","0.0004","16.9016","0.0004","90","","97.5218","0.001","90","","2758.01","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F24 N8 O6 P4 -","- C40 H48 F24 N8 O6 P4 -","- C80 H96 F48 N16 O12 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0936","0.0745","","0.2086","0.1946","0.2086","","","","","","0.956","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515507","9.5897","0.0001","10.4314","0.0002","32.0723","0.0005","90","","97.2039","0.0007","90","","3182.99","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 F24 N8 O4 P4 -","- C52 H60 F24 N8 O4 P4 -","- C104 H120 F48 N16 O8 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0962","0.0622","","0.1538","0.1357","0.1538","","","","","","0.9884","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515508","16.7324","0.0003","20.1029","0.0003","17.8841","0.0003","90","","108.474","0.0007","90","","5705.66","0.17","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 F24 N10 O4 P4 -","- C46 H54 F24 N10 O4 P4 -","- C184 H216 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1162","0.0742","","0.2248","0.1933","0.2246","","","","","","0.8573","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515509","17.5254","0.0002","12.7345","0.0001","30.6082","0.0004","90","","90.6673","0.0006","90","","6830.59","0.13","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H64 F24 N10 O4 P4 -","- C66 H64 F24 N10 O4 P4 -","- C264 H256 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0502","","0.1591","0.119","0.1591","","","","","","0.8531","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515510","22.9688","0.001","18.0778","0.0006","21.4031","0.0007","90","","90","","90","","8887.1","0.6","150","","150","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C56.15 H47.03 Co1.58 F24 N8 O7.09 P4 -","- C56.154 H47.032 Co1.576 F24 N8 O7.092 P4 -","- C224.616 H188.128 Co6.304 F96 N32 O28.368 P16 -","4","0.25","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1821","0.1542","","0.2606","0.1803","0.1803","","","","","","1.0106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515511","10.192","0.0001","20.0159","0.0003","24.1601","0.0004","90","","90","","90","","4928.71","0.12","150","","150","","","","","","","","","5","P c m b","-P 2bc 2c","57","","","","- C44.4 H54.28 Cl4 N9.47 O5.47 -","- C44.404 H54.276 Cl4 N9.468 O5.468 -","- C177.616 H217.104 Cl16 N37.872 O21.872 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1013","0.0679","","0.2127","0.1932","0.2127","","","","","","0.9493","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515512","8.0143","0.0001","22.0345","0.0003","13.2696","0.0002","90","","93.0774","0.0005","90","","2339.91","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H52.71 N20.71 O4 -","- C46 H52.71 N20.71 O4 -","- C92 H105.42 N41.42 O8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.082","0.0553","","0.1487","0.1362","0.1487","","","","","","0.9538","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515513","9.1698","0.0002","16.1629","0.0003","23.2751","0.0005","101.433","0.0008","93.1531","0.0008","105.604","0.0009","3235.03","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C136 H157 N16 O38.5 -","- C136 H157.004 N16 O38.502 -","- C136 H157.004 N16 O38.502 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0532","","0.1551","0.1244","0.1551","","","","","","0.9619","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515514","34.1635","0.0006","12.097","0.0002","12.7837","0.0002","90","","106.831","0.0008","90","","5056.87","0.15","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Au Cl4 F6 N10 O2 P -","- C46 H50 Au Cl4 F6 N10 O2 P -","- C184 H200 Au4 Cl16 F24 N40 O8 P4 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0508","0.0378","","0.0914","0.0857","0.0914","","","","","","0.9639","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515515","12.9114","0.0003","10.3713","0.0003","12.8078","0.0003","90","","119.78","0.0012","90","","1488.57","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0358","0.0277","","0.0702","0.0663","0.0702","","","","","","0.9862","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515516","9.6916","0.0002","13.8803","0.0003","10.966","0.0003","90","","94.153","0.001","90","","1471.3","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0278","0.0229","","0.0565","0.054","0.0565","","","","","","0.9888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515517","29.669","0.0003","29.669","0.0003","29.669","0.0003","90","","90","","90","","26116.1","0.5","150","2","150","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C47 H49 Cl10.667 Fe4 N9 O4 -","- C47 H43 Cl10.668 Fe4 N9 O4 -","- C564 H516 Cl128.016 Fe48 N108 O48 -","12","0.25","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0578","0.0482","","","0.1299","0.1456","","","","","","1.187","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515518","21.7946","0.0006","21.7946","0.0006","21.7946","0.0006","90","","90","","90","","10352.5","0.5","150","2","150","2","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C132 H132 Cl4 F36 Fe5 N24 O12 P6 -","- C132 H108 Cl4 F36 Fe5 N24 O12 P6.0004 -","- C264 H216 Cl8 F72 Fe10 N48 O24 P12.0008 -","2","0.0833333","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0982","0.0598","","","0.1636","0.1783","","","","","","0.987","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515519","22.054","0.004","22.054","0.004","13.223","0.003","90","","90","","120","","5569.7","1.9","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","anti-5,5'-(1,2-ethenediylidene)bis-5H- dibenzo(a,d)cycloheptene and m-xylene","anti-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene and m-xylene","","- C104 H70 -","- C103.98 H60 -","- C311.94 H180 -","3","0.166667","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.1128","0.0586","","","0.1718","0.2087","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515520","8.0144","0.0005","20.9765","0.0011","12.7099","0.0007","90","","90","","90","","2136.7","0.2","296","2","296","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","syn-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","0.5","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.0684","0.0485","","","0.1277","0.1474","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515521","13.323","0.002","13.5457","0.0019","18.023","0.004","90","","98.623","0.017","90","","3215.8","1","112","","112","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Au N2 O2 -","- C29 H41 Au N2 O2 -","- C116 H164 Au4 N8 O8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1905","0.0988","","","0.2228","0.2437","","","","","","0.861","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515522","9.9439","0.0005","15.6363","0.0008","16.4516","0.0008","79.47","0.004","83.978","0.004","77.02","0.004","2445.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 Au N2 -","- C27 H29 Au N2 -","- C108 H116 Au4 N8 -","4","2","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1177","0.037","","","0.078","0.1025","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515523","8.327","0.002","29.402","0.004","8.849","0.001","90","","98.648","0.005","90","","2141.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Au N2 -","- C22 H27 Au N2 -","- C88 H108 Au4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1102","0.0612","","","0.1359","0.151","","","","","","0.875","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515524","9.1235","0.0014","7.999","0.002","34.742","0.012","90","","94.181","0.0018","90","","2528.7","1.1","116","","116","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Au I N2 -","- C27 H30 Au I N2 -","- C108 H120 Au4 I4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1467","0.1069","","","0.2494","0.2665","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515525","16.9075","0.0012","9.8602","0.0007","17.2281","0.0012","90","","113.997","0.002","90","","2623.9","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Au O2 P -","- C29 H32 Au O2 P -","- C116 H128 Au4 O8 P4 -","4","1","","Simonneau, Antoine; Jaroschik, Florian; Lesage, Denis; Karanik, Magdalena; Guillot, Régis; Malacria, Max; Tabet, Jean-Claude; Goddard, Jean-Philippe; Fensterbank, Louis; Gandon, Vincent; Gimbert, Yves","Tracking gold acetylides in gold(i)-catalyzed cycloisomerization reactions of enynes","Chemical Science","2011","2","12","2417","","10.1039/c1sc00478f","","x-ray","0.71073","MoKα","","0.0851","0.0631","","","0.1754","0.2057","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515526","34.0823","0.0007","5.4014","0.0001","16.6312","0.0003","90","","102.68","0.001","90","","2987","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C136 H144 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0385","0.0334","","","0.0869","0.09","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515527","12.3076","0.0003","9.776","0.0003","26.6952","0.0007","90","","90","","90","","3211.94","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0504","0.0407","","","0.1041","0.111","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515528","5.2071","0.0001","12.8881","0.0003","14.6972","0.0004","90","","90","","90","","986.32","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C32 H56 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0344","0.0333","","","0.0986","0.0997","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515529","14.5628","0.0004","6.4095","0.0002","16.6818","0.0004","90","","102.174","0.002","90","","1522.07","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0474","0.0379","","","0.0996","0.105","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515530","6.0485","0.0004","16.8765","0.0013","27.927","0.002","90","","90","","90","","2850.7","0.4","100","2","100","2","","","","","","","Aakarash Saxena","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O3 S Si -","- C30 H41 N O3 S Si -","- C120 H164 N4 O12 S4 Si4 -","4","1","","Saxena, Aakarsh; Lam, Hon Wai","Enantioselective rhodium-catalyzed arylation of electron-deficient alkenylarenes","Chemical Science","2011","2","12","2326","","10.1039/c1sc00521a","","","1.5418","CuKα","","0.049","0.0439","","","0.1088","0.113","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515531","24.233","0.016","11.685","0.008","20.507","0.013","90","","111.491","0.011","90","","5403","6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H55 N2 O17.5 -","- C63 H55 N2 O17.385 -","- C252 H220 N8 O69.54 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1507","0.0649","","","0.1185","0.1471","","","","","","0.998","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515532","11.0841","0.0002","13.3658","0.0002","17.321","0.0003","90","","90","","90","","2566.07","0.07","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N2 O9 -","- C27 H28 Cl2 N2 O9 -","- C108 H112 Cl8 N8 O36 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","1.54184","CuKα","","0.0305","0.0301","","","0.0904","0.0911","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515533","13.8836","0.0007","17.9623","0.001","18.7911","0.001","75.44","0.002","88.26","0.002","85.425","0.002","4520.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C27 H26 F12 N2 P2 -","- C27 H26 F12 N2 P2 -","- C162 H156 F72 N12 P12 -","6","3","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1328","0.0733","","","0.2068","0.2488","","","","","","0.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515534","9.074","0.0006","16.546","0.0011","20.709","0.0017","90","","109.934","0.006","90","","2922.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 N2 O6 S2 -","- C29 H26 F6 N2 O6 S2 -","- C116 H104 F24 N8 O24 S8 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.0528","0.0416","","","0.1027","0.1119","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515538","12.518","0.005","18.378","0.005","20.119","0.005","97.003","0.005","102.035","0.005","107.893","0.005","4221","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H76 F15 N8 O22 P Pd S3 -","- C74 H76 F15 N8 O22 P Pd S3 -","- C148 H152 F30 N16 O44 P2 Pd2 S6 -","2","1","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.194","0.1162","","","0.3326","0.3874","","","","","","1.299","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515539","12.0255","0.0005","20.4941","0.0008","28.0429","0.0012","90","","93.676","0.002","90","","6897","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C122 H144 F18 N14 O46 Pd2 S6 -","- C122 H144 F18 N14 O46 Pd2 S6 -","- C244 H288 F36 N28 O92 Pd4 S12 -","2","0.5","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.127","0.1062","","","0.2562","0.2712","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515540","13.067","0.005","14.272","0.005","17.273","0.005","67.392","0.005","77.696","0.005","87.835","0.005","2902","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 F12 N5 P2 -","- C31 H21 F12 N5 P2 -","- C124 H84 F48 N20 P8 -","4","2","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.1278","0.0643","","","0.1725","0.2228","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515541","8.7653","0.0002","8.7653","0.0002","13.8811","0.0005","90","","90","","90","","1066.49","0.05","90","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.631 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.6889","synchrotron","","0.1508","0.0572","","","0.0688","0.0937","","","","1.69","1.69","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515542","8.7788","0.0004","8.7788","0.0004","13.8604","0.0006","90","","90","","90","","1068.18","0.08","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.29 K9.223 Se20 -","- Fe15.284 K9.222 Se20 -","- Fe15.284 K9.222 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.71069","MoKα","","0.0721","0.0578","","","0.0771","0.0849","","","","1.8","1.8","1.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515543","12.6286","0.0009","13.2786","0.001","14.6898","0.001","85.812","0.002","77.077","0.002","67.47","0.002","2217.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O8 -","- C48 H64 O8 -","- C96 H128 O16 -","2","1","","Hau, Chun-Kit; Chui, Stephen Sin-Yin; Lu, Wei; Che, Chi-Ming; Cheng, Ping-Shing; Mak, Thomas C. W.; Miao, Qian; Wong, Henry N. C.","Thermotropic liquid crystals based on 1,8,9,16-tetrasubstituted tetraphenylenes and their structure‒property relationship studies","Chemical Science","2011","2","6","1068","","10.1039/c1sc00053e","","","0.71073","MoKα","","0.1681","0.067","","","0.1589","0.2093","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515544","11.05","0.002","13.83","0.003","14.03","0.003","78.8","0.03","83.81","0.03","69.28","0.03","1965.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Hooper, Thomas; Brechin, Euan K.; Evangelisti, Marco; Murray, Keith S.","Molecular coolers: The case for [CuII5GdIII4]","Chemical Science","2011","2","6","1166","","10.1039/c1sc00038a","","","0.71082","synchrotron","","0.0409","0.0398","","","0.0992","0.0999","","","","","","1.132","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515545","11.0978","0.0011","10.0421","0.001","15.8898","0.0016","90","","99.529","0.002","90","","1746.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H42 N2 O4 -","- C41 H42 N2 O4 -","- C82 H84 N4 O8 -","2","1","","Li, Jie; Chen, Gang; Wang, Zheng; Zhang, Ruzhou; Zhang, Xumu; Ding, Kuiling","Spiro-2,2′-bichroman-based bisoxazoline (SPANbox) ligands for ZnII-catalyzed enantioselective hydroxylation of β-keto esters and 1,3-diester","Chemical Science","2011","2","6","1141","","10.1039/c0sc00607f","","","0.71073","MoKα","","0.075","0.0608","","","0.1302","0.1373","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515546","9.9624","0.0004","17.8137","0.0008","12.6175","0.0006","90","","98.264","0.002","90","","2215.94","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O2 S -","- C12 H18 Br N O2 S -","- C72 H108 Br6 N6 O12 S6 -","6","3","","Chuang, Kangway V.; Navarro, Raul; Reisman, Sarah E.","Benzoquinone-derived sulfinyl imines as versatile intermediates for alkaloid synthesis: Total synthesis of (‒)-3-demethoxyerythratidinone","Chemical Science","2011","2","6","1086","","10.1039/c1sc00095k","","","0.71073","MoKα","","0.0344","0.0257","","","0.0308","0.0315","","","","","","1.083","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515547","11.5561","0.0003","31.6369","0.0007","9.5457","0.0003","90","","109.984","0.003","90","","3279.77","0.16","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.0708","0.0477","","","0.0946","0.0981","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515548","12.096","0.005","32.135","0.005","9.467","0.005","90","0.005","111.981","0.005","90","0.005","3412","2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1188","0.0635","","","0.1689","0.1812","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515549","11.9215","0.0015","31.91","0.003","9.4841","0.0011","90","","111.535","0.013","90","","3356","0.7","250","2","250","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1371","0.053","","","0.124","0.1372","","","","","","0.862","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515550","11.5602","0.0004","31.6268","0.0012","9.5237","0.0004","90","","110.199","0.004","90","","3267.8","0.2","92","2","92","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1074","0.0546","","","0.1139","0.123","","","","","","0.923","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515552","30.1892","0.0002","30.1892","0.0002","30.1892","0.0002","90","","90","","90","","27514.1","0.3","296","2","296","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C32 H28 Cu2 O14 -","- C32 H4 Cu2 O14 -","- C192 H24 Cu12 O84 -","6","0.125","","Jeong, Kyung Seok; Go, Yong Bok; Shin, Sung Min; Lee, Suk Joong; Kim, Jaheon; Yaghi, Omar M.; Jeong, Nakcheol","Asymmetric catalytic reactions by NbO-type chiral metal‒organic frameworks","Chemical Science","2011","2","5","877","","10.1039/c0sc00582g","","","1.54178","CuKα","","0.1328","0.0613","","","0.1891","0.2227","","","","","","0.741","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515553","63.385","0.004","12.6019","0.0008","38.409","0.003","90","","98.769","0.004","90","","30321","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 N6 P -","- C54 H76 N6 P -","- C1296 H1824 N144 P24 -","24","3","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1067","0.0641","","","0.1503","0.1742","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515554","11.516","0.006","22.439","0.011","25.37","0.012","90","","98.889","0.008","90","","6477","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 N7 P V -","- C66 H98 N7 P V -","- C264 H392 N28 P4 V4 -","4","1","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1689","0.0637","","","0.1031","0.1303","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515555","11.5815","0.0001","11.8231","0.0001","25.3961","0.0003","80.0523","0.0004","87.1768","0.0004","66.4893","0.0005","3140.1","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H73 N5 O12 -","- C70 H73 N5 O12 -","- C140 H146 N10 O24 -","2","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.71073","MoKα","","0.0646","0.0502","","0.1259","0.1151","0.1259","","","","","","0.9815","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515556","11.009","0.007","17.213","0.01","25.06","0.016","73.3","0.02","82.6","0.03","79.77","0.03","4461","5","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C96 H102 Cl N5 O20 -","- C96 H102 Cl N5 O20 -","- C192 H204 Cl2 N10 O40 -","2","2","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1273","0.12","","0.3295","0.3229","0.3295","","","","","","1.0058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515557","12.2168","0.0013","24.953","0.003","31.028","0.003","90","","97.622","0.001","90","","9375.2","1.8","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H110 Cl N5 O22 -","- C102 H110 Cl N5 O22 -","- C408 H440 Cl4 N20 O88 -","4","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1268","0.0971","","0.1927","0.168","0.1927","","","","","","1.0548","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515558","26.964","0.004","14.146","0.002","24.947","0.004","90","","116.938","0.002","90","","8483","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(THT)AuP(Ph2CCO)3Nb(N[CH2tBu]Ar)3 2.5.THF","","","- C95 H118 Au N3 Nb O5.5 P S -","- C95 H118 Au N3 Nb O5.5 P S -","- C380 H472 Au4 N12 Nb4 O22 P4 S4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0572","0.0397","","","0.0924","0.1032","","","","","","1.026","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515559","27.017","0.002","14.1228","0.0013","24.657","0.002","90","","116.11","0.001","90","","8447.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)AuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Au N4 Nb O5.5 P -","- C96 H115 Au N4 Nb O5.5 P -","- C384 H460 Au4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0575","0.0373","","","0.095","0.103","","","","","","1.031","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515560","27.086","0.002","14.0697","0.0011","24.79","0.002","90","","116.396","0.001","90","","8462.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(pyr)AgP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Ag N4 Nb O5.5 P -","- C96 H115 Ag N4 Nb O5.5 P -","- C384 H460 Ag4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0897","0.0523","","","0.1208","0.1391","","","","","","0.969","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515561","23.3525","0.0016","15.0941","0.001","25.0969","0.0017","90","","115.147","0.001","90","","8007.8","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Rh(eta(6)-Ph,eta(2)-Ph'-P(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C92.5 H122 N3 Nb O5 P Rh -","- C91.509 H112.036 N3 Nb O4.991 P Rh -","- C366.036 H448.144 N12 Nb4 O19.964 P4 Rh4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0582","0.0414","","","0.097","0.1105","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515562","27.065","0.003","14.0252","0.0016","24.972","0.003","90","","116.777","0.002","90","","8462.7","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)CuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Cu N4 Nb O5.5 P -","- C96 H115 Cu N4 Nb O5.5 P -","- C384 H460 Cu4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0664","0.0471","","","0.1259","0.1402","","","","","","1.024","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515563","17.736","0.002","17.736","0.002","51.913","0.007","90","","90","","120","","14142","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","[Na(thf)6][(Ar[Np]N)3Nb(OC[CPh2])3P]","","","- C105 H138 N3 Na Nb O9 P -","- C105 H138 N3 Na Nb O9 P -","- C630 H828 N18 Na6 Nb6 O54 P6 -","6","0.333333","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0752","0.0495","","","0.1179","0.1362","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515564","23.715","0.002","16.1639","0.0013","19.4189","0.0016","90","","107.002","0.001","90","","7118.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(Ar[Np]N)3Nb(OC[CPh2])2P][Na(thf)]","","","- C74.75 H97 N3 Na Nb O3 P -","- C74.75 H97 N3 Na Nb O3 P -","- C299 H388 N12 Na4 Nb4 O12 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0659","0.0455","","","0.1156","0.131","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515565","10.2629","0.0002","12.4476","0.0003","14.5233","0.0003","112.514","0.002","91.655","0.002","105.741","0.002","1631.16","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H61 Fe2 -","- C34 H61 Fe2 -","- C68 H122 Fe4 -","2","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0839","0.0459","","","0.093","0.1076","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515566","9.0398","0.0002","9.0398","0.0002","40.2263","0.0012","90","","90","","90","","3287.21","0.14","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H62 Fe2 -","- C34 H62 Fe2 -","- C136 H248 Fe8 -","4","0.5","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","1.54178","CuKα","","0.0262","0.0253","","","0.0648","0.0653","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515567","13.3878","0.0003","13.7768","0.0003","19.6471","0.0004","90","","90","","90","","3623.73","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 Fe2 P4 -","- C34 H58 Fe2 P4 -","- C136 H232 Fe8 P16 -","4","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0476","0.0388","","","0.0845","0.0879","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515568","54.319","0.008","4.7958","0.0007","18.476","0.003","90","","109.058","0.002","90","","4549.2","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C256 H192 N32 -","16","2","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0858","0.0629","","","0.1558","0.1676","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515569","14.9876","0.0013","5.6399","0.0005","18.1283","0.0016","90","","94.317","0.002","90","","1528","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0667","0.0511","","","0.1199","0.1292","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515570","18.7505","0.0012","7.0987","0.0004","20.0419","0.0012","90","","90","","90","","2667.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C120 H80 Br16 N16 -","8","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0561","0.0357","","","0.0785","0.0854","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515571","11.3993","0.0012","20.292","0.002","6.8679","0.0007","90","","116.348","0.002","90","","1423.6","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 Br2 N2 -","- C16 H12 Br2 N2 -","- C64 H48 Br8 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0304","0.026","","","0.0517","0.053","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515572","4.7179","0.0003","13.9491","0.0009","18.8428","0.0012","90","","90","","90","","1240.05","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0382","0.0332","","","0.0722","0.0743","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515573","10.4908","0.0014","17.614","0.002","9.1784","0.0012","90","","106.541","0.002","90","","1625.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Tang, Bo-Xiao; Song, Ren-Jie; Wu, Cui-Yan; Wang, Zhi-Qiang; Liu, Yu; Huang, Xiao-Cheng; Xie, Ye-Xiang; Li, Jin-Heng","Ruthenium-catalyzed intramolecular carbocyclization of alkynes with an sp3 carbon involving an oxidative deprotonation process","Chemical Science","2011","2","11","2131","","10.1039/c1sc00423a","","","0.71073","MoKα","","0.0706","0.0524","","","0.1339","0.1441","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515574","12.942","0.002","5.7874","0.001","22.755","0.004","90","","104.764","0.003","90","","1648.1","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Robbins, Diane; Newton, Annabella F.; Gignoux, Camille; Legeay, Jean-Christophe; Sinclair, Alex; Rejzek, Martin; Laxon, Carly A.; Yalamanchili, Sai K.; Lewis, William; O'Connell, Maria A.; Stockman, Robert A.","Synthesis of natural-product-like scaffolds in unprecedented efficiency via a 12-fold branching pathway","Chemical Science","2011","2","11","2232","","10.1039/c1sc00371b","","","0.71073","MoKα","","0.1409","0.1351","","","0.2264","0.2285","","","","","","1.401","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515575","27.1704","0.0019","27.1704","0.0019","27.1704","0.0019","90","","90","","90","","20058","2","113","2","113","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C156 H84 N48 O68 Zn7 -","- C156 H84 N48 O68.04 Zn7 -","- C624 H336 N192 O272.16 Zn28 -","4","0.0833333","","Qi, Xiao-Lin; Lin, Rui-Biao; Chen, Qing; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal azolate framework with drastic luminescence response toward solvent vapors and carbon dioxide","Chemical Science","2011","2","11","2214","","10.1039/c1sc00421b","","","0.71073","MoKα","","0.098","0.0615","","","0.137","0.1596","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515578","24.217","0.003","24.217","0.003","44.518","0.009","90","","90","","90","","26108","7","253","2","253","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C62 H46 Cl4 Fe2 N13 O17.5 -","- C62 H40 Cl4 Fe2 N13 O17.5 -","- C992 H640 Cl64 Fe32 N208 O280 -","16","0.5","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1108","0.0588","","","0.1672","0.1925","","","","","","0.909","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515579","28.005","0.006","23.913","0.005","25.973","0.005","90","","115.78","0.03","90","","15663","7","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H53.25 Cl4 Fe2 N17.5 O18 -","- C77 H46 Cl4 Fe2 N17.5 O18 -","- C616 H368 Cl32 Fe16 N140 O144 -","8","2","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.2768","0.1013","","","0.2199","0.29","","","","","","0.808","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515580","19.005","0.004","14.428","0.003","20.463","0.004","90","","101.45","0.02","90","","5499","2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Cl4 Fe2 N10 O21 -","- C50 H34 Cl4 Fe2 N10 O21 -","- C200 H136 Cl16 Fe8 N40 O84 -","4","1","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1054","0.0609","","","0.1688","0.1973","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515581","12.1016","0.0004","6.4721","0.0002","11.3344","0.0004","90","","111.593","0.001","90","","825.44","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0522","0.0473","","","0.0922","0.0946","","","","","","1.231","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515582","12.3578","0.0007","6.5315","0.0008","11.4964","0.0007","90","","112.436","0.003","90","","857.69","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0592","0.0362","","","0.0845","0.0953","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515583","27.568","0.007","15.989","0.004","25.24","0.006","90","","106.726","0.005","90","","10655","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C364 H520 B8 Cl8 Cu16 F32 N40 P16 -","4","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1807","0.082","","","0.2251","0.2879","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515584","12.238","0.002","18.531","0.003","20.929","0.003","90","","103.246","0.003","90","","4620.1","1.3","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C184 H168 B4 Cl8 Cu8 F16 N20 P8 -","2","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1001","0.0477","","","0.1142","0.1526","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515585","8.485","0.002","13.769","0.002","15.231","0.003","91.11","0.002","100.453","0.003","91.01","0.002","1749.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 B Cu F4 N5 P -","- C38 H34 B Cu F4 N5 P -","- C76 H68 B2 Cu2 F8 N10 P2 -","2","1","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.0824","0.0513","","","0.127","0.152","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515586","30.849","0.0006","30.849","0.0006","23.5478","0.0006","90","","90","","120","","19407.2","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H62 Li N3 O3 Ti -","- C44.92 H61.92 Li N3 O3 Ti -","- C808.56 H1114.56 Li18 N54 O54 Ti18 -","18","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","1.54178","CuKα","","0.0749","0.056","","","0.1485","0.1605","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515587","19.9166","0.0018","19.1716","0.0018","21.779","0.002","90","","90","","90","","8315.9","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 N3 O3 Si Ti -","- C40 H63 N3 O3 Si Ti -","- C320 H504 N24 O24 Si8 Ti8 -","8","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","0.71073","MoKα","","0.062","0.0427","","","0.0987","0.1113","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515588","3.822","0.0007","13.266","0.002","13.858","0.002","118.434","0.002","93.312","0.003","94.22","0.003","612.74","0.17","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H16 S4 -","- C40 H16 S4 -","- C40 H16 S4 -","1","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0711","0.0543","","","0.1474","0.1589","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515589","27.556","0.0011","16.5467","0.0007","28.5253","0.0012","90","","94.415","0.001","90","","12967.8","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58.33 H50.67 S4 -","- C58.3333 H50.6667 S4 -","- C700 H608 S48 -","12","3","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0997","0.0626","","","0.1641","0.1847","","","","","","1.275","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515590","13.742","0.002","21.483","0.004","17.611","0.003","90","","96.049","0.003","90","","5170.2","1.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 N4 S4 -","- C68 H52 N4 S4 -","- C272 H208 N16 S16 -","4","1","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.117","0.0726","","","0.1773","0.205","","","","","","1.287","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515591","22.514","0.005","19.373","0.004","19.548","0.004","90","","108.901","0.003","90","","8066","3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C310 H64 S4 -","- C310 H64 S4 -","- C620 H128 S8 -","2","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.3184","0.1623","","","0.3811","0.4275","","","","","","1.724","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515592","17.249","0.002","17.249","0.002","81.989","0.016","90","","90","","120","","21126","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C132 H202 N6 O6 S U2 -","- C131.9 H174 N6 O6 S U2 -","- C791.4 H1044 N36 O36 S6 U12 -","6","0.166667","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1182","0.0563","","","0.1192","0.1305","","","","","","1.364","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515593","14.8605","0.0019","15.046","0.002","17.8037","0.0016","70.931","0.009","81.732","0.011","60.483","0.01","3273.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H192 N10 O6 S0.02 Se0.98 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","1","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0495","0.0387","","","0.092","0.0969","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515594","22.837","0.0016","24.081","0.002","25.25","0.002","90","","116.123","0.008","90","","12467.5","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 S U2 -","- C130 H187 N2 O17 S U2 -","- C520 H748 N8 O68 S4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.105","0.0569","","","0.1242","0.1535","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515595","22.7926","0.0018","24.1118","0.0009","25.319","0.003","90","","116.089","0.01","90","","12497","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 Se U2 -","- C130 H187 N2 O17 Se U2 -","- C520 H748 N8 O68 Se4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1217","0.052","","","0.106","0.1322","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515596","28.397","0.003","17.161","0.0019","55.426","0.011","90","","103.778","0.011","90","","26233","7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 S2 U2 -","- C132 H192 N2 Na2 O18 S2 U2 -","- C1056 H1536 N16 Na16 O144 S16 U16 -","8","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1004","0.0805","","","0.2101","0.2182","","","","","","1.481","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515597","24.887","0.005","21.404","0.004","26.847","0.005","90","","110.322","0.009","90","","13411","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 Se2 U2 -","- C132 H192 N2 Na2 O18 Se2 U2 -","- C528 H768 N8 Na8 O72 Se8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0897","0.0527","","","0.1219","0.1345","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515598","24.818","0.002","21.454","0.002","27.07","0.003","90","","110.585","0.011","90","","13493","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C536 H784 N8 Na8 O74 Te8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0794","0.0477","","","0.1003","0.1104","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515599","15.1722","0.0016","16.9264","0.0012","21.898","0.0016","99.027","0.006","100.16","0.007","96.211","0.008","5413.2","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H162 N3 O14 U2 -","- C122.996 H161.99 N3 O13.998 U2 -","- C245.992 H323.98 N6 O27.996 U4 -","2","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1064","0.0522","","","0.1","0.1188","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515600","10.3614","0.0008","11.1748","0.0009","18.7204","0.0016","90","","90","","90","","2167.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O5 S -","- C22 H20 Br N O5 S -","- C88 H80 Br4 N4 O20 S4 -","4","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via cinchonine derived thiourea-catalyzed enantioselective aza-Michael reaction and total synthesis of (-)-Mesembrine","Chemical Science","2011","2","8","1519","","10.1039/c1sc00083g","","","0.71073","MoKα","","0.0829","0.0364","","","0.0559","0.064","","","","","","0.848","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515601","10.6331","0.0004","10.6331","0.0004","5.6597","0.0003","90","","90","","90","","639.9","0.05","566","2","566","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ca2 F H7 Ir O7 -","- Ca2 F H7 Ir O7 -","- Ca8 F4 H28 Ir4 O28 -","4","0.25","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.0379","0.0188","","","0.0443","0.0478","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515602","5.9657","0.0003","10.9919","0.0004","6.0097","0.0003","90","","112.903","0.006","90","","363.01","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H8 Ir O8 Sr2 -","- H8 Ir O8 Sr2 -","- H16 Ir2 O16 Sr4 -","2","0.5","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.029","0.0234","","","0.0533","0.0546","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515603","8.7047","0.0002","15.6298","0.0003","9.3874","0.0002","90","","115.922","0.001","90","","1148.68","0.04","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Al N3 -","- C8 H22 Al N3 -","- C32 H88 Al4 N12 -","4","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0461","0.0355","","","0.0941","0.1002","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515604","14.6013","0.0003","15.486","0.0003","8.6751","0.0002","90","","122.28","0.03","90","","1658.4","0.6","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Al2 N2 -","- C12 H32 Al2 N2 -","- C48 H128 Al8 N8 -","4","0.5","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0503","0.0379","","","0.0999","0.1083","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515605","19.5895","0.0006","19.5895","0.0006","31.1522","0.0008","90","","90","","120","","10353","0.5","260","2","260","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H36 B3 N3 -","- C12 H36 B3 N3 -","- C288 H864 B72 N72 -","24","4","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1696","0.1236","","","0.3639","0.3858","","","","","","1.429","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515606","29.3467","0.0005","29.3467","0.0005","14.9405","0.0004","90","","90","","120","","11143.3","0.4","180","2","180","2","","","","","","","","6","P 63","P 6c","173","","","","- C37 H113 B4 N9 O Si12 -","- C37 H113 B4 N9 O Si12 -","- C222 H678 B24 N54 O6 Si72 -","6","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1667","0.1235","","","0.3072","0.3335","","","","","","2.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515612","21.1146","0.0006","32.0756","0.001","12.6836","0.0004","90","","90","","90","","8590.1","0.5","150","2","150","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C12 H154 N6 Na18 O165 Te8 W28 -","- C7 N3.8 Na13.4 O163.9 Te8 W28 -","- C14 N7.6 Na26.8 O327.8 Te16 W56 -","2","0.25","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.0737","0.0475","","","0.1187","0.1317","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515613","19.7207","0.0004","37.8627","0.0011","22.6396","0.0004","90","","104.374","0.002","90","","16375.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H130 K24 O177 Te8 W28 -","- K23.2 O150.878 Te8 W28 -","- K92.8 O603.512 Te32 W112 -","4","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.1251","0.0681","","","0.1189","0.1452","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515614","19.3418","0.0008","21.0639","0.001","22.8563","0.0011","104.296","0.004","91.843","0.004","92.426","0.004","9006.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H79 Na26 O152 Te9 W28 -","- Na12.85 O150.95 Te9 W28 -","- Na25.7 O301.9 Te18 W56 -","2","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.1443","0.0719","","","0.1659","0.2026","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515615","32.5176","0.0006","20.937","0.0003","27.2721","0.0004","90","","102.804","0.002","90","","18105.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Cl H142 Na27 O186 Te9 W28 -","- Cl Na21.9 O151.8 Te9 W28 -","- Cl4 Na87.6 O607.2 Te36 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54184","CuKα","","0.0704","0.0566","","","0.1484","0.1618","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515616","34.873","0.0001","18.6557","0.0003","27.5438","0.0008","90","","105.384","0.004","90","","17277.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H90 Na28 O163 Te10 W28 -","- Na16.4 O153 Te9.5 W28 -","- Na65.6 O612 Te38 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.0781","0.0485","","","0.1205","0.1273","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515617","8.5144","0.0008","8.9709","0.0008","13.415","0.0013","92.829","0.001","103.59","0.001","102.048","0.001","968.8","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C54 H40 O4 -","2","1","","Kuzmanich, Gregory; Xue, Jiadan; Netto-Ferreira, José-Carlos; Scaiano, J. C.; Platz, Matthew; Garcia-Garibay, Miguel A.","Steady state and transient kinetics in crystalline solids: the photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone","Chemical Science","2011","2","8","1497","","10.1039/c1sc00184a","","","0.71073","MoKα","","0.0499","0.0457","","","0.1202","0.1233","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515618","7.0652","0.0001","11.0639","0.0002","22.775","0.0005","90","","90","","90","","1780.29","0.06","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C76 H64 I4 N4 O12 -","4","1","","Leon, Rafael; Jawalekar, Anup; Redert, Thomas; Gaunt, Matthew J.","Catalytic enantioselective assembly of complex molecules containing embedded quaternary stereogenic centres from simple anisidine derivatives","Chemical Science","2011","2","8","1487","","10.1039/c1sc00218j","","","0.71073","MoKα","","0.0225","0.0212","","","0.0539","0.0548","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515619","13.445","0.0007","9.4054","0.0005","14.8518","0.0007","90","","117.218","0.004","90","","1670.14","0.16","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LTP196","","","- C16 H18 Cl N O2 Pd S -","- C16 H18 Cl N O2 Pd S -","- C64 H72 Cl4 N4 O8 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0335","0.0257","","","0.0598","0.0637","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515620","13.1411","0.0006","18.9878","0.001","8.625","0.0004","90","","106.879","0.002","90","","2059.4","0.17","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LTP198","","","- C20 H26 N O4.5 Pd S -","- C20 H26 N O4.5 Pd S -","- C80 H104 N4 O18 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0472","0.0311","","","0.0649","0.0744","","","","","","1.075","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515621","34.486","0.003","11.34","0.0009","24.7183","0.0019","90","","117.519","0.002","90","","8572.9","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H86 N22 O23 -","- C75 H86 N22 O23 -","- C300 H344 N88 O92 -","4","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.1117","0.0784","","","0.2192","0.2368","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515622","13.477","0.004","15.019","0.004","17.319","0.005","98.171","0.005","109.671","0.004","102.737","0.005","3129.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0757","0.0665","","","0.1526","0.1577","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515623","12.36","0.003","14.699","0.004","15.587","0.004","70.114","0.004","82.103","0.004","66.078","0.004","2434.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0736","0.0673","","","0.1753","0.1805","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515624","29.168","0.006","27.741","0.006","20.935","0.004","90","","114.17","0.03","90","","15455","7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C154 H167 N6 O63.5 S10 -","- C154 H116 N6 O63.5 S10 -","- C616 H464 N24 O254 S40 -","4","0.5","","Guo, Dong-Sheng; Uzunova, Vanya D.; Su, Xin; Liu, Yu; Nau, Werner M.","Operational calixarene-based fluorescent sensing systems for choline and acetylcholine and their application to enzymatic reactions","Chemical Science","2011","2","9","1722","","10.1039/c1sc00231g","","","0.71073","MoKα","","0.1952","0.1235","","","0.3175","0.3744","","","","","","1.137","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515625","13.4133","0.0009","13.4133","0.0009","92.656","0.012","90","","90","","120","","14437","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 B6 Cl12 N12 O12 -","- C90 H48 B6 Cl12 N12 O12 -","- C540 H288 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","0.71073","MoKα","","0.09","0.0761","","","0.1394","0.1452","","","","","","1.264","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515626","14.3139","0.0009","14.3139","0.0009","30.848","0.002","90","","90","","120","","5473.6","0.6","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C114 H60 B6 Cl12 N12 O12 -","- C114 H60 B6 Cl12 N12 O12 -","- C228 H120 B12 Cl24 N24 O24 -","2","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0975","0.0465","","","0.1081","0.121","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515627","13.5162","0.0006","13.5162","0.0006","93.155","0.005","90","","90","","120","","14738.3","1.2","293","2","0","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H60 B6 Cl12 N12 O12 -","- C108 H60 B6 Cl12 N12 O12 -","- C648 H360 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0763","0.0459","","","0.1195","0.1307","","","","","","0.809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515628","13.5417","0.0003","13.5417","0.0003","118.223","0.007","90","","90","","120","","18775","1.3","270","2","270","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H84 B6 Cl12 N12 O12 -","- C144 H84 B6 Cl12 N12 O12 -","- C864 H504 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0592","0.0555","","","0.1554","0.1587","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515629","6.24573","0.00008","7.2874","0.0001","37.2516","0.0005","90","","90","","90","","1695.51","0.04","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","1","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","x-ray","1.5418","CuKα","","0.0264","0.0258","","","0.0713","0.0717","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515630","24.8014","0.0016","24.8014","0.0016","6.835","0.0009","90","","90","","120","","3641","0.6","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C30 H21 Cl3 -","- C30 H21 Cl3 -","- C180 H126 Cl18 -","6","0.333333","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","","0.71073","MoKα","","0.0357","0.0344","","","0.0828","0.0834","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515631","25.1026","0.0013","25.1026","0.0013","25.1026","0.0013","90","","90","","90","","15818.2","1.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C132 H180 Cl12 Co8 N72 O4 -","- C132 H180 Cl12 Co8 N72 O3.6 -","- C528 H720 Cl47.9999 Co32 N288 O14.4 -","4","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.0711","0.0493","","","0.1349","0.1495","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515632","17.758","0.005","19.38","0.003","24.772","0.006","90","","90.257","0.016","90","","8525","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Br12 Co8 N72 O18 -","- C132 H156 Br12 Co8 N72 O17.92 -","- C264 H312 Br24 Co16 N144 O35.84 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1959","0.0826","","","0.1984","0.2615","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515633","28.55","0.002","22.5268","0.0019","19.4189","0.0016","90","","131.977","0.003","90","","9284.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C138 H156 Cl16 Co10 N72 O11.5 S3 -","- C138 H156 Cl16 Co10 N72 O11.52 S3 -","- C276 H312 Cl32 Co20 N144 O23.04 S6 -","2","0.25","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.174","0.0833","","","0.2286","0.2748","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515634","20.155","0.005","19.422","0.005","22.792","0.006","90","","90.221","0.002","90","","8922","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Co8 N84 O58.5 -","- C132 H156 Co8 N84 O58.5 -","- C264 H312 Co16 N168 O117 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1293","0.0782","","","0.1921","0.2213","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515635","31.693","0.006","20.047","0.004","32.309","0.007","90","","109.5","0.03","90","","19350","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C138 H178 B12 Co8 F48 N74 O16.75 -","- C138 H178 B12 Co8 F48 N74 O16.86 -","- C552 H712 B48 Co32 F192 N296 O67.44 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1715","0.0789","","","0.1871","0.2358","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515636","33.008","0.008","19.253","0.005","32.654","0.007","90","","116.116","0.005","90","","18633","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H168 Cl12 Co8 N72 O40 -","- C132 H168 Cl12 Co8 N72 O39.96 -","- C528 H672 Cl48 Co32 N288 O159.84 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1305","0.0714","","","0.1662","0.1988","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515637","17.3775","0.0012","17.494","0.0012","24.6892","0.0017","90","","90","","90","","7505.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H88 N32 Ni4 O16 -","- C56 H88 N32 Ni4 O16 -","- C224 H352 N128 Ni16 O64 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1346","0.0702","","","0.1688","0.2018","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515638","12.909","0.002","12.071","0.0019","12.95","0.002","90","","115.858","0.002","90","","1815.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cd N8 O4 -","- C14 H22 Cd N8 O4 -","- C56 H88 Cd4 N32 O16 -","4","1","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","0.71073","MoKα","","0.0406","0.0356","","","0.0933","0.0966","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515639","28.1055","0.0004","28.1055","0.0004","19.1669","0.0006","90","","90","","120","","13111.9","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C132 H126 In8 N84 O39.67 -","- C132 H126 In8 N83.98 O39.96 -","- C396 H378 In24 N251.94 O119.88 -","3","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.086","0.058","","","0.1352","0.1526","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515640","20.3067","0.0009","18.7195","0.0008","24.9104","0.001","90","","93.182","0.001","90","","9454.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C135 H175 Co8 N73 O56 S6 -","- C135 H175 Co8 N73 O55.76 S6 -","- C270 H350 Co16 N146 O111.52 S12 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1367","0.0737","","","0.1794","0.2098","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515641","8.623","","10.307","","10.493","","104.88","","92.7","","101.67","","877.838","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf3a","","","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H40 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0259","0.0253","","","0.0676","0.0699","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515642","8.9348","0.0006","10.504","0.0007","14.0627","0.001","68.984","0.004","77.296","0.004","85.408","0.004","1201.85","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf9a","","","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","1","0.5","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","1.54178","CuKα","","0.0566","0.054","","","0.1395","0.1417","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515643","10.778","","12.316","","14.407","","90","","107.01","","90","","1828.75","","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","xwf22a","","","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","4","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0644","0.0531","","","0.134","0.1425","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515644","9.465","","9.976","","10.631","","108.44","","109.42","","106.27","","810.526","","103","2","103","2","","","","","","","","7","P -1","-P 1","2","xwf-17","","","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H44 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0769","0.0783","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515645","13.3667","0.0017","13.3667","0.0017","10.7152","0.0013","90","","90","","90","","1914.5","0.4","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","xwf23a","","","- C26 H52 Cl4 Fe N6 O4 Re -","- C26 H52 Cl4 Fe N6 O4 Re -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","2","0.25","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0731","0.0764","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515649","10.577","0.002","10.715","0.002","13.367","0.003","106.03","0.03","90.59","0.04","105.44","0.02","1397.7","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","1","0.5","","Lai-Fung Chan, Sharon; Wai-Yin Sun, Raymond; Choi, Mei-Yuk; Zeng, Yibo; Shek, Lam; Sin-Yin Chui, Stephen; Che, Chi-Ming","An anti-cancer trinuclear ruthenium(iii) complex with 2-thiosalicylate ligands attenuates Wnt-β-catenin signaling","Chemical Science","2011","2","9","1788","","10.1039/c1sc00203a","","","0.71073","MoKα","","0.0317","0.0279","","","0.0754","0.0782","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515651","22.3613","0.0006","22.3613","0.0006","8.7343","0.0003","90","","90","","90","","4367.4","0.2","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.042","0.0383","","","0.1005","0.1043","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515652","9.1677","0.0001","11.1135","0.0002","13.3821","0.0002","68.696","0.001","78.909","0.001","81.699","0.001","1242.4","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 B F10 N -","- C27 H22 B F10 N -","- C54 H44 B2 F20 N2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0466","0.045","","","0.1171","0.1184","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515653","18.5936","0.0009","9.2952","0.0006","26.1791","0.0017","90","","104.988","0.003","90","","4370.6","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 B F10 N -","- C23 H20 B F10 N -","- C184 H160 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.1085","0.0581","","","0.1251","0.1434","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515654","13.6638","0.0003","16.1258","0.0005","16.855","0.0006","90","","111.633","0.001","90","","3452.24","0.18","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B F10 N -","- C38 H34 B F10 N -","- C152 H136 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0627","0.0546","","","0.1508","0.1589","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515655","18.8907","0.0006","17.3259","0.0006","16.9954","0.0006","90","","105.094","0.003","90","","5370.7","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B F10 N -","- C28 H28 B F10 N -","- C224 H224 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0463","0.0409","","","0.1093","0.1143","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515656","8.9726","0.0004","13.4786","0.0006","24.6543","0.0017","90","","93.952","0.004","90","","2974.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 B F10 N -","- C33 H24 B F10 N -","- C132 H96 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0855","0.0501","","","0.1222","0.1557","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515657","17.8309","0.0007","21.5961","0.001","12.2832","0.0003","90","","90","","90","","4730","0.3","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C25 H20 B F10 N -","- C25 H20 B F10 N -","- C200 H160 B8 F80 N8 -","8","","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0413","0.038","","","0.0984","0.1023","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515658","12.1379","0.0004","14.0463","0.0005","13.5423","0.0005","90","","105.934","0.002","90","","2220.15","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B F10 N -","- C23 H22 B F10 N -","- C92 H88 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0395","0.0366","","","0.0967","0.0996","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515659","10.9724","0.0004","11.3362","0.0005","16.996","0.0007","90","","90","","90","","2114.05","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 B F10 N -","- C22 H20 B F10 N -","- C88 H80 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0397","0.0367","","","0.0893","0.0917","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515660","9.428","0.0004","11.0909","0.0006","14.6744","0.0008","108.637","0.003","96.263","0.003","105.831","0.002","1366.01","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 B F10 N O -","- C30 H26 B F10 N O -","- C60 H52 B2 F20 N2 O2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0516","0.0442","","","0.1077","0.1137","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515661","20.3695","0.0008","9.2993","0.0007","21.591","0.001","90","","114.314","0.002","90","","3727.1","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 B F10 N O -","- C43 H38 B F10 N O -","- C172 H152 B4 F40 N4 O4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0828","0.0539","","","0.1336","0.1574","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515662","12.363","0.005","6.388","0.003","17.867","0.008","90","","98.728","0.004","90","","1394.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","2","","Li, Hui; Zhang, Fu-Min; Tu, Yong-Qiang; Zhang, Qing-Wei; Chen, Zhi-Min; Chen, Zhi-Hua; Li, Jian","Enantioselective bromination/semipinacol rearrangement for the synthesis of β-bromoketones containing an all-α-carbon quaternary center","Chemical Science","2011","2","9","1839","","10.1039/c1sc00295c","","","0.71073","MoKα","","0.0925","0.0473","","","0.0779","0.0901","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515663","11.0022","0.0005","11.7354","0.0006","18.0634","0.001","90.254","0.003","94.779","0.003","117.609","0.003","2057.05","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","1","0.5","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.71073","MoKα","","0.0314","0.0295","","","0.0659","0.0666","","","","","","1.204","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515664","30.0251","0.0006","15.6531","0.0003","22.4759","0.0004","90","","103.691","0.002","90","","10263.2","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H162 N9 O3 Si18 U3 -","- C57 H162 N9 O3 Si18 U3 -","- C228 H648 N36 O12 Si72 U12 -","4","1","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.7107","MoKα","","0.1118","0.0654","","","0.164","0.1752","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515665","36.218","0.007","12.304","0.003","31.224","0.01","90","","122.397","0.005","90","","11749","5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 B F20 N2 O2 P Zr -","- C57 H60 B F20 N2 O2 P Zr -","- C456 H480 B8 F160 N16 O16 P8 Zr8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1266","0.0587","","","0.1238","0.1425","","","","","","0.996","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515666","11.6507","0.0006","13.7877","0.0006","19.5448","0.0008","90","","90","","90","","3139.6","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B F12 N2 O P -","- C30 H30 B F12 N2 O P -","- C120 H120 B4 F48 N8 O4 P4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0803","0.0856","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515667","11.691","0.0005","12.8326","0.0005","13.5442","0.0006","63.637","0.002","88.082","0.002","72.341","0.002","1722.62","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","1","0.5","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0664","0.0477","","","0.1264","0.1337","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515668","19.5019","0.001","16.3963","0.0007","21.7273","0.0011","90","","90","","90","","6947.5","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 B F12 N2 O P -","- C36 H36 B F12 N2 O P -","- C288 H288 B8 F96 N16 O8 P8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0768","0.0421","","","0.0894","0.1042","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515669","9.5346","0.0005","21.1476","0.0009","17.6877","0.0008","90","","102.604","0.001","90","","3480.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 B Cl F3 O P2 -","- C37 H47 B Cl F3 O P2 -","- C148 H188 B4 Cl4 F12 O4 P8 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.06","0.0437","","","0.1075","0.1165","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515670","12.3838","0.0003","12.5415","0.0003","18.4913","0.0005","94.703","0.001","103.546","0.001","101.734","0.001","2708.21","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42 B F20 N2 O P -","- C55 H42 B F20 N2 O P -","- C110 H84 B2 F40 N4 O2 P2 -","2","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0659","0.0423","","","0.101","0.108","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515671","15.6655","0.0007","12.5681","0.0006","21.5094","0.001","90","","93.812","0.002","90","","4225.5","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 B F15 N2 O P Zr -","- C42 H43 B F15 N2 O P Zr -","- C168 H172 B4 F60 N8 O4 P4 Zr4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1077","0.0576","","","0.13","0.149","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515672","39.2048","0.0018","39.2048","0.0018","39.2048","0.0018","90","","90","","90","","60258","5","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C120 H60 Cd13 O66 S24 -","- C120 H24 Cd13 O66 S24 -","- C960 H192 Cd104 O528 S192 -","8","0.0416667","","Yuan, Daqiang; Zhao, Dan; Timmons, Daren J.; Zhou, Hong-Cai","A stepwise transition from microporosity to mesoporosity in metal‒organic frameworks by thermal treatment","Chemical Science","2011","2","1","103","","10.1039/c0sc00320d","","","0.71073","MoKα","","0.073","0.0648","","","0.1561","0.1621","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515673","13.668","0.0006","12.3175","0.0006","24.2737","0.0012","90","","100.887","0.002","90","","4013.1","0.3","173","","173","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C40.25 H36.5 Cl0.5 N10 -","- C40.25 H36.5 Cl0.5 N10 -","- C161 H146 Cl2 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.1311","0.0746","","","0.1737","0.207","","","","","","1.053","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515674","14.1265","0.0002","21.8947","0.0004","15.3826","0.0003","90","","93.6655","0.0009","90","","4748.04","0.14","123","","123","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 N10 -","- C52 H60 N10 -","- C208 H240 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.0949","0.0642","","","0.1729","0.1966","","","","","","1.155","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515675","6.9683","0.0013","21.374","0.004","12.566","0.003","90","","91.091","0.001","90","","1871.2","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","0.71073","MoKα","","0.0748","0.0471","","","0.1119","0.1252","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515676","12.6837","0.0003","8.7119","0.0003","13.9765","0.0004","90","","110.965","0.001","90","","1442.15","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O5 S -","- C11 H19 N O5 S -","- C44 H76 N4 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","1.54178","CuKα","","0.0692","0.065","","","0.1919","0.1965","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515677","35.8601","0.0011","6.0216","0.0002","23.1924","0.0006","90","","111.979","0.001","90","","4644.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H29.5 Cl1.5 N O2 S -","- C25.5 H29.5 Cl1.5 N O2 S -","- C204 H236 Cl12 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.077","0.0592","","","0.1641","0.1786","","","","","","1.053","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515678","8.962","0.0007","10.4716","0.0007","12.3795","0.001","90","","100.903","0.003","90","","1140.8","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C56 H58 N2 O4 S2 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0493","0.0432","","","0.1153","0.1227","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515679","13.6368","0.0012","7.9693","0.0008","21.253","0.0017","90","","97.724","0.002","90","","2288.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C108 H108 N4 O8 S4 -","4","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0563","0.0483","","","0.1327","0.1393","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515680","52.0309","0.0019","6.2004","0.0002","16.2321","0.0006","90","","98.15","0.002","90","","5183.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N O2 S -","- C33 H31 N O2 S -","- C264 H248 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0464","0.0396","","","0.1089","0.1219","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515681","34.3459","0.0017","11.0908","0.0006","12.4392","0.0005","90","","90","","90","","4738.4","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0676","0.048","","","0.126","0.1386","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515682","10.0661","0.0009","11.2303","0.0012","12.7093","0.0012","108.467","0.005","92.142","0.005","102.893","0.005","1319.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 O4 S2 -","- C32 H32 O4 S2 -","- C64 H64 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0495","0.0412","","","0.1105","0.1158","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515683","10.7285","0.0012","10.9833","0.0012","13.0463","0.0012","111.389","0.005","92.772","0.005","103.536","0.006","1376.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 O4 S2 -","- C33 H34 O4 S2 -","- C66 H68 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.1108","0.0729","","","0.1838","0.21","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515684","35.624","0.0018","20.7297","0.001","25.0866","0.0013","90","","101.416","0.001","90","","18159.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C448 H888 Co32 Gd32 N16 O292 P32 -","4","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.1258","0.0815","","","0.1849","0.2154","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515685","22.622","0.003","11.63","0.0017","30.189","0.004","90","","97.612","0.002","90","","7872.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H198 Co8 Gd4 O50 P6 -","- C104 H198 Co8 Gd4 O50 P6 -","- C208 H396 Co16 Gd8 O100 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.2075","0.1227","","","0.271","0.319","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515686","13.55","0.0013","29.003","0.003","18.2506","0.0017","90","","97.588","0.002","90","","7109.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C232 H348 Co8 Gd12 N4 O92 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.0804","0.066","","","0.1776","0.1909","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515687","14.7192","0.0007","20.6103","0.0009","21.1775","0.0009","90","","90","","90","","6424.6","0.5","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H88 Cl2 N8 O5 Zr2 -","- C64 H88 Cl2 N8 O5 Zr2 -","- C256 H352 Cl8 N32 O20 Zr8 -","4","1","","Nguyen, Andy I.; Zarkesh, Ryan A.; Lacy, David C.; Thorson, Megan K.; Heyduk, Alan F.","Catalytic nitrene transfer by a zirconium(iv) redox-active ligand complex","Chemical Science","2011","2","1","166","","10.1039/c0sc00414f","","","0.71073","MoKα","","0.0518","0.0376","","","0.0829","0.0892","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515688","19.6876","0.0005","18.0489","0.0004","24.2236","0.0007","90","","104.85","0.0009","90","","8320.1","0.4","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H50 B2 F48 Pt3 -","- C84 H50 B2 F48 Pt3 -","- C336 H200 B8 F192 Pt12 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0525","","","","0.1717","","","","","","1.202","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515689","27.639","0.003","14.661","0.002","17.671","0.002","90","","103.616","0.002","90","","6959.3","1.4","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H70 B F4 N P4 Pt2 -","- C81 H60 B F4 N P4 Pt2 -","- C324 H240 B4 F16 N4 P16 Pt8 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0494","","","","0.1489","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515690","13.742","0.001","20.974","0.002","14.377","0.002","90","","99.419","0.003","90","","4087.9","0.8","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 B F4 P2 Pt -","- C49 H27 B F4 P2 Pt -","- C196 H108 B4 F16 P8 Pt4 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0767","","","","0.2191","","","","","","1.288","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515691","12.3189","0.0005","15.2911","0.0006","16.4704","0.0005","97.219","0.001","90.674","0.001","105.503","0.001","2962.6","0.19","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H41 B Cl2 F30 Pt3 -","- C60 H41 B Cl2 F30 Pt3 -","- C120 H82 B2 Cl4 F60 Pt6 -","2","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0561","","","","0.1575","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515692","11.4558","0.0004","19.1713","0.0007","25.517","0.001","90","","103.809","0.001","90","","5442.1","0.3","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H39 B F24 Pt3 -","- C56 H39 B F24 Pt3 -","- C224 H156 B4 F96 Pt12 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0454","","","","0.0563","","","","","","1.079","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515761","11.232","0.002","13.693","0.003","14.106","0.003","96.27","0.03","91.4","0.03","90.45","0.03","2155.8","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H128 O23 V6 -","- C70 H128 O23 V6 -","- C70 H128 O23 V6 -","1","0.5","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.7977","synchrotron","","0.0567","0.055","","","0.1518","0.154","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515762","11.486","0.004","28.417","0.011","14.966","0.005","90","","100.286","0.009","90","","4806","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C98 H124 O24 V6 -","- C98 H124 O24 V6 -","- C196 H248 O48 V12 -","2","0.5","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.71073","MoKα","","0.1574","0.0778","","","0.1614","0.1873","","","","","","0.836","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515763","11.2421","0.0008","14.0373","0.001","21.6847","0.0016","105.957","0.001","93.77","0.001","95.885","0.001","3257","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H98 O11 V2 -","- C62 H98 O11 V2 -","- C124 H196 O22 V4 -","2","1","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.7848","synchrotron","","0.0624","0.0554","","","0.1512","0.1591","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515764","13.52","0.003","18.22","0.004","19.29","0.004","89.59","0.03","74.53","0.03","82.69","0.03","4540.6","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H120 O24 V6 -","- C67.0003 H116.001 O24.0003 V6 -","- C134.001 H232.002 O48.0006 V12 -","2","1","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.6942","synchrotron","","0.1136","0.0724","","","0.21","0.2421","","","","","","1.032","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1515765","13.7603","0.0012","11.8807","0.001","20.3294","0.0018","90","","95.249","0.002","90","","3309.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H98 O13 V2 -","- C62 H92 O13 V2 -","- C124 H184 O26 V4 -","2","0.5","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.71073","MoKα","","0.0907","0.0613","","","0.1712","0.1857","","","","","","0.985","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1515766","11.686","0.012","7.737","0.007","10.674","0.011","90","","114.187","0.005","90","","880.4","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,8-DMeDNTT","2,8-DMeDNTT","","- C24 H16 S2 -","- C24 H16 S2 -","- C48 H32 S4 -","2","1","","Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo","Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors","Chemical Science","2010","1","2","179","","10.1039/c0sc00156b","","","0.7107","MoKα","","0.1027","0.0731","","","0.1702","0.1929","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515767","6.148","0.002","7.535","0.003","18.559","0.007","90","","97.924","0.001","90","","851.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,10-DMeDNTT","3,10-DMeDNTT","","- C24 H16 S2 -","- C24 H16 S2 -","- C48 H32 S4 -","2","0.5","","Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo","Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors","Chemical Science","2010","1","2","179","","10.1039/c0sc00156b","","","0.7107","MoKα","","0.0474","0.0395","","","0.1087","0.1146","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515770","15.7834","0.0008","15.7834","0.0008","21.1015","0.0011","90","","90","","120","","4552.4","0.4","125","2","125","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C21 H34 B Cl3 Ga2 N6 S3 -","- C21 H34 B Cl3 Ga2 N6 S3 -","- C126 H204 B6 Cl18 Ga12 N36 S18 -","6","0.333333","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0941","0.04","","","0.0677","0.0747","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515771","17.1401","0.001","11.9049","0.0007","19.0672","0.0011","90","","100.615","0.001","90","","3824.1","0.4","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B Ga2 I3 N6 S3 -","- C27 H40 B Ga2 I3 N6 S3 -","- C108 H160 B4 Ga8 I12 N24 S12 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0298","0.023","","","0.0541","0.0574","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515772","11.0854","0.001","11.1373","0.001","16.5062","0.0014","76.455","0.001","83.638","0.001","80.982","0.001","1950.9","0.3","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H40 B Ga2 I3 N8 S3 -","- C25 H40 B Ga2 I3 N8 S3 -","- C50 H80 B2 Ga4 I6 N16 S6 -","2","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.036","0.0297","","","0.0755","0.0779","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515773","30.236","0.004","10.3955","0.0013","27.107","0.003","90","","110.589","0.002","90","","7976","1.7","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 B2 Ga4 I5 N16 S6 -","- C42 H68 B2 Ga4 I5 N12 S6 -","- C168 H272 B8 Ga16 I20 N48 S24 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.1471","0.1116","","","0.2935","0.3103","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515774","14.953","0.002","20.106","0.003","11.2381","0.0018","90","","90","","90","","3378.7","0.9","125","2","125","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C46 H74 B2 Ga3 I3 N14 S6 -","- C46 H74 B2 Ga3 I3 N14 S6 -","- C92 H148 B4 Ga6 I6 N28 S12 -","2","0.5","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0537","0.0378","","","0.0979","0.1061","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515775","28.73","0.005","11.539","0.002","19.666","0.003","90","","102.55","0.003","90","","6363.8","1.8","125","2","125","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H84 B2 Ga I N12 S6 -","- C56 H84 B2 Ga I N12 S6 -","- C224 H336 B8 Ga4 I4 N48 S24 -","4","0.5","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.081","0.0473","","","0.1059","0.1222","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515776","16.5444","0.0008","16.5444","0.0008","11.2559","0.0011","90","","90","","120","","2668.2","0.3","125","2","125","2","","","","","","","","7","P -3","-P 3","147","","","","- C45 H43 B2 F15 Ga N9 S3 -","- C39 H34 B2 F15 Ga N6 S3 -","- C78 H68 B4 F30 Ga2 N12 S6 -","2","0.333333","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0518","0.0354","","","0.0735","0.0767","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515777","15.8552","0.0007","12.7781","0.0005","18.4005","0.0008","90","","100.18","0.001","90","","3669.2","0.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B Cl3 Ga2 N6 S4 -","- C27 H40 B Cl3 Ga2 N6 S4 -","- C108 H160 B4 Cl12 Ga8 N24 S16 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0706","0.0393","","","0.0845","0.0958","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515778","16.0697","0.0007","17.5534","0.0008","26.6647","0.0012","90","","95.197","0.001","90","","7490.6","0.6","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 B Cl5 Ga2 N7 S3 -","- C23 H37 B Cl5 Ga2 N7 S3 -","- C184 H296 B8 Cl40 Ga16 N56 S24 -","8","2","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0375","0.0279","","","0.0672","0.0722","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515779","11.0927","0.0005","14.4146","0.0007","16.1852","0.0008","98.23","0.001","107.155","0.001","112.117","0.001","2194.38","0.18","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H36 B Cl11 Ga2 N6 S3 -","- C21 H34 B Cl5 Ga2 N6 S3 -","- C42 H68 B2 Cl10 Ga4 N12 S6 -","2","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0509","0.0421","","","0.1282","0.1342","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515780","11.9637","0.0012","13.0055","0.0013","16.595","0.003","99.187","0.002","102.166","0.002","113.54","0.001","2226.7","0.5","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H46 B Cl5 Ga2 N6 S3 -","- C33 H46 B Cl5 Ga2 N6 S3 -","- C66 H92 B2 Cl10 Ga4 N12 S6 -","2","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.072","0.0389","","","0.0717","0.0807","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515781","11.4967","0.0017","11.4967","0.0017","16.993","0.005","90","","90","","120","","1945.1","0.7","125","2","125","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H86 B2 Ga2 I2 N18 S6 -","- C42 H68 B2 Ga2 I2 N12 S6 -","- C42 H68 B2 Ga2 I2 N12 S6 -","1","0.166667","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0747","0.0653","","","0.1748","0.1792","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515782","11.241","0.007","11.857","0.007","15.252","0.009","110.582","0.009","107.533","0.009","94.069","0.009","1778.7","1.9","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H80 B2 Cl8 Ga4 N12 O2 S6 -","- C48 H80 B2 Cl8 Ga4 N12 O2 S6 -","- C48 H80 B2 Cl8 Ga4 N12 O2 S6 -","1","0.5","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.1247","0.0564","","","0.087","0.1019","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515783","11.6794","0.0005","16.382","0.0007","19.208","0.0008","90","","91.443","0.001","90","","3673.9","0.3","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B Ga I2 N6 S3 -","- C27 H40 B Ga I2 N6 S3 -","- C108 H160 B4 Ga4 I8 N24 S12 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0686","0.0371","","","0.0758","0.0857","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515784","18.8235","0.0011","18.8235","0.0011","18.8235","0.0011","90","","90","","90","","6669.6","0.7","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","FeBTT","","","- C24 H8 Cl Fe4 N32 O4 -","- C24 H8 Cl Fe4 N32 O4 -","- C72 H24 Cl3 Fe12 N96 O12 -","3","0.0625","","Sumida, Kenji; Horike, Satoshi; Kaye, Steven S.; Herm, Zoey R.; Queen, Wendy L.; Brown, Craig M.; Grandjean, Fernande; Long, Gary J.; Dailly, Anne; Long, Jeffrey R.","Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal‒organic framework (Fe-BTT) discovered via high-throughput methods","Chemical Science","2010","1","2","184","","10.1039/c0sc00179a","","","1.54178","CuKα","","0.0387","0.0353","","","0.0971","0.099","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515785","8.932","0.0001","12.45","0.0002","22.583","0.0004","93.679","0.0009","100.549","0.0012","98.64","0.0011","2429.96","0.07","120","2","120","2","","","","","","","Phil Gale","4","P 1","P 1","1","","","","- C104 H151 N11 O10 -","- C104 H151 N11 O10 -","- C104 H151 N11 O10 -","1","1","","Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.","Acyclic indole and carbazole-based sulfate receptors","Chemical Science","2010","1","2","215","","10.1039/c0sc00202j","","","0.71073","MoKα","","0.0811","0.0613","","","0.1183","0.1288","","","","","","1.229","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515786","14.786","0.0006","17.7836","0.0006","25.6491","0.001","90","","103.512","0.002","90","","6557.7","0.4","120","2","120","2","","","","","","","Jenny Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H99 N10 O7 P -","- C67 H99 N10 O7 P -","- C268 H396 N40 O28 P4 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.","Acyclic indole and carbazole-based sulfate receptors","Chemical Science","2010","1","2","215","","10.1039/c0sc00202j","","","0.71073","MoKα","","0.2672","0.1595","","","0.2338","0.2775","","","","","","1.191","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515787","8.7802","0.0001","16.9156","0.0004","22.1638","0.0005","88.1703","0.0011","85.7351","0.0012","82.7653","0.0013","3255.72","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H98 N10 O7 S -","- C67 H98 N10 O7 S -","- C134 H196 N20 O14 S2 -","2","1","","Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.","Acyclic indole and carbazole-based sulfate receptors","Chemical Science","2010","1","2","215","","10.1039/c0sc00202j","","","0.71073","MoKα","","0.1087","0.0739","","","0.163","0.1836","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515788","9.5228","0.0013","7.4316","0.0011","9.7945","0.0014","90","","103.092","0.003","90","","675.14","0.17","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H19 O4 P Si -","- C9 H19 O4 P Si -","- C18 H38 O8 P2 Si2 -","2","1","","Uraguchi, Daisuke; Ito, Takaki; Nakamura, Shinji; Ooi, Takashi","Catalytic asymmetric hydrophosphonylation of ynones","Chemical Science","2010","1","4","488","","10.1039/c0sc00268b","","","0.71073","MoKα","","0.0412","0.0388","","","0.0968","0.099","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515789","17.1243","0.001","17.1243","","4.1859","0.0009","90","","90","","90","","1227.5","0.3","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","CuSePh","","","- C6 H5 Cu Se -","- C6 H5 Cu Se -","- C48 H40 Cu8 Se8 -","8","1","","Low, Kam-Hung; Li, Cheng-Hui; Roy, Vellaisamy A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming","Homoleptic copper(i) phenylselenolate polymer as a single-source precursor for Cu2Se nanocrystals. Structure, photoluminescence and application in field-effect transistor","Chemical Science","2010","1","4","515","","10.1039/c0sc00212g","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06999","","1.4","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515790","16.2608","0.0016","16.2608","0.0016","34.648","0.005","90","","90","","90","","9161.4","1.8","167","2","167","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C50 H58 O4.5 P -","- C50 H58 O4.5 P -","- C400 H464 O36 P8 -","8","1","","Rueping, Magnus; Theissmann, Thomas","Asymmetric Brønsted acid catalysis in aqueous solution","Chemical Science","2010","1","4","473","","10.1039/c0sc00206b","","","0.71073","MoKα","","0.0993","0.0758","","","0.1158","0.1214","","","","","","1.296","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515791","25.774","0.009","17.105","0.004","22.731","0.007","90","","121.38","0.02","90","","8555","5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48.5 H29 Cl O4 P Pd0.25 -","- C48.5 H29 Cl O4 P Pd0.25 -","- C388 H232 Cl8 O32 P8 Pd2 -","8","2","","Rueping, Magnus; Theissmann, Thomas","Asymmetric Brønsted acid catalysis in aqueous solution","Chemical Science","2010","1","4","473","","10.1039/c0sc00206b","","","0.71073","MoKα","","0.4924","0.2523","","","0.4892","0.6271","","","","","","0.998","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515792","19.959","0.005","19.89","0.005","13.407","0.003","90","","90","","90","","5322","2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22.32 F2 N2 O97 Si48 -","- C10 H22.32 F2 N2 O97 Si48 -","- C20 H44.64 F4 N4 O194 Si96 -","2","0.25","","Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.","Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites","Chemical Science","2010","1","4","483","","10.1039/c0sc00178c","","","0.7749","synchrotron","","0.1416","0.0735","","","0.1857","0.2133","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515793","13.824","","17.42","","5.052","","90","","90","","90","","1216.59","","150","2","150","2","","","","","","","","2","C m c 21","C 2c -2","36","(bmIm)-Theta-1","[bmIm]-Theta-1","","- O16 Si8 -","- O16 Si8 -","- O48 Si24 -","3","0.375","","Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.","Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites","Chemical Science","2010","1","4","483","","10.1039/c0sc00178c","","","0.7749","synchrotron","","0.1272","0.104","","","0.2693","0.2851","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515794","14.3831","0.0017","10.975","0.0013","19.628","0.002","90","","95.579","0.002","90","","3083.7","0.6","90","2","90","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C68 H88 Cl2 Ge2 O2 -","- C68 H88 Cl2 Ge2 O2 -","- C136 H176 Cl4 Ge4 O4 -","2","0.25","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0696","0.0543","","","0.1459","0.1511","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515795","14.908","0.004","11.003","0.003","19.38","0.005","90","","98.493","0.004","90","","3144.1","1.5","90","2","90","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C72 H84 Cl2 Sn2 -","- C74 H84 Cl2 Sn2 -","- C148 H168 Cl4 Sn4 -","2","0.25","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1096","0.0792","","","0.2301","0.2419","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515796","12.753","0.003","11.666","0.003","23.95","0.005","90","","90.305","0.003","90","","3563.1","1.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H102 Ge2 Sn2 -","- C77.04 H101.04 Ge2 Sn2 -","- C154.08 H202.08 Ge4 Sn4 -","2","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0809","0.0706","","","0.1683","0.1712","","","","","","1.214","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515797","12.915","0.0008","45.098","0.003","22.5681","0.0014","90","","98.67","0.001","90","","12994.4","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H92.5 Ge2 O0.25 Si2 -","- C67 H92.5 Ge2 O0.25 Si2 -","- C536 H740 Ge16 O2 Si16 -","8","2","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1435","0.0787","","","0.1695","0.1932","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515798","12.7007","0.0004","11.7079","0.0004","24.3198","0.0008","90","","90.138","0.001","90","","3616.3","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H106 Si2 Sn2 -","- C80 H106 Si2 Sn2 -","- C160 H212 Si4 Sn4 -","2","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0287","0.024","","","0.0638","0.066","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515799","10.851","0.002","12.507","0.002","13.88","0.003","96.444","0.003","97.785","0.003","114.634","0.003","1666.5","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H94 O2 Sn2 -","- C76 H94 O2 Sn2 -","- C76 H94 O2 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0662","0.0623","","","0.1678","0.1696","","","","","","1.163","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515800","10.5215","0.0006","12.0825","0.0007","15.337","0.0009","103.218","0.001","107.001","0.001","91.541","0.001","1805.9","0.18","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H106 Sn2 -","- C82 H106 Sn2 -","- C82 H106 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0441","0.0328","","","0.093","0.1041","","","","","","0.767","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515801","15.153","0.004","22.6","0.006","26.212","0.007","90","","100.842","0.004","90","","8816","4","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C203 H284 Ge4 -","- C203 H284 Ge4 -","- C406 H568 Ge8 -","2","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1798","0.0974","","","0.2632","0.2985","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515802","15.1577","0.001","22.7946","0.0015","36.174","0.003","75.115","0.001","84.218","0.001","78.732","0.001","11829.5","1.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.6667 H123.6667 O0.16667 Sn2 -","- C84.6667 H123.667 O0.166667 Sn2 -","- C508 H742 O Sn12 -","6","3","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1483","0.0716","","","0.1733","0.198","","","","","","0.955","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515803","20.3965","0.0016","15.7884","0.0013","17.1574","0.0014","90","","90","","90","","5525.2","0.8","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C60 H72 Cl4 Sn2 -","- C60 H72 Cl4 Sn2 -","- C240 H288 Cl16 Sn8 -","4","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0691","0.0568","","","0.1251","0.1304","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515804","11.3422","0.0006","12.9163","0.0006","15.1478","0.0011","112.053","0.001","103.247","0.001","103.156","0.001","1877.18","0.19","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H106 Cl2 Si2 Sn2 -","- C80 H106 Cl2 Si2 Sn2 -","- C80 H106 Cl2 Si2 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0312","0.0295","","","0.08","0.0813","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515805","23.035","0.004","10.8053","0.0017","27.61","0.004","90","","98.801","0.002","90","","6791.2","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H94 Cl2 O2 Sn2 -","- C76 H94 Cl2 O2 Sn2 -","- C304 H376 Cl8 O8 Sn8 -","4","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0646","0.0534","","","0.1407","0.1463","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515806","11.9294","0.0005","18.4084","0.0008","20.7414","0.0009","114.657","0.002","105.431","0.002","90.806","0.002","3949.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H122 Cl0.13 Ge2 I1.87 -","- C84 H122 Cl0.13 Ge2 I1.87 -","- C168 H244 Cl0.26 Ge4 I3.74 -","2","1","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0948","0.0542","","","0.1301","0.1423","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515807","16.5067","0.0005","9.4895","0.0003","26.1959","0.0007","90","","108.267","0.001","90","","3896.6","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H61 Cl Sn -","- C42 H61 Cl Sn -","- C168 H244 Cl4 Sn4 -","4","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0821","0.0738","","","0.1904","0.197","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515808","11.4346","0.0013","12.9085","0.0015","15.1952","0.0017","111.709","0.002","103.674","0.002","103.032","0.002","1899.2","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H106 Cl1.7 Ge2 I0.3 Sn2 -","- C80 H106 Cl1.7 Ge2 I0.3 Sn2 -","- C80 H106 Cl1.7 Ge2 I0.3 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0536","0.0403","","","0.1078","0.1142","","","","","","1.074","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515809","10.129","0.0006","18.6652","0.0011","21.536","0.0013","75.478","0.003","88.638","0.003","78.94","0.003","3867","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H52 N3 O6.5 Si2 -","- C35 H52 N3 O6.5 Si2 -","- C140 H208 N12 O26 Si8 -","4","2","","Goldup, Stephen M.; Leigh, David A.; McBurney, Roy T.; McGonigal, Paul R.; Plant, Andrew","Ligand-assisted nickel-catalysed sp3‒sp3 homocoupling of unactivated alkyl bromides and its application to the active template synthesis of rotaxanes","Chemical Science","2010","1","3","383","","10.1039/c0sc00279h","","","0.71073","MoKα","","0.0591","0.0503","","","0.1215","0.1284","","","","","","1.051","","","","has coordinates","211139","2020-10-21","18:00:00",""
"1515810","14.3987","0.0007","10.4231","0.0005","28.2627","0.0015","90","","98.277","0.001","90","","4197.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H65 N2 P2 V -","- C44.5 H65 N2 P2 V -","- C178 H260 N8 P8 V4 -","4","1","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.71073","MoKα","","0.0405","0.0333","","","0.0861","0.0906","","","","","","1.032","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515811","32.471","0.006","10.7761","0.0018","28.001","0.004","90","","95.454","0.007","90","","9753","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H155 N5 P6 V2 -","- C100 H155 N5 P6 V2 -","- C400 H620 N20 P24 V8 -","4","0.5","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.71073","MoKα","","0.0599","0.0384","","","0.0904","0.101","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515812","18.1601","0.0005","19.1808","0.0005","20.2261","0.0005","90","","90","","90","","7045.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H50 N P2 V -","- C38 H50 N P2 V -","- C304 H400 N8 P16 V8 -","8","1","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.41328","synchrotron","","0.044","0.0319","","","0.0795","0.0876","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515813","33.636","0.0003","11.4193","0.0005","18.0125","0.0009","90","","90","","90","","6918.6","0.5","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H34 Cl2 F6 N2 O6 Pd2 -","- C29 H34 Cl2 F6 N2 O6 Pd2 -","- C232 H272 Cl16 F48 N16 O48 Pd16 -","8","2","","Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.","Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate","Chemical Science","2010","1","3","331","","10.1039/c0sc00231c","","","0.71073","MoKα","","0.0898","0.0546","","","0.1166","0.1359","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515814","27.0838","0.0008","16.8253","0.0006","14.3465","0.0004","90","","121.236","0.0015","90","","5589.9","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 F6 N2 O6 Pd2 -","- C24 H20 F6 N2 O6 Pd2 -","- C192 H160 F48 N16 O48 Pd16 -","8","1","","Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.","Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate","Chemical Science","2010","1","3","331","","10.1039/c0sc00231c","","","0.71073","MoKα","","0.0928","0.0501","","","0.12","0.1374","","","","","","0.983","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515817","11.66","0.003","21.626","0.006","8.49","0.002","90","","90","0.02","90","","2140.8","1","123","1","123","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 As5 Cl3 Cu3 Fe N -","- C12 H18 As5 Cl3 Cu3 Fe N -","- C48 H72 As20 Cl12 Cu12 Fe4 N4 -","4","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","0.71073","MoKα","","0.0464","0.0427","","","0.1015","0.103","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515818","11.8229","0.0004","21.7908","0.0008","8.6497","0.0002","90","","90.118","0.002","90","","2228.42","0.12","123","0.1","123","0.1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 As5 Br3 Cu3 Fe N -","- C12 H18 As5 Br3 Cu3 Fe N -","- C48 H72 As20 Br12 Cu12 Fe4 N4 -","4","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","1.54178","CuKα","","0.0472","0.0381","","","0.0839","0.0889","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515819","8.4256","0.0006","10.9119","0.0008","11.482","0.0009","71.256","0.007","81.825","0.006","78.273","0.006","975.42","0.13","123","1","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C10 H15 As5 Cu2 Fe I2 -","- C10 H15 As5 Cu2 Fe I2 -","- C20 H30 As10 Cu4 Fe2 I4 -","2","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","1.54178","CuKα","","0.0485","0.0337","","","0.0711","0.0727","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515820","15.6513","0.0002","11.7371","0.0003","24.53","0.0005","90","","90","","90","","4506.18","0.16","123","0.1","123","0.1","","","","","","","see text","7","P n m a","-P 2ac 2n","62","","","","- C11 H17 As5 Cl2 Cu2 Fe I2 -","- C11 H17 As5 Cl2 Cu2 Fe I2 -","- C88 H136 As40 Cl16 Cu16 Fe8 I16 -","8","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","1.54184","CuKα","","0.0464","0.0322","","","0.0741","0.0799","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515821","11.892","0.009","15.074","0.011","9.64","0.007","90","","90","","90","","1728","2","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Cl2 Cu N3 -","- C15 H24 Cl2 Cu N3 -","- C60 H96 Cl8 Cu4 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0442","0.033","","","0.0756","0.0805","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515822","12.3103","0.0014","15.3429","0.0017","9.6916","0.0011","90","","90","","90","","1830.5","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Br2 Cu N3 -","- C15 H24 Br2 Cu N3 -","- C60 H96 Br8 Cu4 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0374","0.0266","","","0.0547","0.0576","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515823","7.165","0.0006","17.7756","0.0014","15.0327","0.0012","90","","99.274","0.001","90","","1889.6","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cu I2 N3 -","- C15 H24 Cu I2 N3 -","- C60 H96 Cu4 I8 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0367","0.0259","","","0.0615","0.0644","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515824","12.47","0.002","15.254","0.003","9.07","0.0017","90","","90","","90","","1725.3","0.5","300","2","300","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H24 Cl2 Cu N3 O -","- C14 H24 Cl2 Cu N3 O -","- C56 H96 Cl8 Cu4 N12 O4 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0496","0.0455","","","0.1358","0.1419","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515825","15.441","0.007","16.225","0.007","16.686","0.008","66.117","0.007","83.242","0.008","70.542","0.008","3603","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cu I2 N3 -","- C14 H22 Cu I2 N3 -","- C112 H176 Cu8 I16 N24 -","8","4","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0971","0.0508","","","0.1291","0.1489","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515826","4.716","0.0003","27.833","0.002","10.8881","0.0007","90","","96.103","0.007","90","","1421.08","0.17","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","coordination pillared layer strcuture","coordination pillared layer strcuture","","- C11 H6 Cu N3 O4 -","- C11 H6 Cu N3 O4 -","- C44 H24 Cu4 N12 O16 -","4","1","","Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu","Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer","Chemical Science","2010","1","3","315","","10.1039/c0sc00272k","powder diffraction","","0.80092","synchrotron","","","","","","","","","0.0456","1.5416","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515827","4.651","0.002","34.683","0.004","10.812","0.001","90","","95.8","0.02","90","","1735.2","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","coordination pillared layer strcuture","","- C12 H6 Cu N5 O4 -","- C12 H6 Cu N5 O4 -","- C48 H24 Cu4 N20 O16 -","4","1","","Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu","Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer","Chemical Science","2010","1","3","315","","10.1039/c0sc00272k","powder diffraction","","0.80101","synchrotron","","","","","","","","","0.0362","1.3685","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515828","4.7331","0.00016","19.9244","0.0004","10.8678","0.0003","90","","96.009","0.004","90","","1019.25","0.05","390","","390","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","coordination pillared layer strcuture","","- C8 H4 Cu N3 O4 -","- C8 H4 Cu N3 O4 -","- C32 H16 Cu4 N12 O16 -","4","1","","Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu","Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer","Chemical Science","2010","1","3","315","","10.1039/c0sc00272k","powder diffraction","","0.80092","synchrotron","","","","","","","","","0.04992","1.0948","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515829","13.6816","0.0008","14.9382","0.0008","19.8125","0.0012","100.854","0.004","103.727","0.004","109.497","0.004","3546.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H79 Co N4 O3.5 -","- C78.5 H79 Co N4 O3.5 -","- C157 H158 Co2 N8 O7 -","2","1","","McGuire Jr., Robert; Dogutan, Dilek K.; Teets, Thomas S.; Suntivich, Jin; Shao-Horn, Yang; Nocera, Daniel G.","Oxygen reduction reactivity of cobalt(ii) hangman porphyrins","Chemical Science","2010","1","3","411","","10.1039/c0sc00281j","","","1.54178","CuKα","","0.1593","0.1232","","","0.333","0.3578","","","","","","1.218","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515830","10.6855","0.0004","7.9692","0.0003","21.0861","0.0008","90","","102.213","0.002","90","","1754.95","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Sampath, Magesh; Loh, Teck-Peng","Highly enantio-, regio- and diastereo-selective one-pot [2 + 3]-cycloaddition reaction via isomerization of 3-butynoates to allenoates,","Chemical Science","2010","1","6","739","","10.1039/c0sc00123f","","","0.71073","MoKα","","0.0795","0.0572","","","0.1778","0.2204","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515831","5.0359","0.00003","7.07342","0.00004","12.65425","0.00006","90","","90","","90","","450.757","0.004","293","","293","","101","","101","","","","","4","P b c m","-P 2c 2b","57","","","","- Bi Fe2 Mn O6 -","- Bi Fe2 Mn O6 -","- Bi4 Fe8 Mn4 O24 -","4","0.5","","Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha","BiMnFe2O6, a polysynthetically twinned hcp MO structure","Chemical Science","2010","1","6","751","","10.1039/c0sc00348d","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515832","16.3194","0.0013","10.7454","0.0005","22.9601","0.0017","90","","97.397","0.006","90","","3992.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 Fe2 N4 O -","- C43 H60 Fe2 N4 O -","- C172 H240 Fe8 N16 O4 -","4","1","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot","N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,","Chemical Science","2010","1","6","697","","10.1039/c0sc00451k","","","0.71073","MoKα","","0.1363","0.0981","","","0.2727","0.3049","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515833","15.253","0.002","9.8425","0.0017","16.706","0.002","90","","95.195","0.011","90","","2497.7","0.6","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Fe N3 -","- C26 H39 Fe N3 -","- C104 H156 Fe4 N12 -","4","1","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot","N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,","Chemical Science","2010","1","6","697","","10.1039/c0sc00451k","","","0.71073","MoKα","","0.1205","0.0482","","","0.0712","0.0858","","","","","","0.828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515834","12.1007","0.0016","17.09","0.002","11.5086","0.0013","90","","97.616","0.01","90","","2359","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Fe N2 O2 -","- C25 H36 Fe N2 O2 -","- C100 H144 Fe4 N8 O8 -","4","1","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot","N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,","Chemical Science","2010","1","6","697","","10.1039/c0sc00451k","","","0.71073","MoKα","","0.1129","0.0474","","","0.0599","0.0719","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515835","9.9447","0.0019","11.839","0.002","11.991","0.002","117.625","0.006","92.392","0.009","99.186","0.008","1223.9","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H44 P2 -","- C24 H44 P2 -","- C48 H88 P4 -","2","1","","Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.","Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene","Chemical Science","2010","1","6","723","","10.1039/c0sc00276c","","","0.71073","MoKα","","0.0452","0.0404","","","0.1045","0.1089","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515836","9.1553","0.0015","19.646","0.003","15.159","0.003","90","","101.766","0.005","90","","2669.3","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl2 P2 Pd -","- C24 H44 Cl2 P2 Pd -","- C96 H176 Cl8 P8 Pd4 -","4","1","","Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.","Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene","Chemical Science","2010","1","6","723","","10.1039/c0sc00276c","","","0.71073","MoKα","","0.0354","0.0315","","","0.071","0.0738","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515837","7.722","0.002","15.101","0.004","24.95","0.007","90.779","0.007","97.485","0.009","92.145","0.01","2882.1","1.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 B2 F8 P2 -","- C24 H46 B2 F8 P2 -","- C96 H184 B8 F32 P8 -","4","2","","Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.","Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene","Chemical Science","2010","1","6","723","","10.1039/c0sc00276c","","","0.71073","MoKα","","0.1119","0.0953","","","0.2107","0.2225","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515838","10.6909","0.0019","10.6557","0.0016","12.547","0.002","90","","110.269","0.004","90","","1340.8","0.4","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C52 H82 N2 O18 -","2","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0535","0.0466","","","0.102","0.1082","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515839","5.9601","0.001","10.917","0.0017","20.891","0.004","90","","94.816","0.004","90","","1354.5","0.4","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C52 H82 N2 O18 -","2","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0453","0.043","","","0.1044","0.1061","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515840","10.5979","0.0011","11.4345","0.0012","23.237","0.002","90","","90","","90","","2815.9","0.5","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C104 H164 N4 O36 -","4","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0502","0.0462","","","0.1224","0.1259","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515847","9.5341","0.0006","16.1645","0.0012","13.717","0.0008","90","","90.539","0.004","90","","2113.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Br2 Fe N8 -","- C16 H28 Br2 Fe N8 -","- C64 H112 Br8 Fe4 N32 -","4","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0845","0.0564","","","0.1574","0.1954","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515848","13.1775","0.0003","13.2415","0.0003","18.3584","0.0004","93.46","0.001","97.33","0.001","90.471","0.001","3170.97","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H80 B2 Fe N10 -","- C73 H80 B2 Fe N10 -","- C146 H160 B4 Fe2 N20 -","2","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0983","0.0698","","","0.1735","0.1928","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515849","13.04","0.003","13.169","0.003","22.292","0.005","76.65","0.03","79.24","0.03","60.99","0.03","3244.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H76 B2 Fe N10 -","- C74 H76 B2 Fe N10 -","- C148 H152 B4 Fe2 N20 -","2","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0874","0.0612","","","0.1704","0.1831","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515850","45.6638","0.0008","12.6323","0.0002","24.6196","0.0004","90","","98.831","0.001","90","","14033.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 B2 Fe N10 -","- C76 H76 B2 Fe N10 -","- C608 H608 B16 Fe8 N80 -","8","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0829","0.0563","","","0.1542","0.1653","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515851","8.42","0.0004","10.445","0.0004","15.4972","0.0007","81.045","0.003","74.819","0.003","68.224","0.003","1218.9","0.1","160","1","160","1","","","","","","","","2","P -1","-P 1","2","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0821","0.053","","","0.1252","0.143","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515852","8.3091","0.0002","10.524","0.0002","15.4592","0.0003","80.8186","0.0009","74.9937","0.0011","67.8783","0.001","1206.7","0.04","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N -","- C31 H29 N -","- C62 H58 N2 -","2","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0882","0.0558","","","0.1386","0.1591","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515853","10.1034","0.0004","14.8715","0.0006","17.8686","0.0007","74.014","0.003","75.146","0.003","78.92","0.002","2473.28","0.18","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","2","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0845","0.0546","","","0.1239","0.1458","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515854","18.9732","0.0007","14.5707","0.0005","8.6223","0.0004","90","","90","","90","","2383.66","0.16","160","1","160","1","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","0.5","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0745","0.0485","","","0.113","0.1312","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515855","9.5378","0.0003","11.7657","0.0004","13.6855","0.0006","85.769","0.002","88.725","0.002","71.627","0.002","1453.51","0.09","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C66 H72 Cl4 O4 -","- C58 H54 O4 -","- C58 H54 O4 -","1","0.5","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0998","0.0661","","","0.172","0.1903","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515856","9.5501","0.0002","11.9607","0.0003","13.4618","0.0003","85.7591","0.0015","88.837","0.0013","71.1797","0.0013","1451.48","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C61 H61 Cl8 N O4 -","- C57 H53 N O4 -","- C57 H53 N O4 -","1","0.5","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.1006","0.0786","","","0.2264","0.2454","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515857","21.7475","0.0004","36.719","0.0011","12.9048","0.0007","90","","95.5386","0.001","90","","10257","0.7","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 O4 -","- C64 H58 O4 -","- C512 H464 O32 -","8","2","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.1904","0.0876","","","0.1709","0.21","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515858","29.4698","0.0004","13.9924","0.0002","16.0684","0.0002","90","","102.496","0.0008","90","","6468.88","0.15","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H70 O4 -","- C82 H70 O4 -","- C328 H280 O16 -","4","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.1338","0.0868","","","0.2297","0.2708","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515859","35.6175","0.001","9.396","0.0003","14.925","0.0004","90","","92.4734","0.0018","90","","4990.2","0.3","160","1","160","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C66 H50 O4 -","- C66 H50 O4 -","- C264 H200 O16 -","4","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0807","0.0724","","","0.1797","0.189","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515860","12.9195","0.0003","26.1804","0.0007","13.8321","0.0003","90","","114.575","0.0012","90","","4254.73","0.18","160","1","160","1","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C52 H50 O4 -","- C52 H50 O4 -","- C208 H200 O16 -","4","2","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0911","0.0526","","","0.0998","0.1166","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515861","37.295","0.004","37.295","0.004","37.295","0.004","90","","90","","90","","51874","10","150","2","150","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C32 H138 Cu4 F4 N12 O33 -","- C29.7667 H96 Cu4 F4 N12 O32.28 -","- C714.4 H2304 Cu96 F96 N288 O774.72 -","24","0.25","","Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy","Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry","Chemical Science","2010","1","1","62","","10.1039/c0sc00264j","","","1.5418","CuKα","","0.0592","0.0526","","","0.1495","0.1625","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515862","28.3688","0.0003","28.3688","0.0003","12.3891","0.0002","90","","90","","120","","8634.8","0.19","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C13 H44 Cu N6 O13 S2 -","- C12.5 H32 Cu N6 O10.5 S2 -","- C150 H384 Cu12 N72 O126 S24 -","12","1","","Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy","Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry","Chemical Science","2010","1","1","62","","10.1039/c0sc00264j","","","1.54178","CuKα","","0.1324","0.0909","","","0.2439","0.2694","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515863","13.8458","0.0015","22.974","0.003","13.2064","0.0015","90","","116.74","0.007","90","","3751.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 F24 N12 O4 P4 -","- C66 H76 F24 N12 O4 P4 -","- C132 H152 F48 N24 O8 P8 -","2","0.5","","Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser","Enabling tetracationic cyclophane production by trading templates","Chemical Science","2010","1","1","119","","10.1039/c0sc00176g","","","1.54178","CuKα","","0.0609","0.0498","","","0.1224","0.137","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515864","7.3165","0.001","13.7561","0.0011","20.634","0.002","90","","97.195","0.008","90","","2060.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F24 N4 P4 -","- C36 H32 F24 N4 P4 -","- C72 H64 F48 N8 P8 -","2","0.5","","Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser","Enabling tetracationic cyclophane production by trading templates","Chemical Science","2010","1","1","119","","10.1039/c0sc00176g","","","1.54178","CuKα","","0.1104","0.068","","","0.1683","0.1972","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515865","14.258","0.003","18.699","0.004","23.046","0.005","90","","106.19","0.03","90","","5901","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H58 Cl3 N O8 U -","- C64.5 H58 Cl3 N O8 U -","- C258 H232 Cl12 N4 O32 U4 -","4","1","","Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius","Encapsulation of the uranyl dication","Chemical Science","2010","1","1","43","","10.1039/c0sc00116c","","","0.71073","MoKα","","0.0957","0.061","","","0.1602","0.1765","","","","","","1.008","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515866","18.534","0.004","19.636","0.004","19.425","0.004","90","","97.62","0.03","90","","7007","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H86 N2 O18 U -","- C73 H78 N2 O18 U -","- C292 H312 N8 O72 U4 -","4","1","","Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius","Encapsulation of the uranyl dication","Chemical Science","2010","1","1","43","","10.1039/c0sc00116c","","","0.71073","MoKα","","0.0838","0.0549","","","0.1264","0.1428","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515867","13.9209","0.0003","15.6412","0.0004","17.1341","0.0004","104.914","0.001","106.384","0.001","102.47","0.001","3286.93","0.14","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C71 H50 B F24 Ir N O P -","- C71 H50 B F24 Ir N O P -","- C142 H100 B2 F48 Ir2 N2 O2 P2 -","2","1","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0473","0.0324","","0.0447","0.0322","0.0311","","","","","","1.1021","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515868","13.5137","0.0006","19.4816","0.0009","27.1434","0.0011","90","","90","","90","","7146","0.5","123","","123","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C68.95 H68.7 B Cl1.1 F24 Ir N O P -","- C68.95 H68.7 B Cl1.1 F24 Ir N O P -","- C275.8 H274.8 B4 Cl4.4 F96 Ir4 N4 O4 P4 -","4","1","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0314","0.0264","","0.0343","0.0285","0.0279","","","","","","1.1252","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515869","44.28","0.002","12.7293","0.0006","25.6592","0.0011","90","","95.409","0.004","90","","14398.5","1.1","123","","123","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C72 H74 B F24 Ir N O2 P -","- C72 H74 B F24 Ir N O2 P -","- C576 H592 B8 F192 Ir8 N8 O16 P8 -","8","2","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0707","0.0442","","0.0667","0.0428","0.0409","","","","","","0.975","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515870","12.8218","0.0004","14.836","0.0005","18.8757","0.0006","96.898","0.002","99.557","0.002","95.874","0.002","3487.6","0.2","123","","123","","","","","","","","","8","P 1","P 1","1","","","","- C77 H56 B F24 Ir N O P -","- C77 H56 B F24 Ir N O P -","- C154 H112 B2 F48 Ir2 N2 O2 P2 -","2","2","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0334","0.0273","","0.0445","0.0307","0.0304","","","","","","0.9675","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515871","7.6503","0.0002","12.8616","0.0004","18.8654","0.0006","106.228","0.001","98.815","0.002","101.265","0.001","1704.86","0.09","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","4","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0446","0.0408","","0.0636","0.0472","0.0472","","","","","","1.1103","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515872","13.2952","0.0005","18.3006","0.0006","19.3162","0.0006","90","","98.362","0.002","90","","4649.9","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 B F24 Ir -","- C48 H36 B F24 Ir -","- C192 H144 B4 F96 Ir4 -","4","1","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0884","0.0424","","0.0718","0.0447","0.0447","","","","","","1.3459","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515882","12.1651","0.0004","11.0065","0.0003","11.8112","0.0003","90","","99.351","0.001","90","","1560.45","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TripSNH3","","","- C15 H26 Sn -","- C15 H26 Sn -","- C60 H104 Sn4 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0147","0.0132","","","0.035","0.036","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515883","13.7423","0.0003","19.1733","0.0005","18.7204","0.0005","90","","105.761","0.001","90","","4747.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H74 N2 Sn -","- C52 H74 N2 Sn -","- C208 H296 N8 Sn4 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0312","0.0256","","","0.0578","0.0605","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515884","15.8297","0.0006","14.7507","0.0006","43.5163","0.0017","90","","97.259","0.002","90","","10079.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 Sn6 -","- C104 H154 Sn6 -","- C416 H616 Sn24 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0594","0.0388","","","0.0728","0.0801","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515885","12.6984","0.0007","7.5774","0.0004","15.0315","0.0009","90","","102.303","0.006","90","","1413.13","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0593","0.0526","","","0.1483","0.1553","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515886","6.9028","0.0018","11.787","0.002","25.657","0.012","89.74","0.02","87.38","0.03","85.551","0.018","2079.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Br N O2 S -","- C22 H20 Br N O2 S -","- C88 H80 Br4 N4 O8 S4 -","4","2","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.2131","0.1624","","","0.3726","0.4133","","","","","","1.265","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515887","12.8758","0.0003","17.5058","0.0004","18.2986","0.0004","90","","90","","90","","4124.53","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0608","0.0507","","","0.1066","0.1113","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515906","9.8","0.0002","12.6442","0.0002","23.2653","0.0003","100.197","0.001","100.351","0.001","100.798","0.001","2718.72","0.08","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm1929","","","- C60 H52 Mo2 N6 O10 -","- C60 H52 Mo2 N6 O10 -","- C120 H104 Mo4 N12 O20 -","2","1","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Spilker, Thomas F.; Young, Philip J.","Molybdenum‒molybdenum quadruple bonds supported by 9,10-anthraquinone carboxylate ligands. Molecular, electronic, ground state and unusual photoexcited state properties","Chemical Science","2014","5","7","2657","","10.1039/c4sc00341a","","x-ray","0.71073","MoKα","","0.0843","0.0449","","","0.1006","0.1108","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515907","13.6878","0.0003","11.4342","0.0003","27.5312","0.0006","90","","109.089","0.001","90","","4071.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 Al N3 O2 -","- C47 H55 Al N3 O2 -","- C188 H220 Al4 N12 O8 -","4","1","","Myers, T. W.; Berben, L. A.","Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2","Chemical Science","2014","5","7","2771","","10.1039/c4sc01035c","","","1.54178","CuKα","","0.0936","0.0666","","","0.176","0.1894","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515908","9.891","0.005","9.891","0.005","33.183","0.005","90","","90","","120","","2811","2","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 Co N4 O4 -","- C12 H30 Cl2 Co N4 O4 -","- C72 H180 Cl12 Co6 N24 O24 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71069","MoKα","","0.032","0.0287","","","0.0775","0.0801","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515909","12.0262","0.0004","12.0262","0.0004","12.0262","0.0004","90","","90","","90","","1739.34","0.1","100","1","100","1","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Co N4 -","- C12 H30 Br2 Co N4 -","- C48 H120 Br8 Co4 N16 -","4","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0282","0.0212","","","0.0288","0.0295","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515910","9.9025","0.0003","9.9025","0.0003","33.1835","0.0012","90","","90","","120","","2818.01","0.16","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 O4 Zn -","- C12 H30 Cl2 N4 O4 Zn -","- C72 H180 Cl12 N24 O24 Zn6 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0373","0.0283","","","0.0597","0.0639","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515962","18.5474","0.0014","18.5474","0.0014","18.5474","0.0014","90","","90","","90","","6380.4","0.8","298","2","298","2","","","","","","","synthesis","4","P n -3 n","-P 4a 2bc 3","222","","","","- C120 H84 N48 Zn12 -","- C120 H72 N48 O6 Zn12 -","- C240 H144 N96 O12 Zn24 -","2","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515963","15.55503","0.00099","15.55503","0.00099","20.0304","0.0016","90","","90","","90","","4846.5","0.6","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C34 H38 N12 O6 Zn3 -","- C27 H17 N12 Zn3 -","- C108 H68 N48 Zn12 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515964","15.4625","0.0013","15.4625","0.0013","20.0474","0.0022","90","","90","","90","","4793.1","0.8","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C38 H70 Co3 N12 O18 -","- C27 H17 Co3 N12 -","- C108 H68 Co12 N48 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515965","18.80701","0.00076","18.80701","0.00076","18.80701","0.00076","90","","90","","90","","6652.1","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C38 H70 Cu3 N12 O18 -","- C30 H18 Cu3 N12 O3 -","- C120 H72 Cu12 N48 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515966","18.54898","0.00083","18.54898","0.00083","18.54898","0.00083","90","","90","","90","","6382","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C33 H50 N12 Ni3 O13 -","- C30 H18 N12 Ni3 O3 -","- C120 H72 N48 Ni12 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515967","12.0405","0.0003","17.1549","0.0004","10.0631","0.0003","90","","90.406","0.001","90","","2078.52","0.09","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N2 O3 -","- C23 H23 N2 O3 -","- C92 H92 N8 O12 -","4","1","","Graham, Thomas J. A.; Shields, Jason D.; Doyle, Abigail G.","Transition metal-catalyzed cross coupling with N-acyliminium ions derived from quinolines and isoquinolines","Chemical Science","2011","2","5","980","","10.1039/c1sc00026h","","","0.71073","MoKα","","0.058","0.0479","","","0.1272","0.1376","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515996","24.242","0.009","24.242","0.009","24.242","0.009","90","","90","","90","","14246","9","350","","350","","","","","","","","","3","F 41 3 2","F 4d 2 3","210","","","","- C66 H72 N12 -","- C66 H72 N12 -","- C528 H576 N96 -","8","0.0833333","","Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Schiffmann, Florian; Jelfs, Kim E.; Chong, Samantha Y.; Little, Marc A.; Cooper, Andrew I.; Day, Graeme M.","Predicted crystal energy landscapes of porous organic cages","Chemical Science","2014","5","6","2235","","10.1039/c4sc00095a","","x-ray","0.71073","MoKα","","0.127","0.1146","","","0.2692","0.2904","","","","","","1.338","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516031","18.61","0.005","17.503","0.005","46.898","0.005","90","0.005","98.136","0.005","90","0.005","15122","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Br3 Cu N3 O P -","- C40 H31 Br3 Cu N3 O P -","- C640 H496 Br48 Cu16 N48 O16 P16 -","16","2","","Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian","A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action","Chemical Science","2014","5","7","2761","","10.1039/c4sc00384e","","","0.71069","MoKα","","0.1592","0.0849","","","0.2343","0.2537","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516033","6.0714","0.0008","17.224","0.002","19.62","0.003","90","","97.108","0.007","90","","2036","0.5","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","2","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0534","","","","0.1437","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516034","11.615","0.004","8.416","0.003","15.096","0.005","90","","109.245","0.008","90","","1393.2","0.8","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H31 Cl2 N O6 S -","- C29 H31 Cl2 N O6 S -","- C58 H62 Cl4 N2 O12 S2 -","2","1","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0502","","","","0.124","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516107","11.8101","0.0017","12.7217","0.0017","16.841","0.002","72.829","0.006","75.377","0.007","75.493","0.006","2296.4","0.5","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 N O5 S Si -","- C19 H33 N O5 S Si -","- C76 H132 N4 O20 S4 Si4 -","4","2","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","x-ray","0.71073","MoKα","","0.0433","0.0367","","","0.0956","0.1006","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516108","7.248","0.003","12.231","0.004","12.439","0.004","87.85","0.013","81.98","0.007","89.975","0.011","1091.2","0.7","200","1","200","1","","","","","","","Schomaker Lab CSA5062","6","P -1","-P 1","2","not specified","5-((tert-butyldimethylsilyl)oxy)-6-phenethyl-tetrahydrooxazolo[3,4-c][1,2,3]oxathiazepin-8(3H)-one 1,1-dioxide","","- C20 H31 N O6 S Si -","- C20 H31 N O6 S Si -","- C40 H62 N2 O12 S2 Si2 -","2","1","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","x-ray","0.71073","MoKα","","0.0424","0.0341","","","0.083","0.0879","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516109","6.9812","0.0005","22.209","0.002","14.9476","0.0008","90","","96.282","0.004","90","","2303.6","0.3","100","1.5","100","1.5","","","","","","","Schomaker Lab No. CSA5060","6","P 1 21/n 1","-P 2yn","14","5-((tert-butyldimethylsilyl)oxy)-6-phenethyl-tetrahydrooxazolo[3,4-c][1,2,3]oxathiazepin-8(3H)-one 1,1-dioxide","","","- C20 H31 N O6 S Si -","- C20 H31 N O6 S Si -","- C80 H124 N4 O24 S4 Si4 -","4","1","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","","0.71073","4","","0.0298","0.0287","","","","0.0739","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516150","6.5465","0.0017","7.844","0.002","38.945","0.01","90","","90","","90","","1999.9","0.9","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 S -","- C23 H24 O3 S -","- C92 H96 O12 S4 -","4","1","","Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi","In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation","Chemical Science","2014","5","9","3645","","10.1039/C4SC01032A","","","0.71073","MoKα","","0.0559","0.0235","","","0.042","0.0426","","","","","","0.662","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516158","28.893","0.005","5.2362","0.001","17.648","0.003","90","","118.696","0.002","90","","2342","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","- C96 H40 Br8 F32 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.05","0.0284","","","0.0638","0.071","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516159","36.953","0.004","5.2778","0.0006","11.5441","0.0012","90","","90.529","0.001","90","","2251.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-dibromooctafluoroazobenzene:azopyridine","","","- C22 H8 Br2 F8 N6 -","- C22 H8 Br2 F8 N6 -","- C88 H32 Br8 F32 N24 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0378","0.027","","","0.0651","0.07","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516160","29.154","0.005","5.2244","0.0009","18.283","0.003","90","","120.726","0.002","90","","2393.8","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C96 H40 F32 I8 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0397","0.0263","","","0.0551","0.0602","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516161","28.722","0.004","5.1901","0.0007","18.22","0.003","90","","120.623","0.001","90","","2337.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H8 F8 I2 N6 -","- C22 H8 F8 I2 N6 -","- C88 H32 F32 I8 N24 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0266","0.0214","","","0.0476","0.0498","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516162","40.225","0.005","5.8436","0.0007","25.726","0.003","90","","123.647","0.001","90","","5034","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C192 H80 F64 I16 N32 -","8","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0389","0.0277","","","0.058","0.0656","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516163","6.0828","0.0011","8.3133","0.0015","12.157","0.002","70.137","0.002","84.722","0.002","79.999","0.002","569.04","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","1","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0286","0.0238","","","0.0561","0.0578","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516164","5.9081","0.0006","8.3193","0.0009","23.198","0.002","94.956","0.001","93.481","0.001","95.848","0.001","1127.25","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Br2 F8 N6 -","- C22 H8 Br2 F8 N6 -","- C44 H16 Br4 F16 N12 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0672","0.0362","","","0.0615","0.0676","","","","","","0.78","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516165","5.8317","0.0006","8.5364","0.0009","23.47","0.003","95.753","0.001","96.748","0.001","95.828","0.001","1146.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C48 H20 F16 I4 N8 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0478","0.0315","","","0.0698","0.0763","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516166","5.8475","0.0018","8.445","0.003","23.132","0.007","94.99","0.003","95.779","0.003","96.339","0.003","1124","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trans-diiodooctafluoroazobenzene:azopyridine","","","- C22 H8 F8 I2 N6 -","- C22 H8 F8 I2 N6 -","- C44 H16 F16 I4 N12 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0371","0.0261","","","0.0534","0.0575","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516167","11.097","0.0009","8.2444","0.0007","26.821","0.002","90","","91.457","0.001","90","","2453","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C96 H40 F32 I8 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0291","0.0224","","","0.0427","0.0446","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516239","7.6763","0.0003","10.0446","0.0004","15.7356","0.0006","81.3","0.002","82.163","0.002","86.148","0.002","1186.79","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 F3 O2 -","- C13 H11 F3 O2 -","- C52 H44 F12 O8 -","4","2","","Kohn, Benjamin L.; Rovis, Tomislav","Cobaltate anion couples terminal dienes with trifluoroacetic anhydride: a direct fluoroacylation of 1,3-dienes","Chemical Science","2014","5","7","2889","","10.1039/c4sc00743c","","","0.71073","MoKα","","0.0794","0.0417","","","0.0829","0.0951","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516266","13.6767","0.0004","15.7946","0.0004","16.3191","0.0004","102.448","0.002","93.042","0.002","96.154","0.002","3411.96","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H59 B F15 O7 Si U -","- C76 H59 B F15 O7 Si U -","- C152 H118 B2 F30 O14 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.033","0.0266","","","0.0619","0.0647","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516267","12.8552","0.0003","15.7463","0.0003","16.5535","0.0003","100.009","0.001","103.592","0.001","90.593","0.001","3202.79","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 B F15 O7 Si U -","- C68 H52 B F15 O7 Si U -","- C136 H104 B2 F30 O14 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0339","0.0281","","","0.0741","0.0783","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516268","12.0721","0.0006","12.2867","0.0007","17.884","0.0011","89.672","0.004","80.12","0.004","78.024","0.004","2555.2","0.3","151","2","151","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H37 B F15 O6 Si U -","- C54 H37 B F15 O6 Si U -","- C108 H74 B2 F30 O12 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0482","0.0388","","","0.0984","0.1047","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516269","15.1204","0.0004","16.1764","0.0005","16.4479","0.0005","112.966","0.002","96.391","0.002","115.286","0.002","3157","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C73 H48 B F15 O7 U -","- C73 H48 B F15 O7 U -","- C146 H96 B2 F30 O14 U2 -","2","2","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0736","0.0468","","","0.095","0.1062","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516270","11.6002","0.0006","15.3265","0.0008","22.3436","0.0012","92.48","0.003","95.186","0.002","109.408","0.002","3720","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","compound 1Dy","","- C86 H82 Dy N19 O2 -","- C86 H82 Dy N19 O2 -","- C172 H164 Dy2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0358","0.0286","","","0.0644","0.0675","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516271","11.5308","0.0009","15.2909","0.0012","22.27","0.0018","92.524","0.004","95.122","0.004","109.342","0.004","3678.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","compound 1Er","","- C86 H82 Er N19 O2 -","- C86 H82 Er N19 O2 -","- C172 H164 Er2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0442","0.035","","","0.0788","0.0844","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516272","11.5698","0.0008","15.3429","0.0012","22.3337","0.0017","92.514","0.004","95.132","0.004","109.356","0.004","3714.1","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","compound 1Ho","","- C86 H82 Ho N19 O2 -","- C86 H82 Ho N19 O2 -","- C172 H164 Ho2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0341","0.0266","","","0.0565","0.0588","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516273","16.1537","0.0003","19.955","0.0004","22.8279","0.0005","90","","90","","90","","7358.5","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C76 H118 B2 K2 O8 -","- C76 H118 B2 K2 O8 -","- C304 H472 B8 K8 O32 -","4","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0805","0.0701","","","0.2082","0.2222","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516274","10.3128","0.0002","14.6667","0.0002","19.3119","0.0004","90","","102.005","0.001","90","","2857.13","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 B2 K2 O4 -","- C60 H86 B2 K2 O4 -","- C120 H172 B4 K4 O8 -","2","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","0.71073","MoKα","","0.0791","0.0682","","","0.1642","0.1742","","","","","","1.022","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1516275","11.337","0.0007","11.9746","0.0007","13.9071","0.0006","83.312","0.003","85.92","0.003","88.345","0.002","1869.97","0.18","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 B2 -","- C44 H56 B2 -","- C88 H112 B4 -","2","1","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","0.71073","MoKα","","0.2218","0.1478","","","0.2176","0.2406","","","","","","1.495","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516276","11.5296","0.0009","13.4868","0.0018","14.6512","0.0011","112.337","0.006","111.343","0.004","95.399","0.006","1890","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 B2 Cl4 Co -","- C66 H88 B2 Cl4 Co -","- C66 H88 B2 Cl4 Co -","1","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0665","0.0586","","","0.1638","0.1699","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516277","16.5044","0.0002","23.0305","0.0002","28.6494","0.0003","90","","104.041","0.001","90","","10564.4","0.2","123","0.1","123","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H134 Cl4 Fe2 O4 P4 -","- C116 H134 Cl4 Fe2 O4 P4 -","- C464 H536 Cl16 Fe8 O16 P16 -","4","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.04","0.0382","","","0.109","0.1106","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516278","16.0862","0.0004","23.1908","0.0005","29.2063","0.0006","90","","103.712","0.002","90","","10584.9","0.4","123","0.1","123","0.1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H134 As4 Cl4 Fe2 O4 -","- C116 H134 As4 Cl4 Fe2 O4 -","- C464 H536 As16 Cl16 Fe8 O16 -","4","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.0851","0.0627","","","0.163","0.1837","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516279","18.6002","0.0004","19.1311","0.0002","30.2819","0.0005","89.89","0.001","88.546","0.002","84.899","0.001","10729.4","0.3","123","0.2","123","0.2","","","","","","","see text","8","P -1","-P 1","2","","","","- C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 -","- C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 -","- C464 H534 Cl8 Fe8 N2 O16 P16 S12 -","4","2","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.082","0.0643","","","0.1845","0.1949","","","","","","0.969","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516280","13.6386","0.0005","16.2697","0.0005","23.7755","0.0009","77.294","0.003","86.087","0.003","85.081","0.003","5120.9","0.3","123","0.1","123","0.1","","","","","","","see text","6","P -1","-P 1","2","","","","- C114 H130 Fe2 O4 P4 Se3 -","- C114 H130 Fe2 O4 P4 Se3 -","- C228 H260 Fe4 O8 P8 Se6 -","2","1","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.1485","0.0701","","","0.1808","0.2062","","","","","","0.887","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516281","12.6885","0.0003","13.6189","0.0003","15.8914","0.0003","103.957","0.002","103.841","0.002","103.076","0.002","2467.36","0.11","123","0.2","123","0.2","","","","","","","see text","5","P -1","-P 1","2","","","","- C114 H130 Fe2 O3 S2 -","- C114 H130 Fe2 O3 S2 -","- C114 H130 Fe2 O3 S2 -","1","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.0715","0.0565","","","0.1656","0.1749","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516327","16.1665","0.0011","10.3002","0.0007","27.3994","0.0019","90","","102.802","0.007","90","","4449.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H76 P2 Pd Si -","- C47 H76 P2 Pd Si -","- C188 H304 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.1038","0.0628","","","0.1269","0.1453","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516328","14.8954","0.0003","18.9114","0.0003","16.6032","0.0012","90","","106.453","0.007","90","","4485.5","0.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H76 P2 Pd Si -","- C47 H76 P2 Pd Si -","- C188 H304 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","1.54178","CuKa","","0.0418","0.0398","","","0.1061","0.1077","","","","","","1.03","","","","has coordinates,has disorder","214153","2020-10-21","18:00:00",""
"1516329","12.6994","0.0016","25.26","0.003","13.3608","0.0017","90","","105.432","0.007","90","","4131.4","0.9","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 O2 P2 Pd Si -","- C43 H64 O2 P2 Pd Si -","- C172 H256 O8 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.076","0.0597","","","0.1117","0.1191","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516330","9.374","0.004","17.3855","0.0007","23.3068","0.001","90","","101.572","0.013","90","","3721.1","1.6","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 P2 Pd Si -","- C39 H60 P2 Pd Si -","- C156 H240 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.0801","0.0629","","","0.1043","0.1101","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516331","10.632","0.003","23.5987","0.0007","19.2983","0.0014","90","","105.726","0.011","90","","4660.7","1.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H71 Al O2 P2 Pd Si -","- C44 H71 Al O2 P2 Pd Si -","- C176 H284 Al4 O8 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.1105","0.0902","","","0.2489","0.2734","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516332","23.517","0.018","21.766","0.018","14.71","0.01","90","","90","","90","","7530","10","223","","223","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H55 F3 O3 P2 Pd S Si -","- C38 H55 F3 O3 P2 Pd S Si -","- C304 H440 F24 O24 P16 Pd8 S8 Si8 -","8","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.097","0.0634","","","0.1291","0.1433","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516333","12.9946","0.0004","14.2318","0.0004","20.8681","0.0015","90","","100.188","0.007","90","","3798.4","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 P2 Pd Si -","- C38.726 H59.315 Cl0.137 P2 Pd Si -","- C154.904 H237.26 Cl0.548 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.05","0.0396","","","0.0793","0.0827","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516463","10.7122","0.0005","16.4862","0.0009","19.402","0.001","101.781","0.003","102.522","0.003","97.189","0.004","3222.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H116 N12 O15 S20 Zn3 -","- C132 H94 N12 O14 S20 Zn3 -","- C132 H94 N12 O14 S20 Zn3 -","1","0.5","","Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi","Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins","Chemical Science","2014","5","10","3888","","10.1039/C4SC00803K","","","0.71073","MoKα","","0.1322","0.0666","","","0.1555","0.1738","","","","","","1.132","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516468","11.7592","0.0008","12.747","0.0009","13.3933","0.0009","98.948","0.004","100.21","0.004","97.418","0.003","1926.2","0.2","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 K N4 O11.5 -","- C36 H35 K N4 O11.5 -","- C72 H70 K2 N8 O23 -","2","1","","Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard","Blue transition metal complexes of a natural bilin-type chlorophyll catabolite","Chemical Science","2014","5","9","3388","","10.1039/C4SC00348A","","","0.71073","MoKα","","0.1111","0.0769","","","0.1824","0.1968","","","","","","1.109","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516469","9.374","0.0003","14.5468","0.0004","19.7294","0.0005","90","","90","","90","","2690.33","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TA523c","","","- C22 H34 N4 O4 Pd S -","- C22 H34 N4 O4 Pd S -","- C88 H136 N16 O16 Pd4 S4 -","4","1","","Poveda, Ana; Alonso, Inés; Fernández-Ibáñez, M. Ángeles","Experimental and computational studies on the mechanism of the Pd-catalyzed C(sp3)‒H γ-arylation of amino acid derivatives assisted by the 2-pyridylsulfonyl group","Chemical Science","2014","5","10","3873","","10.1039/C4SC00848K","","","0.71073","","","0.0201","0.018","","","0.0462","0.048","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516502","11.7724","0.0002","13.4968","0.0003","12.2285","0.0003","90","","110.968","0.002","90","","1814.32","0.07","133","2","133","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C50 H70 Cl8 N10 O12 Ru4 S12 -","4","2","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0238","0.0235","","","0.0634","0.0637","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516503","16.4668","0.0003","19.6645","0.0003","12.6551","0.0003","90","","106.281","0.002","90","","3933.53","0.14","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N2 O7 Ru S3 -","- C13 H18 Cl2 N2 O7 Ru S3 -","- C104 H144 Cl16 N16 O56 Ru8 S24 -","8","2","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","0.71073","MoKα","","0.0362","0.0272","","","0.0567","0.0613","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516504","14.059","0.0002","14.2401","0.0002","15.4559","0.0002","90","","91.983","0.001","90","","3092.44","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F12 N6 O3 P2 Ru -","- C27 H22 F12 N6 O3 P2 Ru -","- C108 H88 F48 N24 O12 P8 Ru4 -","4","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0402","0.0382","","","0.0937","0.0949","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516505","13.5677","0.0007","14.3521","0.0008","15.4809","0.0007","90","","95.869","0.005","90","","2998.7","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl2 F6 N6 O2 P Ru -","- C27 H22 Cl2 F6 N6 O2 P Ru -","- C108 H88 Cl8 F24 N24 O8 P4 Ru4 -","4","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","0.71073","MoKα","","0.0643","0.0471","","","0.1198","0.1357","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516506","14.1173","0.0002","15.5837","0.0002","28.1669","0.0005","90","","90","","90","","6196.71","0.16","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C224 H192 Cl16 F48 N48 O24 P8 Ru8 -","8","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0555","0.0482","","","0.1333","0.1407","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516507","7.4597","0.0011","7.4597","0.0011","14.293","0.004","90","","90","","120","","688.8","0.2","300","","300","","","","","","","","","6","P 63/m","-P 6c","176","lanthanum(III) hexacyanidocobaltate(III) pentahydrate","lanthanum(III) hexacyanidocobaltate(III) pentahydrate","","- C6 H10 Co La N6 O5 -","- C6 H10.0002 Co La N6 O5 -","- C12 H20.0004 Co2 La2 N12 O10 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.85","","","0.1199","0.118","","0.0935","0.0931","0.0927","","","","","","0.9954","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516508","7.3829","0.0008","7.3829","0.0008","13.871","0.002","90","","90","","120","","654.78","0.14","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","potassium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","potassium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","","- C6 H8 Fe K La N6 O4 -","- C6 H6 Fe K La N6 O4 -","- C12 H12 Fe2 K2 La2 N12 O8 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0156","0.0145","","","0.0621","0.0659","","","","","","0.615","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516509","7.1852","0.001","7.1852","0.001","12.238","0.004","90","","90","","120","","547.2","0.2","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","potassium lanthanum(III) hexacyanidoferrate(II)","potassium lanthanum(III) hexacyanidoferrate(II)","","- C6 Fe K La N6 -","- C6 Fe K La N6 -","- C12 Fe2 K2 La2 N12 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.1053","0.1006","","","0.2426","0.2446","","","","","","1.434","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516510","7.431","0.007","12.815","0.011","14.298","0.013","90","","90","","90","","1362","2","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","","- C6 H9 Co N6 O4.5 Pr -","- C6 Co N6 O4.5 Pr -","- C24 Co4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0787","0.0733","","","0.1836","0.1885","","","","","","1.123","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516511","7.523","0.008","13.117","0.014","14.476","0.015","90","","90","","90","","1428","3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","","- C6 H9 Fe N6 O4.5 Pr -","- C6 Fe N6 O4.5 Pr -","- C24 Fe4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0812","0.0733","","","0.1803","0.1869","","","","","","1.096","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516512","7.375","0.004","12.742","0.006","13.653","0.007","90","","90","","90","","1283","1.1","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","samarium(III) hexacyanidocobaltate(III) tetrahydrate","samarium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co N6 O4 Sm -","- C6 Co N6 O4 Sm -","- C24 Co4 N24 O16 Sm4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.035","0.0348","","","0.0858","0.0859","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516513","7.3394","0.0012","12.75","0.002","13.617","0.002","90","","90","","90","","1274.2","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","europium(III) hexacyanidocobaltate(III) tetrahydrate","europium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co Eu N6 O4 -","- C6 Co Eu N6 O4 -","- C24 Co4 Eu4 N24 O16 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.037","0.0368","","","0.1009","0.101","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516514","7.242","0.003","12.578","0.005","13.361","0.005","90","","90","","90","","1217.1","0.8","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Lu N6 Na O3 -","- C6 Fe Lu N6 Na O3 -","- C24 Fe4 Lu4 N24 Na4 O12 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0549","0.0542","","","0.1306","0.1317","","","","","","1.31","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516515","7.2338","0.0005","7.2338","0.0005","14.2923","0.0009","90","","90","","120","","647.69","0.08","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","","- C6 H8 Fe La Li N6 O4 -","- C6 Fe La Li N6 O4 -","- C12 Fe2 La2 Li2 N12 O8 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0465","0.0461","","","0.1414","0.1417","","","","","","1.281","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516516","7.2309","0.0007","12.5358","0.0012","13.2519","0.0013","90","","90","","90","","1201.2","0.2","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Li Lu N6 O3 -","- C6 Fe Li Lu N6 O2.58 -","- C24 Fe4 Li4 Lu4 N24 O10.32 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0538","0.0529","","","0.1421","0.1427","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516530","10.795","0.005","12.323","0.005","13.68","0.005","79.363","0.005","87.377","0.005","88.428","0.005","1786.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 2a","","","- C39 H55 F N3 Nb -","- C39 H55 F N3 Nb -","- C78 H110 F2 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71069","MoKα","","0.024","0.0224","","","0.0576","0.0587","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516531","10.8194","0.001","12.3148","0.0012","13.7249","0.0013","79.695","0.006","87.396","0.006","88.376","0.006","1797","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 2c","","","- C39 H53 F2 N3 Nb -","- C39 H53 F2 N3 Nb -","- C78 H106 F4 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0677","0.0445","","","0.0746","0.0829","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516532","10.9151","0.0004","12.301","0.0004","13.7072","0.0005","79.714","0.002","87.243","0.002","88.804","0.002","1808.6","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 2d","","","- C39 H54 F2 N3 Nb -","- C39 H54 F2 N3 Nb -","- C78 H108 F4 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0371","0.0302","","","0.0672","0.0702","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516533","12.7898","0.0005","11.5223","0.0004","24.9612","0.0009","90","","91.217","0.001","90","","3677.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex h","","","- C39 H52 F4 N3 Nb -","- C39 H52 F4 N3 Nb -","- C156 H208 F16 N12 Nb4 -","4","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0522","0.0368","","","0.0862","0.0929","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516534","11.473","0.0004","12.9171","0.0004","14.4931","0.0004","113.07","0.008","100.094","0.007","90.982","0.006","1936.74","0.17","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 Fe2 N6 O18 -","- C30 H40 Cl2 Fe2 N6 O18 -","- C60 H80 Cl4 Fe4 N12 O36 -","2","1","","Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari","Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand","Chemical Science","2014","5","6","2282","","10.1039/c3sc51541a","","","0.71075","MoKα","","","0.0281","","","","0.0757","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516535","11.5827","0.0003","13.4954","0.0003","14.5372","0.0003","114.729","0.008","99.954","0.007","90.485","0.006","2024.6","0.17","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H38 F6 Fe2 N6 O15 S2 -","- C32 H38 F6 Fe2 N6 O15 S2 -","- C64 H76 F12 Fe4 N12 O30 S4 -","2","1","","Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari","Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand","Chemical Science","2014","5","6","2282","","10.1039/c3sc51541a","","","0.71075","MoKα","","","0.0257","","","","0.0814","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516536","20.78","0.002","34.908","0.004","14.4254","0.0015","90","","90","","90","","10464","1.9","100","2","100","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","avm02","","","- C236 H212 N20 O66 S4 Zn16 -","- C236 H172 N20 O66 S4 Zn16 -","- C236 H172 N20 O66 S4 Zn16 -","1","0.125","","Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L.","Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF","Chemical Science","2014","5","6","2297","","10.1039/c4sc00462k","","","0.7749","synchrotron","","0.1359","0.0991","","","0.3217","0.3569","","","","","","1.39","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516537","11.9954","0.0001","11.9954","0.0001","13.9537","0.0003","90","","90","","90","","2007.79","0.05","123","1","123","1","","","","","","","see text","4","I -4","I -4","82","","","","- C40 H60 Cr4 P4 -","- C40 H60 Cr4 P4 -","- C80 H120 Cr8 P8 -","2","0.25","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0363","0.0356","","","0.0922","0.0929","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516538","15.3898","0.0003","18.4053","0.0003","21.8004","0.0004","90","","90","","90","","6175.05","0.19","123","1","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C30 H45 As2 Cr3 -","- C30 H45 As2 Cr3 -","- C240 H360 As16 Cr24 -","8","1","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0284","0.028","","","0.0754","0.0757","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516539","14.595","0.005","9.371","0.003","15.859","0.004","90","","114.51","0.016","90","","1973.6","1.1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N3 O6 P Ru -","- C18 H24 N3 O6 P Ru -","- C72 H96 N12 O24 P4 Ru4 -","4","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","0.71073","MoKα","","0.0868","0.0715","","","0.1986","0.2253","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516540","11.58624","0.00012","15.39855","0.00014","13.23391","0.00014","90","","98.3744","0.001","90","","2335.9","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N4 O5 P Ru -","- C21 H31 N4 O5 P Ru -","- C84 H124 N16 O20 P4 Ru4 -","4","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","1.54178","CuKα","","0.0261","0.0254","","","0.069","0.0695","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516541","9.8881","0.0008","12.5811","0.0009","12.6829","0.001","72.028","0.007","67.58","0.007","67.069","0.007","1319.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 N8 O14 P2 Ru2 -","- C50 H68 N8 O14 P2 Ru2 -","- C50 H68 N8 O14 P2 Ru2 -","1","0.5","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","0.71073","MoKα","","0.0639","0.0491","","","0.1154","0.1246","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516542","13.7555","0.0004","14.6826","0.0005","16.8467","0.0004","70.736","0.003","76.491","0.002","64.286","0.003","2877.47","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N8 O11 P2 Ru2 -","- C50 H62 N8 O11 P2 Ru2 -","- C100 H124 N16 O22 P4 Ru4 -","2","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","1.54178","CuKα","","0.0344","0.0323","","","0.0821","0.083","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516543","14.111","0.003","17.412","0.003","15.429","0.003","90","","90.833","0.004","90","","3790.5","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl Ir N2 -","- C19 H28 Cl Ir N2 -","- C152 H224 Cl8 Ir8 N16 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0785","0.0468","","","0.0682","0.0758","","","","","","0.848","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516544","7.6461","0.0017","8.621","0.002","27.688","0.006","90","","92.184","0.004","90","","1823.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl Ir N S -","- C18 H25 Cl Ir N S -","- C72 H100 Cl4 Ir4 N4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0406","0.0318","","","0.0571","0.0598","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516545","10.73","0.002","14.462","0.003","16.791","0.004","90","","104.557","0.003","90","","2521.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl3 Ir N S -","- C24 H29 Cl3 Ir N S -","- C96 H116 Cl12 Ir4 N4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0456","0.0397","","","0.0971","0.0995","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516546","12.207","0.005","25.172","0.011","13.887","0.006","90","","108.18","0.008","90","","4054","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl Ir N -","- C22 H29 Cl Ir N -","- C176 H232 Cl8 Ir8 N8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0587","0.0389","","","0.0638","0.0679","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516547","8.1332","0.0016","27.444","0.005","17.333","0.003","90","","95.18","0.004","90","","3853.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl Ir N -","- C20 H27 Cl Ir N -","- C160 H216 Cl8 Ir8 N8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0569","0.0403","","","0.0698","0.0739","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516548","7.5951","0.0016","8.5873","0.0019","28.051","0.006","90","","92.441","0.004","90","","1827.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl N Rh S -","- C18 H25 Cl N Rh S -","- C72 H100 Cl4 N4 Rh4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0712","0.0464","","","0.0736","0.08","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516549","10.631","0.003","14.413","0.004","16.681","0.004","90","","104.834","0.005","90","","2470.8","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl3 N Rh S -","- C24 H29 Cl3 N Rh S -","- C96 H116 Cl12 N4 Rh4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0928","0.0517","","","0.079","0.0878","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516550","12.211","0.003","25.326","0.005","13.879","0.003","90","","108.751","0.004","90","","4064.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl N Rh -","- C22 H29 Cl N Rh -","- C176 H232 Cl8 N8 Rh8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0579","0.0402","","","0.0736","0.0783","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516551","11.904","0.007","12.224","0.007","13.994","0.008","107.153","0.001","110.035","0.001","103.564","0.001","1695.5","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H40 B2 F8 Fe N6 O5 -","- C31 H32 B2 F8 Fe N6 O3 -","- C62 H64 B4 F16 Fe2 N12 O6 -","2","1","","Jeon, Ie-Rang; Park, Jesse G.; Haney, Chad R.; Harris, T. David","Spin crossover iron(ii) complexes as PARACEST MRI thermometers","Chemical Science","2014","5","6","2461","","10.1039/c4sc00396a","","","0.71073","MoKα","","0.0541","0.0444","","","0.1101","0.1148","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516552","13.2199","0.0001","34.9437","0.0002","18.4595","0.0001","90","","105.914","0.0002","90","","8200.57","0.09","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Ir(PCy3)2(H)2(AB)][BArCl4]","","- C69.8 H92.54 B2 Cl8 F3.27 Ir N P2 -","- C69.804 H92.536 B2 Cl8 F3.268 Ir N P2 -","- C279.216 H370.144 B8 Cl32 F13.072 Ir4 N4 P8 -","4","1","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0613","0.0553","","0.1389","0.1376","0.1389","","","","","","1.0845","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516553","16.435","0.003","17.3","0.004","20.951","0.004","90","","90","","90","","5957","2","150","2","150","2","","","","","","","","6","P 21 2 21","P 2ac 2ac","18","","","","- C112.5 H163 B2 F25 Ir2 P4 -","- C110 H157 B2 F25 Ir2 P4 -","- C220 H314 B4 F50 Ir4 P8 -","2","0.5","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0451","0.034","","","0.0863","0.0927","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516554","12.7377","0.0001","12.8491","0.0001","25.1406","0.0002","99.5231","0.0004","98.255","0.0003","95.4001","0.0003","3986.57","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","[IrH2PCy3-trimer][BArCl]","","- C70 H118 B4 Cl8 Ir N3 P2 -","- C70 H118 B4 Cl8 Ir N3 P2 -","- C140 H236 B8 Cl16 Ir2 N6 P4 -","2","1","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0438","0.0353","","0.0795","0.0763","0.0795","","","","","","1.0098","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516555","16.5774","0.0007","16.5774","0.0007","10.5446","0.0005","90","","90","","120","","2509.54","0.19","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H23 B Mn O3 P -","- C15 H23 B Mn O3 P -","- C90 H138 B6 Mn6 O18 P6 -","6","0.5","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0491","0.0424","","","0.1013","0.105","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516556","24.302","0.002","7.8695","0.0007","21.291","0.002","90","","115.979","0.007","90","","3660.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B Mn N2 O2 -","- C18 H24 B Mn N2 O2 -","- C144 H192 B8 Mn8 N16 O16 -","8","2","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0619","0.047","","","0.1011","0.1056","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516557","21.1662","0.0011","7.9276","0.0011","21.8218","0.0004","90","","90","","90","","3661.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H24 B Mn N2 O2 -","- C18.002 H24.0045 B1.0005 Mn N2 O2 -","- C144.016 H192.036 B8.004 Mn8 N16 O16 -","8","2","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0459","0.0413","","","0.1033","0.1056","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516558","24.5671","0.0014","8.1978","0.0005","18.4064","0.001","90","","111.169","0.002","90","","3456.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 B Mn N O2 -","- C18 H23 B Mn N O2 -","- C144 H184 B8 Mn8 N8 O16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0316","0.0282","","","0.0756","0.0776","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516559","14.4606","0.0011","12.5027","0.0009","18.2085","0.0013","90","","93.815","0.003","90","","3284.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B Mn N2 O2 -","- C16 H22 B Mn N2 O2 -","- C128 H176 B8 Mn8 N16 O16 -","8","2","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0955","0.0745","","","0.1758","0.1857","","","","","","1.206","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516560","15.2676","0.0007","8.5852","0.0004","15.8554","0.0007","90","","113.848","0.001","90","","1900.81","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 B4 Mn4 N8 O8 -","- C76 H100 B4 Mn4 N8 O8 -","- C76 H100 B4 Mn4 N8 O8 -","1","0.25","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0302","0.0279","","","0.07","0.0718","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516561","13.024","0.008","9.225","0.004","19.975","0.009","90","","90","","90","","2400","2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H32 B Mn N2 O3 -","- C26 H32 B Mn N2 O3 -","- C104 H128 B4 Mn4 N8 O12 -","4","0.5","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0507","0.0444","","","0.1116","0.1156","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516562","14.3661","0.0007","12.0848","0.0006","18.962","0.0009","90","","90","","90","","3292","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H29 B N2 -","- C15 H29 B N2 -","- C120 H232 B8 N16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0694","0.0559","","","0.144","0.1541","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516565","13.3371","0.0004","19.9237","0.0006","34.7236","0.001","90","","90","","90","","9226.9","0.5","100","2","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 N O4 P -","- C52 H70 N O4 P -","- C416 H560 N8 O32 P8 -","8","2","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0357","0.0349","","","0.0937","0.0948","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516566","12.2225","0.0002","20.8872","0.0003","21.6966","0.0003","90","","90","","90","","5539.01","0.14","100","2","100.08","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C60 H69 B Cl2 F4 N O4 P Pd -","- C60 H69 B Cl2 F4 N O4 P Pd -","- C240 H276 B4 Cl8 F16 N4 O16 P4 Pd4 -","4","1","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0253","0.0234","","","0.052","0.0526","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516567","16.2647","0.0005","14.5206","0.0005","9.6475","0.0003","90","","90","","90","","2278.48","0.13","270","","270","","","","","","","","","5","P b a n","-P 2ab 2b","50","NO2-DMOF","","","- C22 H18 N4 O12 Zn2 -","- C22 H16 N4 O12 Zn2 -","- C44 H32 N8 O24 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0704","0.0627","","","0.2025","0.2116","","","","","","1.16","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516568","15.25553","0.00012","15.25553","0.00012","19.3129","0.0002","90","","90","","90","","4494.71","0.07","250","","250","","","","","","","","","5","I 4/m c m","-I 4 2c","140","NO2-DMOF_dmso","","","- C22 H18 N4 O12 Zn2 -","- C22 H16 N4 O12 Zn2 -","- C88 H64 N16 O48 Zn8 -","4","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0615","0.0606","","","0.1995","0.2012","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516569","10.94325","0.00007","10.94325","0.00007","9.67577","0.0001","90","","90","","90","","1158.72","0.016","250","","250","","","","","","","","","5","P 4/m m m","-P 4 2","123","NO2-DMOF_mesitylen","","","- C22 H18 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","1","0.0625","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.047","0.047","","","0.1619","0.1619","","","","","","1.312","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516570","10.90313","0.00018","10.90313","0.00018","9.649","0.0003","90","","90","","90","","1147.06","0.04","290","","290","","","","","","","","","5","P 4/m m m","-P 4 2","123","NO2-DMOF_toluene","","","- C22 H18 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","1","0.0625","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0548","0.0544","","","0.1607","0.1615","","","","","","1.153","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516571","15.0609","0.0008","15.0609","0.0008","19.2433","0.0013","90","","90","","90","","4365","0.4","270","0.14","270","0.14","","","","","","","","5","I 4/m c m","-I 4 2c","140","DMOF","","","- C34 H48 N6 O12 Zn2 -","- C34 H44 N6 O12 Zn2 -","- C136 H176 N24 O48 Zn8 -","4","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","0.7107","MoKα","","0.0844","0.0568","","","0.1558","0.1811","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516572","15.4195","0.0004","15.4195","0.0004","9.6416","0.0004","90","","90","","90","","2292.4","0.13","290","1","290","1","","","","","","","","5","P 4/m b m","-P 4 2ab","127","ndc-DMOF","","","- C30 H24 N2 O8 Zn2 -","- C30 H24 N2 O8 Zn2 -","- C60 H48 N4 O16 Zn4 -","2","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","0.7107","MoKα","","0.0622","0.0407","","","0.1598","0.1704","","","","","","1.232","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516573","16.3684","0.0004","14.4237","0.0003","9.6406","0.0002","90","","90","","90","","2276.08","0.09","270","2","270.15","","","","","","","","","6","P b a n","-P 2ab 2b","50","Br-DMOF","","","- C22 H18 Br2 N2 O8 Zn2 -","- C22 H18 Br2 N2 O8 Zn2 -","- C44 H36 Br4 N4 O16 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0594","0.0554","","","0.1571","0.1612","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516588","10.4251","0.0006","20.765","0.0012","44.289","0.003","90","","90","","90","","9587.6","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H73 N Si Th -","- C47 H73 N Si Th -","- C376 H584 N8 Si8 Th8 -","8","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0457","0.0324","","","0.0636","0.0664","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516589","16.578","0.003","16.572","0.003","17.515","0.003","90","","97.936","0.003","90","","4765.8","1.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H75 N Si Th -","- C53 H75 N Si Th -","- C212 H300 N4 Si4 Th4 -","4","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0912","0.051","","","0.1213","0.1463","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516590","10.436","0.002","15.509","0.003","20.314","0.004","92.787","0.003","92.25","0.003","109.072","0.003","3098.4","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H87 N3 Th -","- C54 H87 N3 Th -","- C108 H174 N6 Th2 -","2","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0851","0.0776","","","0.2236","0.2304","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516597","10.8564","0.0004","14.3921","0.0004","18.5751","0.0006","77.707","0.003","84.454","0.003","69.815","0.003","2660.74","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Br N2 O3 S -","- C30 H25 Br N2 O3 S -","- C120 H100 Br4 N8 O12 S4 -","4","2","","Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu","Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines","Chemical Science","2014","5","10","4057","","10.1039/C4SC00983E","","","0.71073","MoKα","","0.0643","0.0468","","","0.1204","0.13","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516598","12.621","0.0006","9.6352","0.0007","21.5566","0.0018","90","","94.967","0.005","90","","2611.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Br N2 O3 S -","- C29 H27 Br N2 O3 S -","- C116 H108 Br4 N8 O12 S4 -","4","1","","Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu","Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines","Chemical Science","2014","5","10","4057","","10.1039/C4SC00983E","","","0.71073","MoKα","","0.1057","0.0623","","","0.1446","0.1724","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516599","8.9952","0.0011","12.0644","0.0013","23.969","0.003","80.621","0.003","83.006","0.004","66.929","0.003","2356.3","0.5","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H72 Cl2 In2 N4 Si8 -","- C24 H72 Cl2 In2 N4 Si8 -","- C48 H144 Cl4 In4 N8 Si16 -","2","1","","Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū","A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation","Chem. Sci.","2014","5","10","3958","","10.1039/C4SC01332H","","","0.71075","MoKα","","","0.0497","","","","0.1186","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516666","7.6549","0.0007","11.1028","0.0011","10.9893","0.0011","90","","90","","90","","933.99","0.16","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","3c","iodo(pentacarbonyl)rhenium(I)","","- C5 I O5 Re -","- C5 I O5 Re -","- C20 I4 O20 Re4 -","4","0.25","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0389","0.039","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516667","11.7723","0.0015","11.5071","0.0015","6.1089","0.0008","90","","90","","90","","827.54","0.19","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4b","bromo(pentacarbonyl)manganese(I)","","- C5 Br Mn O5 -","- C5 Br Mn O5 -","- C20 Br4 Mn4 O20 -","4","0.5","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0339","0.0278","","","0.0749","0.0776","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516668","12.6739","0.0006","11.2202","0.0006","19.9289","0.001","90","","104.719","0.001","90","","2741","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7","bis(1,10-phenanthroline)di(carbonyl)rhenium(I) perrhenate(VII) acetonitrile solvate 1/1","","- C28 H19 N5 O6 Re2 -","- C28 H19 N5 O6 Re2 -","- C112 H76 N20 O24 Re8 -","4","1","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0499","0.0323","","","0.0648","0.0707","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516669","8.3989","0.0009","12.4017","0.001","17.7936","0.0019","88.626","0.006","88.89","0.008","81.912","0.006","1834.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 S Si2 -","- C40 H50 S Si2 -","- C80 H100 S2 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0511","0.0395","","","0.0997","0.1071","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516670","7.4177","0.001","14.5332","0.0016","18.922","0.002","73.889","0.008","84.135","0.01","78.229","0.01","1916.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 S2 Si2 -","- C42 H50 S2 Si2 -","- C84 H100 S4 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0738","0.053","","","0.1247","0.1356","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516671","7.0866","0.0008","16.2124","0.0019","26.849","0.003","85.812","0.01","84.502","0.007","77.978","0.007","2998.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S Si2 -","- C34 H38 S Si2 -","- C136 H152 S4 Si8 -","4","2","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.1495","0.1233","","","0.2892","0.3028","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516672","7.5217","0.0004","14.0563","0.0008","20.336","0.0011","73.188","0.004","81.718","0.004","82.685","0.004","2028.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 S3 Si2 -","- C44 H50 S3 Si2 -","- C88 H100 S6 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0642","0.0493","","","0.1232","0.133","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516673","15.913","0.006","11.398","0.004","6.921","0.002","90","","90","","90","","1255.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H8 O2 S -","- C18 H8 O2 S -","- C72 H32 O8 S4 -","4","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","0.71073","MoKα","","0.096","0.0529","","","0.1001","0.1145","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516674","12.983","0.004","3.9148","0.0012","14.969","0.004","90","","111.93","0.02","90","","705.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 O2 S2 -","- C20 H8 O2 S2 -","- C40 H16 O4 S4 -","2","0.5","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.1084","0.0848","","","0.2128","0.2292","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516675","27.927","0.004","8.0895","0.0012","38.227","0.005","90","","98.822","0.002","90","","8534","2","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Fe N4 O3 S -","- C28 H33 Fe N4 O3 S -","- C336 H396 Fe12 N48 O36 S12 -","12","3","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.0854","0.0478","","","0.0996","0.1135","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516676","16.745","0.003","8.1442","0.0014","22.278","0.004","90","","93.72","0.002","90","","3031.8","0.9","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Fe N4 O2 S -","- C31 H39 Fe N4 O2 S -","- C124 H156 Fe4 N16 O8 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.057","0.0439","","","0.1268","0.1378","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516677","12.028","0.003","14.71","0.003","16.167","0.004","90","","104.944","0.003","90","","2763.7","1.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl Fe N4 O2 S -","- C27 H30 Cl Fe N4 O2 S -","- C108 H120 Cl4 Fe4 N16 O8 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.079","0.0419","","","0.0942","0.1109","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516678","15.596","0.003","7.9152","0.0017","23.348","0.005","90","","107.772","0.003","90","","2744.7","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Fe N5 O4 S -","- C27 H30 Fe N5 O4 S -","- C108 H120 Fe4 N20 O16 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.0664","0.0402","","","0.0893","0.1012","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516679","12.1808","0.0003","12.1808","0.0003","44.474","0.002","90","","90","","90","","6598.7","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C70 H98 Mg O13 Zn2 -","- C70 H98 Mg O13 Zn2 -","- C280 H392 Mg4 O52 Zn8 -","4","0.5","","Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva","Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates","Chemical Science","2014","5","9","3552","","10.1039/C4SC01263A","","","0.71073","MoKα","","0.097","0.0667","","","0.1729","0.1841","","","","","","0.962","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516680","16.1212","0.0008","9.5045","0.0006","24.1563","0.0014","90","","98.132","0.005","90","","3664.1","0.4","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl I Mg N2 O5 Zn -","- C34 H48 Cl I Mg N2 O5 Zn -","- C136 H192 Cl4 I4 Mg4 N8 O20 Zn4 -","4","1","","Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva","Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates","Chemical Science","2014","5","9","3552","","10.1039/C4SC01263A","","","0.71069","MoKα","","0.0838","0.0384","","","0.054","0.0589","","","","","","0.815","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516681","17.7109","0.0007","28.5979","0.0015","31.0744","0.0019","67.271","0.005","79.167","0.004","84.672","0.004","14254.5","1.4","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C91.81 H109.81 Cl6.44 Cu F N4 O10 -","- C91.8123 H109.812 Cl6.437 Cu F N4 O10 -","- C550.874 H658.874 Cl38.622 Cu6 F6 N24 O60 -","6","3","","Brugnara, Andrea; Topić, Filip; Rissanen, Kari; Lande, Aurélien de la; Colasson, Benoit; Reinaud, Olivia","Selective recognition of fluoride anion in water by a copper(ii) center embedded in a hydrophobic cavity","Chemical Science","2014","5","10","3897","","10.1039/C4SC01457J","","x-ray","1.54184","CuKα","","0.2215","0.1384","","","0.3579","0.4234","","","","","","1.272","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516716","9.059","0.004","15.197","0.006","23.751","0.01","73.595","0.008","88.406","0.014","81.684","0.012","3103","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Ir2 N8 O9 Y -","- C68 H44 Ir2 N8 O9 Y -","- C136 H88 Ir4 N16 O18 Y2 -","2","1","","Li, Lina; Zhang, Shuquan; Xu, Liangjin; Wang, Jinyun; Shi, Lin-Xi; Chen, Zhong-Ning; Hong, Maochun; Luo, Junhua","Effective visible-light driven CO2photoreduction via a promising bifunctional iridium coordination polymer","Chemical Science","2014","5","10","3808","","10.1039/C4SC00940A","","","0.71073","MoKα","","0.1059","0.0641","","","0.1239","0.1503","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516717","11.0962","0.0017","21.8","0.003","19.774","0.003","90","","105.379","0.003","90","","4612","1.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 O -","- C30 H22 N2 O -","- C240 H176 N16 O8 -","8","2","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1376","0.0721","","","0.1811","0.2139","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516718","12.859","0.005","15.737","0.006","25.688","0.01","90","","90","","90","","5198","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1182","0.0768","","","0.1763","0.2019","","","","","","1.101","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516719","19.548","0.009","18.292","0.008","21.819","0.01","90","","108.996","0.005","90","","7377","6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H20.6667 N2 O0.3333 -","- C29 H20 N2 O0.333333 -","- C348 H240 N24 O4 -","12","3","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.3205","0.1879","","","0.3855","0.4361","","","","","","1.625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516720","12.852","0.005","15.692","0.005","25.641","0.008","90","","90","","90","","5171","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1022","0.0763","","","0.1726","0.1886","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516768","8.0301","0.0005","16.9861","0.0011","17.595","0.0011","64.243","0.004","80.825","0.006","77.765","0.005","2106.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl F12 N5 S4 -","- C40 H32 Cl F12 N5 S4 -","- C80 H64 Cl2 F24 N10 S8 -","2","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","0.71075","MoKα","","0.1221","0.0683","","","0.1492","0.1769","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516769","11.0175","0.0006","12.8086","0.0007","12.9025","0.0007","91.871","0.002","113.774","0.002","96.73","0.002","1648.39","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 N2 O3 S -","- C34 H50 N2 O3 S -","- C68 H100 N4 O6 S2 -","2","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","0.71073","MoKα","","0.084","0.046","","","0.0965","0.1109","","","","","","1.015","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516770","8.0488","0.0001","11.6233","0.0001","19.2104","0.0001","90","","90.883","0.001","90","","1796.99","0.03","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O S3 -","- C18 H18 N2 O S3 -","- C72 H72 N8 O4 S12 -","4","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","1.5418","CuKα","","0.0315","0.0296","","","0.1166","0.1199","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516771","18.2073","0.0006","11.9379","0.0002","19.5492","0.0006","90","","115.355","0.004","90","","3839.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N2 O2 S4 -","- C36 H56 N2 O2 S4 -","- C144 H224 N8 O8 S16 -","4","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","1.54184","CuKα","","0.104","0.0742","","","0.2098","0.2305","","","","","","1.11","","","","has coordinates,has disorder","204128","2020-10-21","18:00:00",""
"1516783","9.6372","0.0002","13.2613","0.0002","20.4245","0.0004","79.8271","0.0015","76.8586","0.0016","86.464","0.0016","2501.34","0.08","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C61 H51 N7 O6 -","- C61 H51 N7 O6 -","- C122 H102 N14 O12 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.0602","0.0428","","","0.1114","0.1212","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516784","11.64397","0.00005","24.31232","0.00011","15.4118","0.00006","90","","104.526","0.0004","90","","4223.49","0.03","160","1","160","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 N5 O6 -","- C51 H45 N5 O6 -","- C204 H180 N20 O24 -","4","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.044","0.0424","","","0.1122","0.1134","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516785","30.3556","0.0006","5.611","0.0001","13.1495","0.0002","90","","92.9605","0.0012","90","","2236.7","0.07","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N3 O2 -","- C31 H19 N3 O2 -","- C124 H76 N12 O8 -","4","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.1069","0.0493","","","0.0975","0.1193","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516786","14.2809","0.0002","15.6419","0.0002","17.7181","0.0003","100.41","0.001","107.925","0.002","94.131","0.001","3669.16","0.11","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H61 F12 Fe N7 O6 P2 -","- C62 H38 F12 Fe N6 O4 P2 -","- C124 H76 F24 Fe2 N12 O8 P4 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0777","0.0635","","","0.1867","0.1956","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516787","14.138","0.005","14.332","0.005","19.077","0.005","91.222","0.005","108.825","0.005","93.257","0.005","3650","2","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H67 F12 N9 O6 P2 Ru -","- C64 H41 F12 N7 O4 P2 Ru -","- C128 H82 F24 N14 O8 P4 Ru2 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71069","MoKα","","0.1017","0.0789","","","0.2135","0.2286","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516788","14.38087","0.00019","14.4368","0.00017","19.8","0.0002","96.8363","0.0009","107.786","0.001","91.1601","0.001","3879.48","0.08","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H66 F12 N12 O5 P2 Zn -","- C66 H44 F12 N8 O4 P2 Zn -","- C132 H88 F24 N16 O8 P4 Zn2 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0558","0.0482","","","0.1406","0.1459","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516789","32.6617","0.0014","8.8705","0.0003","25.8704","0.0009","90","","93.738","0.004","90","","7479.4","0.5","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H37 N5 O4 -","- C47 H37 N5 O4 -","- C376 H296 N40 O32 -","8","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.1136","0.0751","","","0.1909","0.2239","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516790","17.3266","0.0002","21.9786","0.0003","23.2172","0.0002","99.59","0.001","108.832","0.001","107.228","0.001","7649.13","0.18","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C142 H107 Ag2 F36 Fe2 N33 O8 P6 -","- C116 H68 Ag2 F36 Fe2 N20 O8 P6 -","- C232 H136 Ag4 F72 Fe4 N40 O16 P12 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0904","0.0749","","","0.2149","0.2252","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516791","14.9414","0.0002","15.3956","0.0002","18.3235","0.0002","94.4451","0.0012","91.636","0.0011","113.008","0.0014","3860.05","0.09","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H50.5 Cu F18 Fe N15.5 O4 P3 -","- C62 H40 Cu F18 Fe N12 O4 P3 -","- C124 H80 Cu2 F36 Fe2 N24 O8 P6 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.082","0.0643","","","0.1931","0.2069","","","","","","1.084","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1516792","6.6274","0.0003","9.4654","0.0003","12.3549","0.0004","82.12","0.002","80.651","0.003","79.408","0.002","747.1","0.05","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 I2 N2 O8 -","- C34 H26 I2 N2 O8 -","- C34 H26 I2 N2 O8 -","1","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0226","0.0209","","","0.0547","0.0557","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516793","6.7598","0.0004","22.6656","0.0013","9.1153","0.0005","90","","101.623","0.002","90","","1367.96","0.14","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br2 N4 O8 -","- C28 H28 Br2 N4 O8 -","- C56 H56 Br4 N8 O16 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0227","0.0226","","","0.0576","0.0576","","","","","","1.081","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1516794","6.6819","0.0003","22.978","0.0011","8.8554","0.0004","90","","101.576","0.002","90","","1331.97","0.11","100","2","99.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N4 O8 -","- C28 H28 Cl2 N4 O8 -","- C56 H56 Cl4 N8 O16 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0329","0.0315","","","0.0827","0.0837","","","","","","1.053","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1516795","7.2221","0.0005","9.4868","0.0007","13.2822","0.0009","93.245","0.003","102.205","0.003","99.769","0.003","872.51","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 I2 N3 O6 -","- C15 H13 I2 N3 O6 -","- C30 H26 I4 N6 O12 -","2","1","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0436","0.0383","","","0.1057","0.1098","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516796","7.3668","0.0002","5.4181","0.0002","12.525","0.0004","90","","92.257","0.002","90","","499.54","0.03","100","2","99.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 Br2 N2 O4 -","- C10 H2 Br2 N2 O4 -","- C20 H4 Br4 N4 O8 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","0.71073","MoKα","","0.0241","0.0216","","","0.055","0.0568","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516797","7.1051","0.0012","5.4752","0.001","12.252","0.002","90","","90.693","0.015","90","","476.59","0.14","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 Cl2 N2 O4 -","- C10 H2 Cl2 N2 O4 -","- C20 H4 Cl4 N4 O8 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0365","0.0313","","","0.0813","0.0844","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516812","27.454","0.009","32.678","0.011","6.833","0.003","90","","90","","90","","6130","4","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C288 H256 N32 O48 -","16","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.053","","","","0.1415","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516813","6.2771","0.001","11.7706","0.0018","8.7028","0.0013","90","","97.826","0.005","90","","637.02","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.0482","","","","0.1307","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516814","28.94","0.009","5.9109","0.0015","9.179","0.003","90","","90","","90","","1570.2","0.8","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","0.71075","MoKα","","","0.0353","","","","0.0859","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516815","5.504","0.004","26.45","0.014","11.354","0.006","90","","94.55","0.016","90","","1647.7","1.7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.0949","","","","0.3124","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516829","10.4484","0.0002","12.9132","0.0002","14.4521","0.0003","105.509","0.002","110.788","0.002","101.371","0.002","1661.72","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl3 N O7 -","- C35 H38 Cl3 N O7 -","- C70 H76 Cl6 N2 O14 -","2","1","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","1.5418","CuKα","","0.0709","0.0699","","","0.2765","0.2795","","","","","","2.637","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516830","11.0298","0.0007","12.4731","0.001","15.6946","0.0012","87.5","0.004","72.011","0.004","67.114","0.004","1884.8","0.3","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H82 Ag2 F6 N2 O22 S2 -","- C72 H82 Ag2 F6 N2 O22 S2 -","- C72 H82 Ag2 F6 N2 O22 S2 -","1","0.5","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","0.71073","MoKα","","0.0661","0.042","","","0.0919","0.1109","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516831","17.892","0.005","14.886","0.005","15.952","0.005","90","","110.371","0.005","90","","3983","2","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 B2 Cl2 F8 Fe N6 -","- C44 H32 B2 Cl2 F8 Fe N6 -","- C176 H128 B8 Cl8 F32 Fe4 N24 -","4","1","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","0.71069","MoKα","","0.0569","0.0529","","","0.1298","0.132","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516885","10.84","0.002","14.869","0.003","19.149","0.004","90","","91.19","0.03","90","","3085.8","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","2","2","","- C29 H49 O Si2 U -","- C29 H49 O Si2 U -","- C116 H196 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0423","0.0284","","","0.0602","0.0648","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516886","11.789","0.002","18.961","0.004","14.176","0.003","90","","96.89","0.03","90","","3145.9","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","3","3","","- C30 H51 O Si2 U -","- C30 H51 O Si2 U -","- C120 H204 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0559","0.0363","","","0.0732","0.0796","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516887","12.092","0.002","19.621","0.004","13.755","0.003","90","","96.3","0.03","90","","3243.8","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","4","4","","- C31 H53 O Si2 U -","- C31 H53 O Si2 U -","- C124 H212 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0614","0.0391","","","0.0753","0.0823","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516888","22.913","0.005","13.686","0.003","38.185","0.008","90","","107.06","0.03","90","","11447","5","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","6","6","","- C48 H76.5 O Si4 U2 -","- C48.014 H76.542 O Si4 U2 -","- C384.112 H612.336 O8 Si32 U16 -","8","2","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0913","0.0508","","","0.1166","0.1285","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516889","10.48","0.002","21.616","0.004","23.669","0.005","90","","90","","90","","5361.9","1.8","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","7","7","","- C50 H78 O4 Si4 U2 -","- C50 H78 O4 Si4 U2 -","- C200 H312 O16 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.176","0.0787","","","0.1014","0.1221","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516890","21.741","0.004","23.447","0.005","10.829","0.002","90","","90","","90","","5520.2","1.9","173","2","173","2","","","","","","","synthesis as described","5","C m c a","-C 2ac 2","64","8","8","","- C54 H86 O4 Si4 U2 -","- C54 H86 O4 Si4 U2 -","- C216 H344 O16 Si16 U8 -","4","","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0672","0.0437","","","0.0835","0.0901","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1516891","12.917","0.003","13.555","0.003","16.582","0.003","90","","100.86","0.03","90","","2851.3","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","9","9","","- C27 H43 O2 Si2 U -","- C27 H43 O2 Si2 U -","- C108 H172 O8 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0743","0.0452","","","0.097","0.1103","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516892","23.33","0.005","21.46","0.004","10.71","0.002","90","","90","","90","","5362.1","1.8","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","11","11","","- C53 H86 O3 Si4 U2 -","- C53 H86 O3 Si4 U2 -","- C212 H344 O12 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0789","0.0524","","","0.1214","0.1336","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516893","43.8503","0.0011","10.3313","0.0002","24.2758","0.0006","90","","90","","90","","10997.7","0.4","173","2","173","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","12","12","","- C58 H86 O3 Si4 U2 -","- C53 H85.5 O3 Si4 U2 -","- C424 H684 O24 Si32 U16 -","8","2","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0626","0.0449","","","0.0736","0.0794","","","","","","1.025","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1516894","11.737","0.002","18.983","0.004","25.761","0.005","90","","95.43","0.03","90","","5713.9","1.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","13","","- C55 H90 O3 Si4 U2 -","- C55 H90 O3 Si4 U2 -","- C220 H360 O12 Si16 U8 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0659","0.0443","","","0.1035","0.1142","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516974","24.8949","0.0005","42.564","0.003","32.7857","0.0006","90","","90","","90","","34741","3","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","UMCM-12","","","- C98 H68 N2 O26 Zn8 -","- C98 H68 N2 O26 Zn8 -","- C392 H272 N8 O104 Zn32 -","4","0.5","","Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.","Coordination copolymerization of three carboxylate linkers into a pillared layer framework","Chemical Science","2014","5","10","3729","","10.1039/C3SC53549E","","","1.54178","CuKα","","0.0966","0.0651","","","0.1473","0.1525","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516975","17.1259","0.0004","32.5986","0.0008","25.1806","0.0018","90","","99.471","0.007","90","","13866.2","1.1","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UMCM-10","","","- C43 H30 N O13 Zn4 -","- C43 H30 N O13 Zn4 -","- C172 H120 N4 O52 Zn16 -","4","1","","Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.","Coordination copolymerization of three carboxylate linkers into a pillared layer framework","Chemical Science","2014","5","10","3729","","10.1039/C3SC53549E","","","1.54187","CuKα","","0.1594","0.1097","","","0.3315","0.3829","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516976","13.1254","0.0002","13.0009","0.0002","13.7872","0.0002","90","","109.269","0.002","90","","2220.88","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F3 N3 O6 Re S -","- C21 H13 F3 N3 O6 Re S -","- C84 H52 F12 N12 O24 Re4 S4 -","4","1","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0158","0.0144","","","0.0347","0.0352","","","","","","1.085","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516977","9.4683","0.0001","16.4296","0.0002","26.0868","0.0003","92.497","0.001","92.66","0.001","91.206","0.001","4048.77","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H33 Au F6 N3 O4 P2 Re -","- C41 H33 Au F6 N3 O4 P2 Re -","- C164 H132 Au4 F24 N12 O16 P8 Re4 -","4","2","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0358","0.0272","","","0.0606","0.0641","","","","","","1.037","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516978","8.9054","0.0004","9.077","0.0005","22.963","0.0008","84.156","0.004","88.572","0.003","88.527","0.004","1845.48","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H28 Au F3 N4 O6 P Re S -","- C38 H28 Au F3 N4 O6 P Re S -","- C76 H56 Au2 F6 N8 O12 P2 Re2 S2 -","2","1","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0995","0.0873","","","0.2213","0.228","","","","","","1.142","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516979","13.0494","0.0002","13.4519","0.0002","22.5256","0.0004","95.947","0.001","99.847","0.001","102.157","0.001","3768.28","0.11","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C37 H31 Au F3 N4 O6.5 P Re S -","- C37 H31 Au F3 N4 O6.5 P Re S -","- C148 H124 Au4 F12 N16 O26 P4 Re4 S4 -","4","2","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0261","0.024","","","0.0525","0.0533","","","","","","1.103","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516980","7.16538","0.00016","8.2062","0.00019","11.6136","0.0003","85.818","0.001","88.406","0.001","82.354","0.001","674.9","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","1","","Appel, Wilco P. J.; Nieuwenhuizen, Marko M. L.; Lutz, Martin; de Waal, Bas F. M.; Palmans, Anja R. A.; Meijer, E. W.","Supramolecular chemistry with ureido-benzoic acids","Chemical Science","2014","5","10","3735","","10.1039/C4SC00871E","","","0.71073","MoKα","","0.0485","0.0382","","","0.1005","0.107","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517024","12.292","0.003","9.621","0.0019","28.336","0.006","90","","92.9","0.03","90","","3346.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound4","","","- C37 H48 N Ni O P2 -","- C37 H48 N Ni O P2 -","- C148 H192 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.62998","synchrotron","","0.0637","0.0552","","","0.161","0.1672","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517025","10.6999","0.0005","9.4421","0.0004","11.2283","0.0005","90","","108.935","0.001","90","","1073","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cd N6 O9 -","- C4 H9 Cd N6 O9 -","- C16 H36 Cd4 N24 O36 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0217","0.0204","","","0.0735","0.076","","","","","","0.831","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517026","12.4045","0.0004","9.652","0.0003","27.5625","0.0009","90","","92.722","0.0018","90","","3296.29","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOMe","","","- C34 H49 N Ni O P2 -","- C34 H49 N Ni O P2 -","- C136 H196 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0674","0.0403","","","0.1042","0.1196","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517027","19.2355","0.0009","11.6533","0.0005","14.8149","0.0007","90","","110.899","0.002","90","","3102.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiMe","","","- C31 H51 N Ni O P2 -","- C31 H51 N Ni O P2 -","- C124 H204 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0441","0.0383","","","0.1003","0.1158","","","","","","1.18","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517028","10.5204","0.0008","11.0371","0.0008","12.559","0.001","79.346","0.004","84.731","0.004","71.343","0.004","1357","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(PNP)NiEt","","","- C28 H45 N Ni P2 -","- C28 H45 N Ni P2 -","- C56 H90 N2 Ni2 P4 -","2","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0688","0.0635","","","0.1866","0.1913","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517029","16.6022","0.0004","12.4707","0.0004","16.0966","0.0004","90","","113.6","0.002","90","","3053.92","0.15","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","(PNP)NiCOnPr","","","- C30 H47 N Ni O P2 -","- C30 H47 N Ni O P2 -","- C120 H188 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0934","0.0503","","","0.1116","0.1452","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517030","15.7352","0.0006","9.8832","0.0004","18.2622","0.0007","90","","94.249","0.002","90","","2832.22","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PNP)NinPr","","","- C29 H47 N Ni P2 -","- C29 H47 N Ni P2 -","- C116 H188 N4 Ni4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.073","0.0454","","","0.1179","0.1326","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517031","15.5099","0.0005","9.9868","0.0003","18.6693","0.0005","90","","95.552","0.001","90","","2878.2","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOiPr","","","- C30 H47 N Ni O P2 -","- C30 H47 N Ni O P2 -","- C120 H188 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0487","0.0371","","","0.0956","0.108","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517032","12.11","0.002","13.584","0.003","19.335","0.004","90","","106.49","0.03","90","","3049.8","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOtBu","","","- C31 H49 N Ni O P2 -","- C31 H49 N Ni O P2 -","- C124 H196 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.7","synchrotron","","0.0349","0.0321","","","0.093","0.0949","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517099","18.8584","0.0012","12.3701","0.0008","15.9959","0.0011","90","","104.724","0.004","90","","3609","0.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 S Si2 -","- C40 H50 S Si2 -","- C160 H200 S4 Si8 -","4","0.5","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.0685","0.0532","","","0.1386","0.1511","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517100","7.402","0.006","14.535","0.011","18.955","0.014","73.693","0.015","83.913","0.016","77.68","0.014","1910","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 S2 Si2 -","- C42 H50 S2 Si2 -","- C84 H100 S4 Si4 -","2","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","0.71073","MoKα","","0.1814","0.0719","","","0.1581","0.2103","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517101","7.0732","0.0012","7.9974","0.0014","12.843","0.002","83.771","0.013","88.008","0.013","79.973","0.014","711.1","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H30 S2 -","- C38 H30 S2 -","- C38 H30 S2 -","1","0.5","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1262","0.0811","","","0.2103","0.2501","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517102","24.056","0.001","16.0276","0.001","18.3518","0.0016","90","","122.105","0.004","90","","5993.7","0.7","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 S2 -","- C40 H34 S2 -","- C320 H272 S16 -","8","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1843","0.1245","","","0.3045","0.3754","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517103","7.51","0.0003","14.0747","0.0006","20.3192","0.0009","73.205","0.002","81.761","0.002","82.646","0.002","2026.41","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 S3 Si2 -","- C44 H50 S3 Si2 -","- C88 H100 S6 Si4 -","2","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1142","0.0974","","","0.2475","0.2663","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517166","7.9922","0.0006","7.9922","0.0006","23.1283","0.0017","90","","90","","90","","1477.33","0.19","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H16 Fe N4 O3 -","- C13 H16 Fe N4 O3 -","- C52 H64 Fe4 N16 O12 -","4","0.5","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0396","0.0287","","","0.0688","0.074","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517167","8.8462","0.0003","17.0403","0.0006","35.7439","0.0012","90","","90.227","0.001","90","","5388.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H36 B2 Fe N2 O3 Si4 -","- C15 H36 B2 Fe N2 O3 Si4 -","- C120 H288 B16 Fe8 N16 O24 Si32 -","8","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0521","0.038","","","0.0807","0.0852","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517168","9.0504","0.0017","10.731","0.002","11.634","0.004","90","","92.431","0.015","90","","1128.9","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 Cl3 Fe Ga O5 -","- C5 Cl3 Fe Ga O5 -","- C20 Cl12 Fe4 Ga4 O20 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0137","0.0131","","","0.0273","0.0275","","","","","","0.938","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517169","12.3102","0.0005","8.7578","0.0004","13.2384","0.0005","90","","90","","90","","1427.24","0.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C7 H9 Cl3 Fe Ga O4 P -","- C7 H9 Cl3 Fe Ga O4 P -","- C28 H36 Cl12 Fe4 Ga4 O16 P4 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0137","0.013","","","0.0305","0.0308","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517170","7.2763","0.0003","22.2271","0.0009","9.6226","0.0004","90","","90.532","0.001","90","","1556.21","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl3 Fe Ga N O4 -","- C9 H9 Cl3 Fe Ga N O4 -","- C36 H36 Cl12 Fe4 Ga4 N4 O16 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0227","0.0195","","","0.0461","0.0472","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517171","17.867","0.0016","13.5823","0.0012","15.9356","0.0014","90","","109.018","0.003","90","","3656.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl3 Fe Ga O3 P2 -","- C9 H18 Cl3 Fe Ga O3 P2 -","- C72 H144 Cl24 Fe8 Ga8 O24 P16 -","8","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0521","0.0366","","","0.0873","0.0954","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517172","8.6242","0.0005","14.4623","0.0008","17.4482","0.001","90","","98.852","0.002","90","","2150.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl5 Fe Ga N4 O3 -","- C14 H18 Cl5 Fe Ga N4 O3 -","- C56 H72 Cl20 Fe4 Ga4 N16 O12 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0332","0.0254","","","0.0577","0.061","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517173","11.826","0.0008","18.0027","0.0012","9.6374","0.0006","90","","90","","90","","2051.8","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 Cl3 Fe Ga N2 O3 -","- C13 H18 Cl3 Fe Ga N2 O3 -","- C52 H72 Cl12 Fe4 Ga4 N8 O12 -","4","0.5","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0285","0.0204","","","0.0437","0.0473","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517174","28.6201","0.0015","15.3682","0.0008","7.0307","0.0004","90","","90","","90","","3092.4","0.3","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 -","- C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 -","- C60 H144 B8 Cl12 Fe4 Ga4 N8 O12 Si16 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0517","0.0416","","","0.0927","0.0965","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517175","17.8212","0.0017","16.529","0.0017","26.155","0.003","90","","90","","90","","7704.4","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Br3 Fe Ga O3 P2 -","- C9 H18 Br3 Fe Ga O3 P2 -","- C144 H288 Br48 Fe16 Ga16 O48 P32 -","16","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0675","0.0385","","","0.085","0.0993","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517188","20.5225","0.0008","39.0486","0.0005","39.0923","0.0004","119.844","0.001","91.894","0.002","102.976","0.002","26087.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C314 H589 N96 Ni32 O224 S11 -","- C314 N96 Ni32 O224 S11 -","- C628 N192 Ni64 O448 S22 -","2","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.2198","0.1773","","","0.4747","0.5025","","","","","","1.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517189","11.376","0.004","20.675","0.008","17.957","0.007","90","","99.139","0.007","90","","4170","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl2 N12 Ni O10 -","- C37 H33 Cl2 N12 Ni O10 -","- C148 H132 Cl8 N48 Ni4 O40 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","0.71073","MoKα","","0.0957","0.0799","","","0.2099","0.2215","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517190","44.0087","0.0006","20.5888","0.0003","26.8381","0.0003","90","","119.998","0.001","90","","21060.1","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C145 H234 N48 Ni16 O96 S8 -","- C145 H136 N48 Ni16 O96 S8 -","- C580 H544 N192 Ni64 O384 S32 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.054","0.0506","","","0.1358","0.1405","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517191","20.5591","0.0001","35.0164","0.0002","39.44","0.0002","90","","91.301","0.001","90","","28385.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C161 H363 N48 Ni16 O146 S8 -","- C161 H141 N48 Ni16 O146 S8 -","- C644 H564 N192 Ni64 O584 S32 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.0794","0.0674","","","0.1949","0.2074","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517192","31.2","0.0003","31.2","0.0003","25.3435","0.0004","90","","90","","90","","24670.4","0.5","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C158 H190 N48 Ni16 O60 S7 -","- C158 H134 N48 Ni16 O60 S7 -","- C632 H536 N192 Ni64 O240 S28 -","4","0.5","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54178","CuKα","","0.1485","0.1149","","","0.3125","0.3425","","","","","","1.172","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517194","8.2349","0.0003","12.5658","0.0004","12.99","0.0005","90","","90","","90","","1344.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0347","0.0325","","","0.082","0.0836","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517195","6.3154","0.0005","8.1371","0.0007","14.3362","0.0012","85.222","0.003","78.52","0.003","70.043","0.003","678.53","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C32 H24 Br2 N2 O2 -","2","2","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0675","0.0552","","","0.1339","0.1434","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517207","10.871","0.0009","20.7504","0.0019","21.3627","0.0015","64.984","0.002","86.763","0.004","79.326","0.003","4290","0.6","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H87 Co4 N17 O20 -","- C80 H80 Co4 N17 O20 -","- C160 H160 Co8 N34 O40 -","2","1","","Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J.","Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation","Chemical Science","2014","5","10","4017","","10.1039/C4SC01636J","","","0.71073","MoKα","","0.1547","0.1024","","","0.2499","0.282","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517208","10.1905","0.0013","21.156","0.003","22.015","0.003","115.123","0.004","92.484","0.005","99.306","0.005","4207.2","1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H97 Co4 N17 O29 -","- C80 H80 Co4 N17 O29 -","- C160 H160 Co8 N34 O58 -","2","1","","Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J.","Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation","Chemical Science","2014","5","10","4017","","10.1039/C4SC01636J","","","0.71073","MoKα","","0.1525","0.1007","","","0.2604","0.296","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517209","12.1107","0.0003","19.736","0.0008","20.335","0.0008","90","","90","","90","","4860.4","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 F6 N4 O4 Zn2 -","- C48 H54 F6 N4 O4 Zn2 -","- C192 H216 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0734","0.0434","","","0.0788","0.0909","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517210","10.3348","0.0008","10.8803","0.0008","13.2532","0.0011","113.176","0.003","96.805","0.004","91.083","0.003","1356.84","0.19","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","1","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0298","0.0254","","","0.0562","0.0573","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517211","11.8212","0.0009","10.6057","0.0008","18.6077","0.0017","90","","97.779","0.004","90","","2311.4","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H50 F6 N4 O4 Zn2 -","- C46 H50 F6 N4 O4 Zn2 -","- C92 H100 F12 N8 O8 Zn4 -","2","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0733","0.0438","","","0.0738","0.0841","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517212","13.5462","0.0005","19.2935","0.0007","20.7468","0.0007","90","","90","","90","","5422.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H60 F6 N4 O4 Zn2 -","- C58 H60 F6 N4 O4 Zn2 -","- C232 H240 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0319","0.0271","","","0.0639","0.066","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517220","9.4416","0.0009","9.5014","0.0009","9.8153","0.0009","107.922","0.002","91.314","0.002","92.35","0.002","836.5","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H12 Mn0.5 N O14 P3 Zn3 -","- C6 Mn0.5 N O14 P3 Zn3 -","- C12 Mn N2 O28 P6 Zn6 -","2","1","","Wu, Junbiao; Tao, Chunyao; Li, Yi; Yan, Yan; Li, Jiyang; Yu, Jihong","Methylviologen-templated layered bimetal phosphate: a multifunctional X-ray-induced photochromic material","Chem. Sci.","2014","5","11","4237","","10.1039/C4SC01396D","","","0.71073","MoKα","","0.0556","0.0434","","","0.1129","0.1207","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517239","12.8251","0.0019","17.633","0.003","13.342","0.002","90","","93.491","0.003","90","","3011.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 O6 -","- C40 H30 O6 -","- C160 H120 O24 -","4","1","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0549","0.0452","","","0.1263","0.1361","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517240","6.6014","0.0004","17.3786","0.0011","13.6759","0.0009","90","","97.042","0.001","90","","1557.11","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O6 -","- C40 H42 O6 -","- C80 H84 O12 -","2","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0579","0.0423","","","0.1101","0.1197","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517241","6.816","0.002","7.448","0.003","16.417","0.006","79.881","0.007","81.961","0.007","75.475","0.007","790.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","1","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0908","0.0751","","","0.2009","0.218","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517242","6.9613","0.0005","7.1312","0.0005","17.3912","0.0013","91.674","0.001","90.029","0.001","106.619","0.001","826.89","0.1","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","1","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0601","0.05","","","0.1353","0.1437","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517243","6.887","0.0007","31.518","0.003","7.1384","0.0007","90","","107.654","0.0019","90","","1476.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H16 F10 O4 -","- C38 H16 F10 O4 -","- C76 H32 F20 O8 -","2","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0458","0.0432","","","0.1","0.1014","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517244","8.2523","0.0006","12.5862","0.001","15.285","0.0012","73.904","0.0017","86.299","0.0018","83.541","0.0018","1514.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F10 O6 -","- C38 H16 F10 O6 -","- C76 H32 F20 O12 -","2","1","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0549","0.0386","","","0.0933","0.1013","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517255","10.4643","0.0004","12.9834","0.0005","27.5941","0.001","90","","100.005","0.001","90","","3692","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Cl5 N7 O3 P Ru -","- C29 H39 Cl5 N7 O3 P Ru -","- C116 H156 Cl20 N28 O12 P4 Ru4 -","4","1","","Burgess, Samantha A.; Joslin, Evan E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","Hydrophenylation of ethylene using a cationic Ru(ii) catalyst: comparison to a neutral Ru(ii) catalyst","Chem. Sci.","2014","5","11","4355","","10.1039/C4SC01665C","","","0.71073","MoKα","","0.0468","0.0449","","","0.1409","0.1428","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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",""
"1517285","5.5066","0.0001","14.1867","0.0002","20.951","0.0004","90","","90","","90","","1636.7","0.05","193","2","193","2","","","","","","","Schomaker Lab No. SCS2037","4","P 21 21 21","P 2ac 2ab","19","","4-methoxy-2-(1-(naphthalen-2-ylsulfonyl)ethyl)phenol","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C76 H72 O16 S4 -","4","1","","Van Hoveln, R. J.; Schmid, S. C.; Tretbar, M.; Buttke, C. T.; Schomaker, J. M.","Formal asymmetric hydrobromination of styrenes via copper-catalyzed 1,3-halogen migration","Chem. Sci.","2014","5","12","4763","","10.1039/C4SC02040E","","x-ray","1.54184","CuKα","K-L~3~","0.0282","0.0279","","","0.0755","0.0757","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517286","8.5289","0.0005","10.9789","0.0007","11.4493","0.0007","87.759","0.005","72.017","0.005","78.159","0.005","997.68","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O5 S2 -","- C19 H26 O5 S2 -","- C38 H52 O10 S4 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.081","0.0429","","","0.072","0.0768","","","","","","0.802","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517287","16.8843","0.0016","7.6695","0.0004","16.974","0.002","90","","115.956","0.015","90","","1976.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl4 S2 -","- C18 H18 Cl4 S2 -","- C72 H72 Cl16 S8 -","4","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.0591","0.0429","","","0.0924","0.1012","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517288","9.8541","0.0006","11.4575","0.0008","15.9521","0.0013","93.504","0.006","98.701","0.006","114.179","0.007","1608.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H29 Cu2 F6 N4 O7 S3 -","- C25 H29 Cu2 F6 N4 O7 S3 -","- C50 H58 Cu4 F12 N8 O14 S6 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.0503","0.0356","","","0.0783","0.0849","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517289","9.6497","0.0005","10.7181","0.0005","16.889","0.0008","73.733","0.004","86.706","0.004","69.619","0.004","1570.31","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 Cu2 F6 N4 O7 S3 -","- C25 H28 Cu2 F6 N4 O7 S3 -","- C50 H56 Cu4 F12 N8 O14 S6 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.1164","0.058","","","0.0952","0.1123","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517290","8.38","0.0004","20.9662","0.0009","13.0999","0.0006","90","","95.038","0.003","90","","2292.72","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Zn(DMF))2(TTFTC)(DPNI)","","","- C43 H26 N7 O15 S4 Zn2 -","- C43 H26 N7 O15 S4 Zn2 -","- C86 H52 N14 O30 S8 Zn4 -","2","0.5","","Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M.","Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation","Chem. Sci.","2014","5","12","4724","","10.1039/C4SC01551G","","","0.71073","MoKα","","0.1548","0.0937","","","0.238","0.2816","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517296","11.2987","0.0007","14.6667","0.0009","8.2144","0.0005","90","","90","","90","","1361.25","0.14","123","2","123","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C28 H30 N4 O6 Zn -","- C28 H30 N4 O6 Zn -","- C56 H60 N8 O12 Zn2 -","2","0.5","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.0588","0.0559","","","0.1237","0.1253","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517297","22.694","0.002","29.694","0.003","33.408","0.003","90","","90","","90","","22513","4","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C50 H54 N8 O11 Zn2 -","- C50 H54 N8 O11 Zn2 -","- C800 H864 N128 O176 Zn32 -","16","1","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.1414","0.0825","","","0.1963","0.2396","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517298","15.2355","0.0008","15.2355","0.0008","39.1054","0.0019","90","","90","","90","","9077.2","0.8","123","2","123","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C384 H352 N64 O64 Zn16 -","16","0.5","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.0486","0.0382","","","0.1055","0.1135","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517355","18.239","0.003","3.8855","0.0007","25.404","0.004","90","","91.023","0.009","90","","1800","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C104 H64 S8 -","4","1","","Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J.","Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity","Chem. Sci.","2014","5","11","4483","","10.1039/C4SC02210F","","","0.71073","MoKα","","0.1193","0.0697","","","0.1468","0.162","","","","","","1.246","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517356","10.961","0.0012","23.617","0.003","14.6288","0.0016","90","","97.762","0.002","90","","3752.2","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 S2 -","- C26 H15.5 S2 -","- C208 H124 S16 -","8","2","","Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J.","Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity","Chem. Sci.","2014","5","11","4483","","10.1039/C4SC02210F","","","0.71073","MoKα","","0.0667","0.0436","","","0.1084","0.1179","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517358","22.231","0.003","12.5844","0.0017","12.8929","0.0017","90","","90","","90","","3607","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","XPhosAu(MeCN)PF6","(Acetonitrile)[2-dicyclohexylphosphino-2,4,6-triisopropylbiphenyl]gold(I) hexafluorophosphate","","- C35 H52 Au F6 N P2 -","- C35 H52 Au F6 N P2 -","- C140 H208 Au4 F24 N4 P8 -","4","1","","Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W.","Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement","Chem. Sci.","2014","5","12","4975","","10.1039/C4SC02058H","","","0.71073","MoKα","","0.0359","0.0313","","","0.0669","0.0682","","","","","","1.202","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517360","10.1892","0.0003","19.1512","0.0007","22.8693","0.0009","73.339","0.002","83.858","0.002","89.798","0.002","4249","0.3","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","[(P2N2)Mn(CO)(dppm)][BArF]","","- C88.72 H66 B Cl1.44 F24 Mn N2 O P4 -","- C88.72 H66 B Cl1.44 F24 Mn N2 O P4 -","- C177.44 H132 B2 Cl2.88 F48 Mn2 N4 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0887","0.0651","","","0.1405","0.1495","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517361","13.0764","0.0005","16.0035","0.0006","17.7414","0.0006","102.567","0.002","93.99","0.002","113.051","0.002","3284.5","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","(Ph,Me-PNP)Mn(Br)(CO)(bppm)","","- C68 H49 Br F24 Mn N O P4 -","- C68 H49 Br F24 Mn N O P4 -","- C136 H98 Br2 F48 Mn2 N2 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0407","0.0306","","","0.0735","0.0776","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517362","13.4167","0.0003","33.2709","0.0008","14.2193","0.0003","90","","106.658","0.001","90","","6080.9","0.2","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Ph,Me-PNP)MnH(CO)(bppm)","","- C61 H42 F24 Mn N O P4 -","- C61 H42 F24 Mn N O P4 -","- C244 H168 F96 Mn4 N4 O4 P16 -","4","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0735","0.044","","","0.0987","0.1104","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517363","22.5699","0.0012","8.5815","0.0005","10.3862","0.0006","90","","90","","90","","2011.6","0.2","100","","100","","","","","","","","","8","P m n 21","P 2ac -2","31","","(Ph/Me-PNP)Mn(OTf)(CO)3","","- C43 H37 F5 Mn N O6 P2 S -","- C43 H37 F5 Mn N O6 P2 S -","- C86 H74 F10 Mn2 N2 O12 P4 S2 -","2","0.5","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","x-ray","0.71073","MoKα","K-L~3~","0.0267","0.025","","","0.0634","0.0643","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517364","13.826","0.0005","14.0301","0.0005","14.8023","0.0005","108.714","0.001","109.969","0.001","96.491","0.001","2474.82","0.15","150","","150","","","","","","","","","8","P 1","P 1","1","","[(Ph,Me-PNP)Mn(CO(bppm)][B(C6F5)4]","","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","1","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0491","0.042","","","0.1123","0.1174","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517365","20.4905","0.0012","14.9413","0.0013","30.717","0.002","90","","107.769","0.003","90","","8955.5","1.1","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[(Ph,Me-PNP)Mn(CO)2(bppm)][B(C6F5)4]","","- C92 H46 B Br F44 Mn N O2 P4 -","- C92 H46 B Br F44 Mn N O2 P4 -","- C368 H184 B4 Br4 F176 Mn4 N4 O8 P16 -","4","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.1249","0.0594","","","0.127","0.1531","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517366","14.3935","0.0009","15.8738","0.0014","23.3799","0.0017","73.676","0.003","72.993","0.003","82.991","0.004","4897.7","0.6","140","","140","","","","","","","","","9","P -1","-P 1","2","","","","- C100 H55.5 B Br2.5 F44 Mn N O P4 -","- C100 H55.5 B Br2.5 F44 Mn N O P4 -","- C200 H111 B2 Br5 F88 Mn2 N2 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0917","0.0641","","","0.1754","0.1934","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517367","13.6043","0.0018","29.34","0.004","11.7173","0.0015","90","","101.006","0.003","90","","4590.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cl6 N2 -","- C46 H58 Cl6 N2 -","- C184 H232 Cl24 N8 -","4","1","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.0632","0.0489","","","0.121","0.1279","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517368","18.183","0.005","17.083","0.005","10.329","0.003","90","","97.513","0.005","90","","3180.9","1.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N2 -","- C42 H48 N2 -","- C168 H192 N8 -","4","0.5","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.0676","0.0488","","","0.1163","0.126","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517369","25.799","0.006","18.171","0.004","11.441","0.003","90","","103.053","0.004","90","","5225","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 N2 -","- C66 H76 N2 -","- C264 H304 N8 -","4","0.5","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.1196","0.0839","","","0.2355","0.2628","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517370","17.4188","0.0006","17.5604","0.0006","22.7255","0.0004","87.6505","0.001","71.9113","0.0012","60.5328","0.0007","5700.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","hexylTIDS2Pd3PPh34","hexylTIDS2Pd3PPh34","","- C127 H108 Cl6 N2 O4 P4 Pd3 S4 -","- C127 H108 Cl6 N2 O4 P4 Pd3 S4 -","- C254 H216 Cl12 N4 O8 P8 Pd6 S8 -","2","1","","Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka","Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands","Chem. Sci.","2014","5","12","4888","","10.1039/C4SC02018A","","","1.54187","CuKα","","0.0705","0.0663","","","0.2286","0.2344","","","","","","1.578","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517371","13.8975","0.0003","16.8234","0.0003","17.2132","0.0004","99.9912","0.0011","112.238","0.0011","111.275","0.001","3238.06","0.13","123","2","123","2","","","","","","","","8","P -1","-P 1","2","Pd-monoTIDS","Pd_TIDS_PPh3_2","","- C64 H51 Cl4 N O2 P2 Pd S2 -","- C64 H51 Cl4 N O2 P2 Pd S2 -","- C128 H102 Cl8 N2 O4 P4 Pd2 S4 -","2","1","","Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka","Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands","Chem. Sci.","2014","5","12","4888","","10.1039/C4SC02018A","","","1.54187","CuKα","","0.1824","0.1559","","","0.3862","0.4098","","","","","","1.76","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517422","16.6894","0.0003","13.1912","0.0002","17.1396","0.0003","90","","107.752","0.001","90","","3593.67","0.11","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N7 -","- C19 H27 N7 -","- C152 H216 N56 -","8","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0817","0.0727","","","0.1959","0.2055","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517423","40.9186","0.0005","12.999","0.0002","19.2466","0.0002","90","","116.184","0.001","90","","9186.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 F12 N10 O6 P2 Ru -","- C40 H42 F12 N10 P2 Ru -","- C320 H336 F96 N80 P16 Ru8 -","8","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0472","0.0468","","","0.1295","0.1299","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517424","8.5139","0.0002","13.5117","0.0004","21.1951","0.0006","96.631","0.001","94.882","0.001","106.466","0.001","2304.75","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H50 F12 N10 O P2 Ru -","- C44 H50 F12 N10 O P2 Ru -","- C88 H100 F24 N20 O2 P4 Ru2 -","2","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0347","0.0345","","","0.0946","0.095","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517425","8.5505","0.0003","44.204","0.0014","12.3222","0.0004","90","","96.705","0.002","90","","4625.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Br F12 N12 O P2 Ru -","- C41 H45 Br F12 N12 O P2 Ru -","- C164 H180 Br4 F48 N48 O4 P8 Ru4 -","4","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0564","0.0457","","","0.1142","0.1239","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517426","9.6046","0.0004","32.8531","0.0014","17.3497","0.0008","90","","94.903","0.002","90","","5454.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 F12 N12 O9 P2 Ru -","- C42 H48 F12 N12 P2 Ru -","- C168 H192 F48 N48 P8 Ru4 -","4","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0407","0.0402","","","0.1124","0.1129","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517442","12.4607","0.0005","12.792","0.0005","14.1587","0.0006","67.97","0.001","85.66","0.001","68.671","0.001","1943.96","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H85 Cl3 N4 O2 Pt2 -","- C99 H85 Cl3 N4 O2 Pt2 -","- C99 H85 Cl3 N4 O2 Pt2 -","1","0.5","","Cheng, Gang; Kui, Steven C. F.; Ang, Wai-Hung; Ko, Man-Ying; Chow, Pui-Keong; Kwong, Chun-Lam; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Low, Kam-Hung; Su, Shi-Jian; Che, Chi-Ming","Structurally robust phosphorescent [Pt(O^N^C^N)] emitters for high performance organic light-emitting devices with power efficiency up to 126 lm W−1and external quantum efficiency over 20%","Chem. Sci.","2014","5","12","4819","","10.1039/C4SC01105H","","","1.54178","CuKα","","0.0444","0.0439","","","0.1155","0.1182","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517443","16.083","0.005","17.739","0.005","18.562","0.005","115.198","0.005","105.294","0.005","103.514","0.005","4243","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H120 B Dy2 N6 O3 -","- C100 H120 B Dy2 N6 O3 -","- C200 H240 B2 Dy4 N12 O6 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71069","MoKα","","0.0389","0.0303","","","0.0688","0.0726","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517444","16.095","0.0007","17.7564","0.0009","18.5863","0.0009","115.256","0.002","105.236","0.002","103.493","0.002","4256.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H120 B N6 O3 Tb2 -","- C100 H120 B N6 O3 Tb2 -","- C200 H240 B2 N12 O6 Tb4 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71073","MoKα","","0.0361","0.0327","","","0.0727","0.0738","","","","","","1.221","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517445","16.4717","0.0006","17.8945","0.0007","18.2112","0.0007","115.277","0.002","98.616","0.002","102.884","0.002","4545.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H128 B Gd2 N6 O4 -","- C104 H128 B Gd2 N6 O4 -","- C208 H256 B2 Gd4 N12 O8 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71073","MoKα","","0.0757","0.0423","","","0.0745","0.085","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517446","22.168","0.003","25.23","0.003","20.706","0.002","90","","111.311","0.002","90","","10789","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C110 H160 Dy2 K N8 O13 -","- C110 H160 Dy2 K N8 O13 -","- C440 H640 Dy8 K4 N32 O52 -","4","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.7749","synchrotron","","0.0753","0.0511","","","0.119","0.1351","","","","","","1.036","","","","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",""
"1517465","26.0349","0.0005","26.0349","","6.85076","0.00018","90","","90","","120","","4021.44","0.13","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.35 H Fe O3.7 -","- C4.35 H Fe O3.7 -","- C78.3 H18 Fe18 O66.6 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.06385","","1.78","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517466","25.8977","0.0009","25.8977","","6.846","0.0004","90","","90","","120","","3976.4","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H Co O4.25 -","- C4.624 H Co O4.248 -","- C83.232 H18 Co18 O76.464 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.06669","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517467","25.8582","0.0007","25.8582","","6.26149","0.0002","90","","90","","120","","3625.81","0.15","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.34 H Cu O3.68 -","- C4.33933 H Cu O3.67867 -","- C78.108 H18 Cu18 O66.216 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.02721","","1.13","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517468","26.3262","0.0016","26.3262","","7.044","0.0005","90","","90","","120","","4227.9","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.54 H Mn O4.07 -","- C4.535 H Mn O4.07 -","- C81.63 H18 Mn18 O73.26 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05388","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517469","25.914","0.0017","25.914","","6.7986","0.0006","90","","90","","120","","3953.8","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.53 H O4.07 Zn -","- C4.535 H O4.07 Zn -","- C81.63 H18 O73.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0431","","1.04","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517470","25.9067","0.0009","25.9067","","6.8548","0.0005","90","","90","","120","","3984.3","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Co O3 -","- C4 H Co O3 -","- C72 H18 Co18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.11323","","1.01","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517471","25.8733","0.0007","25.8733","","6.25768","0.0002","90","","90","","120","","3627.84","0.15","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Cu O3 -","- C4 H Cu O3 -","- C72 H18 Cu18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.03035","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517472","26.0983","0.0004","26.0983","","6.85119","0.00014","90","","90","","120","","4041.3","0.1","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4406","neutron","","","","","","","","0.0619","","1.68","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517473","26.3331","0.0017","26.3331","","7.0477","0.0005","90","","90","","120","","4232.4","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Mn O3 -","- C4 H Mn O3 -","- C72 H18 Mn18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.04952","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517474","25.9292","0.0024","25.9292","","6.7962","0.0009","90","","90","","120","","3957.1","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H O3 Zn -","- C4 H O3 Zn -","- C72 H18 O54 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0452","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517475","25.8728","0.0008","25.8728","","6.87004","0.0003","90","","90","","120","","3982.7","0.2","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.82 H Mg O4.65 -","- C4.825 H Mg O4.65 -","- C86.85 H18 Mg18 O83.7 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.03757","","1.14","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517476","26.001","0.0005","26.001","","6.86071","0.0002","90","","90","","120","","4016.8","0.14","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.26 H Fe O5.53 -","- C5.263 H Fe O5.526 -","- C94.734 H18 Fe18 O99.468 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.08444","","1.36","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517477","25.8735","0.0012","25.8735","","6.8486","0.0004","90","","90","","120","","3970.5","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.5 H Co O6.01 -","- C5.503 H Co O6.006 -","- C99.054 H18 Co18 O108.108 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.09834","","0.99","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517478","25.8504","0.002","25.8504","","6.8072","0.0008","90","","90","","120","","3939.4","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.29 H O5.57 Zn -","- C5.285 H O5.57 Zn -","- C95.13 H18 O100.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05515","","1.12","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517479","25.89776","0.00033","25.89776","","6.27846","0.0001","90","","90","","120","","3646.77","0.07","150","","150","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5.14 Cu O5.27 -","- C5.13517 Cu O5.27033 -","- C92.433 Cu18 O94.866 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","x-ray","0.72959","","","","","","","","","0.05804","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517480","25.994","0.007","25.994","0.007","6.8127","0.0018","90","","90","","120","","3986.5","1.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10.94 H2 Co2 O11.88 -","- C10.94 H2 Co2 O11.88 -","- C98.46 H18 Co18 O106.92 -","9","0.5","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","","","0.7749","synchrotron","","0.1284","0.0977","","","0.2437","0.2628","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1517481","26.0818","0.0013","26.0818","","6.8783","0.0006","90","","90","","120","","4052.2","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.77 H Fe O4.54 -","- C4.769 H Fe O4.538 -","- C85.842 H18 Fe18 O81.684 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.7948","neutron","","","","","","","","0.08379","","1.56","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517482","25.887","0.0016","25.887","","6.821","0.0006","90","","90","","120","","3958.6","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H O4.25 Zn -","- C4.623 H O4.246 Zn -","- C83.214 H18 O76.428 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05421","","1.08","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517494","13.8166","0.0007","21.7847","0.0012","20.1414","0.0011","90","","103.312","0.001","90","","5899.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H40 N4.5 O13.75 Zn2 -","- C47.5 H40 N4.5 O13.75 Zn2 -","- C190 H160 N18 O55 Zn8 -","4","1","","Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing","Effective sensing of RDX via instant and selective detection of ketone vapors","Chem. Sci.","2014","5","12","4873","","10.1039/C4SC02157F","","","0.71073","MoKα","","0.1238","0.0822","","","0.2006","0.2197","","","","","","1.017","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517495","33.559","0.007","22.171","0.004","19.706","0.004","90","","124.022","0.003","90","","12152","4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N2 O8 Zn2 -","- C40 H24 N2 O8 Zn2 -","- C320 H192 N16 O64 Zn16 -","8","1","","Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing","Effective sensing of RDX via instant and selective detection of ketone vapors","Chem. Sci.","2014","5","12","4873","","10.1039/C4SC02157F","","","0.71073","MoKα","","0.096","0.0693","","","0.2322","0.2565","","","","","","1.048","","","","has coordinates","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",""
"1517745","7.6281","0.0005","29.8493","0.0019","8.037","0.0005","90","","95.421","0.004","90","","1821.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 P -","- C24 H21 P -","- C96 H84 P4 -","4","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71073","MoKα","","0.0622","0.0557","","","0.1347","0.1373","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517746","12.054","0.005","9.298","0.005","18.724","0.005","90","0.005","99.348","0.005","90","0.005","2070.7","1.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 P -","- C26 H23 P -","- C104 H92 P4 -","4","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71069","MoKα","","0.0587","0.0412","","","0.0952","0.1043","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517747","19.514","0.002","13.301","0.0014","20.028","0.002","90","","119.519","0.001","90","","4523.6","0.8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 P -","- C30 H25 P -","- C240 H200 P8 -","8","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71069","MoKα","","0.0673","0.0488","","","0.1219","0.1372","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517779","9.059","0.0012","11.3961","0.0016","15.78","0.002","68.8889","0.0016","79.0989","0.0017","67.1611","0.0016","1398.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 O4 S4 -","- C34 H20 O4 S4 -","- C68 H40 O8 S8 -","2","1","","Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi","Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework","Chem. Sci.","2014","5","12","4693","","10.1039/C4SC02593H","","","0.7749","synchrotron","","0.064","0.0554","","","0.1761","0.1875","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517780","15.9142","0.0007","7.9235","0.0004","20.8037","0.001","90","","106.326","0.003","90","","2517.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H48 N4 S4 -","- C65 H48 N4 S4 -","- C130 H96 N8 S8 -","2","1","","Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi","Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework","Chem. Sci.","2014","5","12","4693","","10.1039/C4SC02593H","","","0.7749","synchrotron","","0.078","0.0557","","","0.1379","0.1511","","","","","","1.017","","","","has coordinates,has disorder","176729","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",""
"1517842","14.659","0.0009","12.4208","0.0004","20.7836","0.0009","90","","108.784","0.003","90","","3582.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 B N P -","- C40 H53 B N P -","- C160 H212 B4 N4 P4 -","4","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0854","0.0545","","","0.1259","0.1463","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517843","14.7651","0.0004","17.3362","0.0004","23.4491","0.0003","90","","90","","90","","6002.3","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H58 B2 F20 P2 -","- C63 H58 B2 F20 P2 -","- C252 H232 B8 F80 P8 -","4","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0352","0.0337","","","0.08","0.0812","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517844","10.067","0.0007","11.7645","0.0011","13.4704","0.0013","109.385","0.003","97.336","0.005","114.39","0.005","1303.9","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 B F10 P -","- C29 H18 B F10 P -","- C58 H36 B2 F20 P2 -","2","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0364","0.0351","","","0.0935","0.0946","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517845","9.1195","0.0003","19.955","0.0005","18.047","0.0005","90","","91.39","0.002","90","","3283.22","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 B F10 P -","- C35 H30 B F10 P -","- C140 H120 B4 F40 P4 -","4","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0463","0.0434","","","0.1176","0.1198","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517846","25.474","0.0007","12.5753","0.0003","19.1732","0.0004","90","","109.881","0.002","90","","5775.9","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 B F10 P -","- C25 H26 B F10 P -","- C200 H208 B8 F80 P8 -","8","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0487","0.0392","","","0.1018","0.1069","","","","","","1.072","","","","has coordinates","176729","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",""
"1531039","14.3767","0.0009","24.3477","0.0016","24.5528","0.0014","90.131","0.002","93.427","0.003","91.09","0.003","8577.5","0.9","100","2","100","2","","","","","","","","5","P 1","P 1","1","","NR443-B","","- C70.45 H104.45 Cl13.38 N8 O12.05 -","- C70.4595 H104.46 Cl13.3785 N8 O12.053 -","- C281.838 H417.838 Cl53.514 N32 O48.212 -","4","4","","Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R.","Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties","Chem. Sci.","2016","7","1","183","","10.1039/C5SC03187G","","x-ray","0.71073","MoKα","","0.1402","0.0823","","","0.1987","0.2339","","","","","","1.016","","","","has coordinates,has disorder","175932","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",""
"1531311","12.489","0.003","12.502","0.003","20.618","0.005","84.375","0.004","75.312","0.004","65.747","0.004","2839.1","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H79 B N3 O2 Sc Si -","- C60 H79 B N3 O2 Sc Si -","- C120 H158 B2 N6 O4 Sc2 Si2 -","2","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.0685","0.053","","","0.139","0.1492","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531312","13.706","0.003","12.501","0.003","31.255","0.007","90","","97.34","0.005","90","","5311","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H81 B N3 O2 Sc Si -","- C54 H81 B N3 O2 Sc Si -","- C216 H324 B4 N12 O8 Sc4 Si4 -","4","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.1264","0.0622","","","0.1341","0.1587","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531313","12.0903","0.0016","12.7458","0.0017","18.106","0.002","93.545","0.002","99.571","0.002","114.287","0.002","2481.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H75 B N3 O4 Sc Si -","- C53 H68 B N3 O4 Sc Si -","- C106 H136 B2 N6 O8 Sc2 Si2 -","2","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.1064","0.0634","","","0.1513","0.1716","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1531314","12.7148","0.0012","14.2837","0.0016","15.4973","0.0017","102.293","0.004","99.228","0.004","91.066","0.004","2710.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","ScCOMePy","","","- C59 H79 B N4 O Sc Si -","- C59 H79 B N4 O Sc Si -","- C118 H158 B2 N8 O2 Sc2 Si2 -","2","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.0508","0.041","","","0.1085","0.1154","","","","","","1.063","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1531315","12.8438","0.0017","20.755","0.003","18.74","0.003","90","","108.462","0.006","90","","4738.5","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ScCOEthylene","","","- C50 H71 B N3 O2 Sc Si -","- C50 H71 B N3 O2 Sc Si -","- C200 H284 B4 N12 O8 Sc4 Si4 -","4","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.0676","0.0498","","","0.1063","0.1138","","","","","","1.092","","","","has coordinates,has disorder","176428","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",""
"1532467","26.261","0.003","5.162","0.0004","9.7804","0.001","90","","111.188","0.012","90","","1236.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H7 F2 N3 O3 S -","- C11 H7 F2 N3 O3 S -","- C44 H28 F8 N12 O12 S4 -","4","1","","Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan","A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells","Chem. Sci.","2016","7","1","256","","10.1039/C5SC02431E","","","1.54178","CuKα","","0.0308","0.0293","","","0.0848","0.0857","","","","","","1.088","","","","has coordinates","175922","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",""
"1532488","5.2396","0.0012","10.766","0.002","12.305","0.002","97.556","0.01","93.106","0.012","95.573","0.01","683.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br N3 O2 -","- C15 H10 Br N3 O2 -","- C30 H20 Br2 N6 O4 -","2","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0419","0.0334","","","0.0846","0.0891","","","","","","1.031","","","","has coordinates,has disorder","175927","2020-10-21","18:00:00",""
"1532489","9.3536","0.0002","17.701","0.0004","9.8752","0.0002","90","","111.505","0.0012","90","","1521.2","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0497","0.0396","","","0.1047","0.1127","","","","","","1.033","","","","has coordinates,has disorder","175927","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",""
"1532503","15.6926","0.0012","17.5019","0.0012","21.2042","0.0017","90","","110.633","0.0014","90","","5450.2","0.7","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H80 Fe2 O6 P2 Si8 -","- C38 H80 Fe2 O6 P2 Si8 -","- C152 H320 Fe8 O24 P8 Si32 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0829","0.0716","","","0.1764","0.1846","","","","","","1.092","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532504","9.4542","0.0008","11.3877","0.001","16.3807","0.0015","75.408","0.005","87.846","0.007","79.154","0.006","1676.1","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H52 Fe N O3 P Si4 -","- C26 H52 Fe N O3 P Si4 -","- C52 H104 Fe2 N2 O6 P2 Si8 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0328","0.0318","","","0.0845","0.0855","","","","","","1.069","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532505","11.1846","0.0009","11.2283","0.001","14.972","0.002","83.758","0.015","76.946","0.013","60.902","0.008","1600.5","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H49 Fe O3 P Si5 -","- C22 H49 Fe O3 P Si5 -","- C44 H98 Fe2 O6 P2 Si10 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0561","0.0444","","","0.0977","0.1048","","","","","","1.072","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532506","11.387","0.003","14.883","0.004","24.983","0.006","90","","90","","90","","4233.9","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Fe O3 P Si4 Sn -","- C37 H56 Fe O3 P Si4 Sn -","- C148 H224 Fe4 O12 P4 Si16 Sn4 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0741","0.0592","","","0.1244","0.1351","","","","","","1.089","","","","has coordinates","175939","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",""
"1534126","7.2317","0.0005","11.2958","0.0007","32.232","0.002","90","","90","","90","","2633","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0437","0.0371","","","0.0943","0.099","","","","","","1.027","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534127","5.792","0.003","23.556","0.009","11.041","0.005","90","","113.83","0.03","90","","1378","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","1.54178","CuKα","","0.0458","0.0392","","","0.1006","0.1056","","","","","","1.07","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534128","11.1595","0.0011","6.7253","0.0007","11.4275","0.0012","90","","103.413","0.001","90","","834.25","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0359","0.0334","","","0.0849","0.0872","","","","","","1.033","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534129","7.6287","0.0009","11.5801","0.0013","20.615","0.002","90","","90","","90","","1821.2","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0565","0.0391","","","0.0765","0.0829","","","","","","1.059","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534130","13.668","0.006","15.095","0.006","19.109","0.008","79.735","0.004","89.183","0.004","63.926","0.004","3475","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C109 H158 Cl10 Cu4 F24 N12 O12 Sb4 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.1275","0.0567","","","0.1213","0.1484","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1534131","7.553","0.005","12.357","0.007","12.549","0.008","83.18","0.04","74.39","0.02","84.51","0.04","1117.6","1.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","1","0.5","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71069","MoKα","","0.1813","0.0694","","","0.1185","0.1597","","","","","","0.947","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534132","11.769","0.012","14.134","0.013","23.62","0.02","84.13","0.03","87.54","0.02","84.78","0.02","3890","6","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H118 B2 O4 -","- C96 H118 B2 O4 -","- C192 H236 B4 O8 -","2","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.7107","MoKα","","0.1791","0.1016","","","0.2431","0.3144","","","","","","1.064","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534133","15.4324","0.0012","29.3994","0.0018","21.2075","0.0013","90","","97.632","0.002","90","","9536.7","1.1","103","2","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H130 B2 K3 N6 O18 -","- C102 H130 B2 K3 N6 O18 -","- C408 H520 B8 K12 N24 O72 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71075","MoKα","","0.106","0.088","","","0.2196","0.2351","","","","","","1.15","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534134","17.0469","0.0003","17.6986","0.0003","23.1757","0.0004","90","","99.4921","0.0009","90","","6896.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H82 B2 N4 O4 -","- C88 H82 B2 N4 O4 -","- C352 H328 B8 N16 O16 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","1.54187","CuKα","","0.0777","0.0555","","","0.142","0.1574","","","","","","1.063","","","","has coordinates,has disorder","175928","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",""
"1534349","11.113","0.003","35.197","0.009","9.482","0.003","90","","102.084","0.007","90","","3626.6","1.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,3-triol","(3R,4S,5S)-4-benzyloxy-2,2-dimethyl-5-tris(trimethylsilyl)siloxy-6-phenylhex-1-en-3-ol","","- C30 H54 O3 Si4 -","- C30 H54 O3 Si4 -","- C120 H216 O12 Si16 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.0847","","","","0.2172","","","","","","0.961","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1534350","16.614","0.019","18.221","0.019","14.051","0.016","90","","105.69","0.02","90","","4095","8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bissilyloxy aldehyde","(2R,3R)-2,3-bis(tris(trimethylsilyl)siloxy)-hexanal","","- C24 H64 O3 Si8 -","- C24 H64 O3 Si8 -","- C96 H256 O12 Si32 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.2228","","","","0.531","","","","","","1.285","","","","has coordinates","175923","2020-10-21","18:00:00",""
"1534393","11.1928","0.0019","21.893","0.004","32.961","0.006","90","","92.044","0.003","90","","8072","2","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H74 Cl4 F12 N6 O5 P2 -","- C86 H74 Cl4 F12 N6 O5 P2 -","- C344 H296 Cl16 F48 N24 O20 P8 -","4","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1526","0.1285","","","0.302","0.3181","","","","","","1.192","","","","has coordinates,has disorder","175916","2020-10-21","18:00:00",""
"1534394","11.354","0.002","17.925","0.004","30.835","0.006","103.44","0.03","93.42","0.03","103.76","0.03","5884","2","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H97 Cl21 F12 N6 O6 P2 -","- C106 H97 Cl21 F12 N6 O6 P2 -","- C212 H194 Cl42 F24 N12 O12 P4 -","2","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1317","0.1055","","","0.2671","0.2908","","","","","","1.124","","","","has coordinates,has disorder","175916","2020-10-21","18:00:00",""
"1534395","33.379","0.005","33.379","0.005","40.257","0.008","90","","90","","90","","44853","13","173.15","","173.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C99 H88 F6 N5 O7 P -","- C99 H88 F6 N5 O7 P -","- C1584 H1408 F96 N80 O112 P16 -","16","","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1898","0.1781","","","0.483","0.4905","","","","","","1.94","","","","has coordinates","175916","2020-10-21","18:00:00",""
"1534396","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C193 H178 Cl2 N8 O36 -","- C193 H178 Cl2 N8 O36 -","- C386 H356 Cl4 N16 O72 -","2","1","","Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric","Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles","Chem. Sci.","2016","7","1","525","","10.1039/C5SC03301B","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","175919","2020-10-21","18:00:00",""
"1534397","13.8888","0.001","13.8888","0.001","25.754","0.004","90","","90","","120","","4302.3","0.8","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H25 Cl3 N2 S2 -","- C30 H25 Cl3 N2 S2 -","- C180 H150 Cl18 N12 S12 -","6","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1269","0.0631","","","0.1294","0.1637","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534398","22.178","0.006","7.454","0.002","18.052","0.005","90","","104.184","0.005","90","","2893.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N2 O2 S2 -","- C31 H32 N2 O2 S2 -","- C124 H128 N8 O8 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1235","0.0554","","","0.1208","0.1449","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534399","20.1561","0.0015","9.0577","0.0007","17.1173","0.0013","90","","93.287","0.001","90","","3119.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 N2 O4 S2 -","- C32 H31 F3 N2 O4 S2 -","- C128 H124 F12 N8 O16 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.0587","0.0467","","","0.1601","0.1742","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1534400","18.22","0.005","12.964","0.004","24.265","0.007","90","","90","","90","","5731","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H62 N6 O2 S4 -","- C64 H62 N6 O2 S4 -","- C256 H248 N24 O8 S16 -","4","0.5","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1672","0.0698","","","0.147","0.1789","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536868","16.203","0.003","22.757","0.005","14.315","0.003","90","","104.77","0.03","90","","5104","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C176 H144 Cl12 Dy4 N16 O40 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0528","0.0402","","","0.0922","0.0976","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536869","10.6898","0.0004","15.3759","0.0006","16.5328","0.0004","92.178","0.003","108.24","0.003","99.096","0.003","2537.31","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H40 Br3 Cl0 Dy N4 O12 Zn2 -","- C45 H40 Br3 Dy N4 O12 Zn2 -","- C90 H80 Br6 Dy2 N8 O24 Zn4 -","2","1","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0867","0.0684","","","0.1779","0.1924","","","","","","1.039","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536870","12.6367","0.0006","16.8613","0.0008","23.4058","0.0012","90","","104.117","0.005","90","","4836.5","0.4","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C176 H152 Br16 Dy4 N16 O36 Zn10 -","2","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.7107","MoKα","","0.0937","0.0517","","","0.1127","0.1346","","","","","","1.06","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536871","16.2823","0.0006","23.8976","0.001","14.0704","0.0006","90","","104.843","0.004","90","","5292.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C176 H192 Cl12 Dy4 N16 O32 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0461","0.0366","","","0.0893","0.0947","","","","","","1.081","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536875","10.881","0.0016","19.554","0.003","29.442","0.004","90","","90","","90","","6264.3","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3","","","- C66 H90 N2 O8 Zn2 -","- C66 H90 N2 O8 Zn2 -","- C264 H360 N8 O32 Zn8 -","4","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1766","0.0825","","","0.1356","0.1631","","","","","","1.056","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536876","10.671","0.005","19.665","0.009","17.723","0.008","90","","97.137","0.007","90","","3690","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 O4 Zn -","- C38 H50 N2 O4 Zn -","- C152 H200 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2969","0.1078","","","0.1372","0.1933","","","","","","0.997","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536877","12.2437","0.0008","18.3841","0.0011","30.3846","0.0019","90","","90","","90","","6839.3","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5","","","- C32 H46 N2 O4 Zn -","- C32 H46 N2 O4 Zn -","- C256 H368 N16 O32 Zn8 -","8","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1263","0.0486","","","0.0931","0.1202","","","","","","0.992","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536878","10.6541","0.0009","19.7432","0.0017","17.8899","0.0015","90","","99.193","0.001","90","","3714.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C36 H52 N4 O4 Zn -","- C36 H52 N4 O4 Zn -","- C144 H208 N16 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1079","0.0582","","","0.1371","0.163","","","","","","1.015","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536879","10.404","0.003","32.256","0.008","13.672","0.003","90","","111.664","0.004","90","","4264.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N2 O4 Zn -","- C47 H56 N2 O4 Zn -","- C188 H224 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2885","0.0812","","","0.1753","0.2965","","","","","","0.818","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536880","12.617","0.003","18.443","0.004","15.543","0.003","90","","102.81","0.03","90","","3526.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9","","","- C76 H96 N2 O8 Zn2 -","- C76 H96 N2 O8 Zn2 -","- C152 H192 N4 O16 Zn4 -","2","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2124","0.1127","","","0.301","0.3719","","","","","","1.062","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1536881","7.6947","0.0009","13.1945","0.0015","27.271","0.003","90","","95.507","0.002","90","","2756","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","10","","","- C31 H36 N O2 Zn0.5 -","- C31 H36 N O2 Zn0.5 -","- C124 H144 N4 O8 Zn2 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1315","0.0583","","","0.1168","0.1434","","","","","","1.001","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536882","15.4724","0.0016","15.4781","0.0016","28.908","0.003","78.73","0.004","88.358","0.004","60.122","0.003","5867.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","11","","","- C127.8 H160.2 N3 O12 Zn3 -","- C118 H148.648 N3 O12 Zn3 -","- C236 H297.296 N6 O24 Zn6 -","2","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1811","0.1496","","","0.3209","0.3344","","","","","","1.216","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1538431","15.8828","0.0018","6.8328","0.0008","13.9502","0.0016","90","","107.844","0.002","90","","1441.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 N2 O3 S -","- C17 H8 N2 O3 S -","- C68 H32 N8 O12 S4 -","4","1","","Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai","Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior","Chem. Sci.","2016","7","1","655","","10.1039/C5SC01945A","","","0.71073","MoKα","","0.1021","0.0669","","","0.162","0.2021","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540023","30.518","0.002","31.449","0.002","54.722","0.004","81.113","0.004","76.27","0.004","68.114","0.004","47215","6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 -","- C625 H507 B5 Cd12 F26 N145 O3 P Ru4 -","- C1250 H1014 B10 Cd24 F52 N290 O6 P2 Ru8 -","2","1","","Metherell, Alexander J.; Ward, Michael D.","Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component","Chem. Sci.","2016","7","2","910","","10.1039/C5SC03526K","","","1.54178","CuKα","","0.2488","0.1639","","","0.3963","0.4363","","","","","","1.251","","","","has coordinates","175912","2020-10-21","18:00:00",""
"1540182","12.657","0.0012","17.3227","0.0016","13.6878","0.0013","90","","91.065","0.004","90","","3000.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B2 Cu2 Mn4 O8 -","- C28 H20 B2 Cu2 Mn4 O8 -","- C112 H80 B8 Cu8 Mn16 O32 -","4","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0396","0.0308","","","0.0743","0.078","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540183","17.4662","0.0013","12.1607","0.0009","15.4013","0.0018","90","","119.822","0.002","90","","2838.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Au2 B2 Mn4 O8 -","- C28 H20 Au2 B2 Mn4 O8 -","- C112 H80 Au8 B8 Mn16 O32 -","4","0.5","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0195","0.0167","","","0.04","0.0409","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540184","11.174","0.0008","11.176","0.0008","19.8602","0.0014","83.931","0.002","83.831","0.002","75.995","0.002","2384.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C100 H152 B2 Cu2 Mn4 O8 P4 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.068","0.0428","","","0.0869","0.0966","","","","","","0.992","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540185","12.516","0.002","13.405","0.003","19.099","0.004","100.262","0.005","97.963","0.005","95.107","0.005","3101.4","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C140 H166 B2 Cu2 Mn4 N4 O8 P2 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0642","0.041","","","0.0839","0.0913","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540186","20.1366","0.0014","18.5935","0.0012","28.856","0.002","90","","95.5214","0.0019","90","","10753.8","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C138 H112 Cu2 N4 S -","- C138 H112 Cu2 N4 S -","- C552 H448 Cu8 N16 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0648","0.0549","","","0.134","0.14","","","","","","1.076","","","","has coordinates,has disorder","175926","2020-10-21","18:00:00",""
"1540187","12.65","0.003","18.177","0.005","23.842","0.006","90","","91.587","0.003","90","","5480","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H59 Cl2 Cu N2 S -","- C70 H59 Cl2 Cu N2 S -","- C280 H236 Cl8 Cu4 N8 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.1443","0.0833","","","0.1864","0.2134","","","","","","1.056","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540188","12.6538","0.001","10.6947","0.0009","19.3375","0.0015","90","","90","","90","","2616.9","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H37 Cu N2 S -","- C27 H37 Cu N2 S -","- C108 H148 Cu4 N8 S4 -","4","0.5","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0606","0.0561","","","0.126","0.1284","","","","","","1.04","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540189","6.3072","0.0001","12.4643","0.0003","12.5184","0.0003","101.141","0.001","100.174","0.001","103.802","0.0012","911.73","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H31 B2 N O4 -","- C15 H31 B2 N O4 -","- C30 H62 B4 N2 O8 -","2","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0613","0.0495","","","0.1087","0.1137","","","","","","1.093","","","","has coordinates","175936","2020-10-21","18:00:00",""
"1540190","12.741","0.0002","12.948","0.0002","20.76","0.0003","90","","92.575","0.001","90","","3421.33","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Mg N3 O -","- C37 H49 Mg N3 O -","- C148 H196 Mg4 N12 O4 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0837","0.0569","","","0.1247","0.1347","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540191","22.747","0.0002","13.264","0.0001","24.917","0.0002","90","","115.512","0.001","90","","6784.83","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H98 Mg2 N6 O2 -","- C74 H98 Mg2 N6 O2 -","- C296 H392 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1025","0.0561","","","0.1192","0.1405","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540192","13.7058","0.0002","13.1659","0.0002","22.9509","0.0003","90","","96.1775","0.0006","90","","4117.42","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 B Mg N3 O -","- C40 H64 B Mg N3 O2 -","- C160 H256 B4 Mg4 N12 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0894","0.0498","","","0.1103","0.1273","","","","","","1.018","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540193","12.3279","0.0005","30.1877","0.0009","26.5175","0.0011","90","","102.622","0.002","90","","9630","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C102 H132 B Mg2 N6 O2 -","- C102 H132 B Mg2 N6 O2 -","- C408 H528 B4 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1638","0.0804","","","0.1714","0.211","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540390","37.115","0.008","37.115","0.008","8.929","0.0019","90","","90","","120","","10652","4","103","2","103","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.0951","0.056","","","0.1134","0.1371","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540391","14.623","0.006","14.269","0.005","15.12","0.006","90","","109.197","0.007","90","","2979","2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 O2 -","- C84 H72 O2 -","- C168 H144 O4 -","2","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.1713","0.096","","","0.2429","0.2959","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540427","31.467","0.005","9.589","0.005","30.77","0.005","90","","91.556","0.005","90","","9281","5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C78 H96 Cl16 Fe2 N8 O18 -","- C78 H96 Cl16 Fe2 N8 O18 -","- C312 H384 Cl64 Fe8 N32 O72 -","4","1","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71069","MoKα","","0.1108","0.0679","","","0.1584","0.1791","","","","","","1.031","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540428","15.165","0.005","18.236","0.005","15.623","0.005","90","0.005","103.044","0.005","90","0.005","4209","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 Cl14 Fe4 N8 -","- C76 H92 Cl14 Fe4 N8 -","- C152 H184 Cl28 Fe8 N16 -","2","0.5","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71073","MoKα","","0.068","0.0489","","","0.1214","0.1332","","","","","","1.032","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540429","3.6831","0.0002","25.8877","0.0019","16.8155","0.0011","90","","90","","90","","1603.31","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K2 S7 Sn3 -","- K2 S7 Sn3 -","- K8 S28 Sn12 -","4","0.25","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.0796","0.0749","","","0.2183","0.2237","","","","","","1.14","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540430","13.092","0.003","16.882","0.002","7.3748","0.0013","90","","98.1","0.015","90","","1613.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- K1.92 S7.04 Sn3.04 -","- K1.912 S7.041 Sn3.041 -","- K7.648 S28.164 Sn12.164 -","4","1","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.141","0.1063","","","0.2807","0.31","","","","","","1.135","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540431","10.8398","0.0018","16.34","0.003","17.69","0.003","85.439","0.006","75.15","0.005","82.111","0.006","2996.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H74 As N4 -","- C72 H74 As N4 -","- C144 H148 As2 N8 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.1623","0.0596","","","0.1122","0.147","","","","","","0.965","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540432","10.6316","0.0009","12.8458","0.001","20.4651","0.0017","85.732","0.004","82.704","0.005","66.749","0.004","2546.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9995 N3 P0.9999 -","- C120 H124 As1.999 N6 P1.9998 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0767","0.0576","","","0.1413","0.1486","","","","","","1.008","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540433","10.6707","0.0005","12.7933","0.0006","20.5386","0.0009","85.861","0.003","82.563","0.003","67.099","0.002","2560.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9997 N3 P0.9997 -","- C120 H124 As1.9994 N6 P1.9994 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0881","0.0465","","","0.0934","0.1013","","","","","","0.877","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540434","24.123","0.002","12.4043","0.0009","39.14","0.003","90","","106.871","0.003","90","","11207.8","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.25 H71.25 As N3 P2 -","- C65.252 H71.252 As N3 P2 -","- C522.016 H570.016 As8 N24 P16 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0897","0.0511","","","0.1059","0.1204","","","","","","1.005","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540435","13.5212","0.0003","15.0131","0.0004","16.025","0.0002","90","","116.716","0.001","90","","2905.73","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Ir O P2 S2 -","- C29 H37 Ir O P2 S2 -","- C116 H148 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0348","0.0276","","","0.0632","0.0682","","","","","","1.044","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540436","12.8155","0.0007","14.1374","0.0008","19.4358","0.0011","105.409","0.002","103.594","0.002","93.729","0.002","3269","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H40 Ir O2 P2 S2 -","- C32.5 H40 Ir O2 P2 S2 -","- C130 H160 Ir4 O8 P8 S8 -","4","2","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0382","0.0356","","","0.0894","0.0917","","","","","","1.031","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540437","14.5417","0.0003","11.2071","0.0002","22.7055","0.0005","90","","106.959","0.001","90","","3539.41","0.13","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br Ir O P2 S2 -","- C36 H44 Br Ir O P2 S2 -","- C144 H176 Br4 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0214","0.0201","","","0.0491","0.0497","","","","","","1.073","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540438","12.4862","0.0003","13.6671","0.0005","23.602","0.0006","90","","118.383","0.002","90","","3543.52","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl3 Ir P2 S2 -","- C36 H44 Cl3 Ir P2 S2 -","- C144 H176 Cl12 Ir4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0757","0.0552","","","0.1355","0.1511","","","","","","1.132","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540439","29.3975","0.0005","17.9182","0.0003","23.5916","0.0006","90","","122.649","0.001","90","","10463.3","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C248 H288 Cl8 F48 Ir8 O48 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0635","0.0498","","","0.1303","0.1443","","","","","","1.02","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540440","27.4764","0.0005","20.4688","0.0004","18.4422","0.0004","90","","112.874","0.001","90","","9556.4","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C248 H304 Cl8 F48 Ir8 O56 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0437","0.0391","","","0.1051","0.1089","","","","","","1.037","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540441","11.8013","0.0012","5.5827","0.0006","22.723","0.002","90","","100.092","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.19 H10.98 Ca O6 S -","- C15.108 H10.77 Ca O6 S -","- C60.432 H43.08 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0643","0.0523","","","0.1177","0.1233","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540442","11.7292","0.0013","5.5685","0.0006","22.792","0.003","90","","100.493","0.002","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.6 H9.36 Ca O6 S -","- C14.63 H9.44 Ca O6 S -","- C58.52 H37.76 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.057","0.0462","","","0.1037","0.1088","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540443","11.715","0.0006","5.5679","0.0003","22.8208","0.0011","90","","100.532","0.001","90","","1463.48","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.63 H9.47 Ca O6 S -","- C14.63 H9.47 Ca O6 S -","- C58.52 H37.88 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0645","0.0618","","","0.1292","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540444","11.8767","0.0011","5.5769","0.0005","22.486","0.002","90","","99.893","0.001","90","","1467.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.58 H11.8 Ca O6 S -","- C15.58 H11.792 Ca O6 S -","- C62.32 H47.168 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.056","0.047","","","0.1151","0.1192","","","","","","1.111","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540445","11.7073","0.001","5.5647","0.0005","22.83","0.002","90","","100.586","0.001","90","","1462","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.5 H9.34 Ca O6 S -","- C14.501 H9.336 Ca O6 S -","- C58.004 H37.344 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0439","0.0372","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540446","11.6426","0.0008","5.5574","0.0004","22.8446","0.0016","90","","100.681","0.001","90","","1452.5","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.31 H11.5 Ca O6 S -","- C15.311 H11.496 Ca O6 S -","- C61.244 H45.984 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0349","0.0324","","","0.084","0.0857","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540447","11.6884","0.0005","5.5643","0.0002","22.8159","0.001","90","","100.691","0.004","90","","1458.14","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.72 H9.79 Ca O6 S -","- C14.716 H9.79 Ca O6 S -","- C58.864 H39.16 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","x-ray","0.71073","MoKα","","0.0437","0.0346","","","0.0806","0.0858","","","","","","1.01","","","","has coordinates","175934","2020-10-21","18:00:00",""
"1540457","5.8762","0.0009","23.96","0.002","12.4969","0.0012","90","","91.956","0.01","90","","1758.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H56 Cl2 N10 -","- C31 H56 Cl1.9999 N10 -","- C62 H112 Cl3.9998 N20 -","2","0.5","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.128","0.0788","","","0.2","0.2294","","","","","","1.051","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540458","21.414","0.0019","11.9388","0.0009","25.308","0.002","90","","96.333","0.008","90","","6430.7","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H91 N21 O4 -","- C60 H91 N21 O4 -","- C240 H364 N84 O16 -","4","1","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.1552","0.0677","","","0.118","0.1495","","","","","","1.005","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540459","14.485","0.004","7.985","0.002","23.646","0.007","90","","106.418","0.006","90","","2623.4","1.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonsc01","(4-MeO-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O3 P2 -","- C23 H41 Cl Ni O3 P2 -","- C92 H164 Cl4 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0934","0.0498","","","0.0939","0.1087","","","","","","1.024","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540460","9.8433","0.0017","19.618","0.003","13.982","0.002","90","","105.052","0.004","90","","2607.4","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonsc05","(4-Me-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O2 P2 -","- C23 H41 Cl Ni O2 P2 -","- C92 H164 Cl4 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0928","0.0485","","","0.0973","0.1123","","","","","","1.022","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540461","9.756","0.003","19.408","0.006","14.026","0.004","90","","104.528","0.006","90","","2570.8","1.3","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc04","(4-MeO-t-BuPOCOP)Ni-H","","- C23 H42 Ni O3 P2 -","- C23 H42 Ni O3 P2 -","- C92 H168 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0949","0.0493","","","0.099","0.1152","","","","","","1.029","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540462","9.528","0.003","20.201","0.007","13.434","0.005","90","","100.908","0.007","90","","2539","1.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc03","(4-Me-t-BuPOCOP)Ni-H","","- C23 H42 Ni O2 P2 -","- C23 H42 Ni O2 P2 -","- C92 H168 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0868","0.0571","","","0.1174","0.1264","","","","","","1.134","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540463","15.131","0.003","12.589","0.002","17.529","0.003","90","","106.717","0.004","90","","3197.9","1","100","0.5","100","0.5","","","","","","","hexane/MeOH","5","P 1 21/n 1","-P 2yn","14","jonsc02","(3,5-t-Bu2-t-BuPOCOP)Ni-H","","- C30 H56 Ni O2 P2 -","- C30 H56 Ni O2 P2 -","- C120 H224 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0988","0.0527","","","0.1088","0.1271","","","","","","1.043","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540464","7.6473","0.0009","12.5571","0.0015","15.1719","0.0018","90","","92.552","0.002","90","","1455.5","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/m 1","-P 2yb","11","jonsc15","[(4-Me-t-BuPOCOP)Ni-NCMe]+ [BF4]-","","- C25 H44 B F4 N Ni O2 P2 -","- C25 H44 B F4 N Ni O2 P2 -","- C50 H88 B2 F8 N2 Ni2 O4 P4 -","2","0.5","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0588","0.0389","","","0.0817","0.0896","","","","","","1.029","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540467","9.9877","0.0005","15.1541","0.0007","10.2131","0.0006","90","","103.161","0.005","90","","1505.2","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 O6 -","- C17 H11 N3 O6 -","- C68 H44 N12 O24 -","4","1","","Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon","Synergistic catalysis: cis-cyclopropanation of benzoxazoles","Chem. Sci.","2016","7","2","984","","10.1039/C5SC03597J","","x-ray","0.71073","MoKα","","0.1725","0.1503","","","0.3307","0.3428","","","","","","1.08","","","","has coordinates","175903","2020-10-21","18:00:00",""
"1540468","5.616","0.0008","13.1439","0.0019","22.937","0.002","90","","90","","90","","1693.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C80 H64 Br4 N4 O4 -","4","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.1018","0.0634","","","0.1317","0.1615","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540469","16.0499","0.0009","7.6796","0.0003","22.6554","0.0011","90","","90","","90","","2792.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br N -","- C16 H15 Br N -","- C128 H120 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","","","0.1402","0.0566","","","0.1161","0.1477","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540470","9.5118","0.0019","19.672","0.004","9.821","0.002","90","","91.45","0.03","90","","1837.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.0749","0.0458","","","0.1167","0.1326","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540471","17.503","0.004","8.0333","0.0016","21.133","0.004","90","","90","","90","","2971.4","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br N -","- C17 H18 Br N -","- C136 H144 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.2594","0.105","","","0.2872","0.3808","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540472","18.368","0.004","9.0221","0.0018","23.995","0.005","90","","102.82","0.03","90","","3877.3","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C184 H176 Br8 N8 O8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.1604","0.0589","","","0.1008","0.1257","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540473","16.319","0.003","8.0724","0.0016","24.455","0.005","90","","90","","90","","3221.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N -","- C18 H20 Br N -","- C144 H160 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.173","0.073","","","0.1453","0.182","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540474","5.7109","0.0015","12.738","0.003","28.186","0.005","90","","90.021","0.001","90","","2050.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Br N O -","- C24 H24 Br N O -","- C96 H96 Br4 N4 O4 -","4","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.1661","0.0816","","","0.2197","0.276","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540485","10.278","0.002","15.524","0.004","18.474","0.004","90","","90","","90","","2947.6","1.1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0372","0.0363","","","0.1018","0.1027","","","","","","1.06","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540486","8.338","0.004","13.576","0.006","14.319","0.007","81.992","0.015","83.829","0.016","75.466","0.016","1549.2","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H45 F6 O3 P3 Pd -","- C25 H45 F6 O3 P3 Pd -","- C50 H90 F12 O6 P6 Pd2 -","2","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0997","0.0879","","","0.141","0.1469","","","","","","1.229","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540487","8.2128","0.0013","22.725","0.004","20.504","0.004","90","","100.299","0.0019","90","","3765.1","1.2","93","","93","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C124 H204 Cl8 F24 N4 O12 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0269","0.0256","","","0.0569","0.0581","","","","","","1.032","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540488","11.521","0.003","16.475","0.004","22.564","0.006","90","","99.836","0.004","90","","4219.9","1.9","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cl5 F6 O5 P3 Pd -","- C35 H47 Cl5 F6 O5 P3 Pd -","- C140 H188 Cl20 F24 O20 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0614","0.0572","","","0.1488","0.1522","","","","","","1.094","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540489","14.361","0.003","22.678","0.005","25.532","0.006","90","","90","","90","","8315","3","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H44 F12 N O3 P3 Pd -","- C38 H44 F12 N O3 P3 Pd -","- C304 H352 F96 N8 O24 P24 Pd8 -","8","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.09","0.083","","","0.1731","0.177","","","","","","1.306","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540492","8.2586","0.0009","15.8638","0.0017","9.4209","0.001","90","","113.19","0.001","90","","1134.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Fe2(C2O4)3](H2O)6","","","- C10 H26 Fe2 N2 O18 -","- C10 H26 Fe2 N2 O18 -","- C20 H52 Fe4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.71069","MoKα","","0.0205","0.0196","","","0.0529","0.0535","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540493","8.292","0.002","15.688","0.004","9.38","0.003","90","","114.8","0.001","90","","1107.7","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Mg2(C2O4)3](H2O)6","","","- C10 H26 Mg2 N2 O18 -","- C10 Mg2 N2 O18 -","- C20 Mg4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.7107","MoKα","","0.0839","0.0613","","","0.198","0.2502","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540494","7.3879","0.0004","15.852","0.001","41.261","0.003","90","","90.675","0.003","90","","4831.9","0.5","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5Me-[5]CMP","","- C35 H30 -","- C35 H30 -","- C280 H240 -","8","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0539","0.0494","","","0.1236","0.1274","","","","","","1.097","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540495","18.861","0.011","18.861","0.011","7.446","0.005","90","","90","","120","","2294","2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","6Me-[6]CMP","","- C44 H39 N -","- C44 H39.0001 N -","- C132 H117 N3 -","3","0.166667","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0725","0.0517","","","0.1287","0.1494","","","","","","1.078","","","","has coordinates,has disorder","175897","2020-10-21","18:00:00",""
"1540496","29.026","0.006","7.501","0.0015","33.242","0.007","90","","104.96","0.03","90","","6992","3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","7Me-[7]CMP","","- C49 H42 -","- C49 H42 -","- C392 H336 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","0.75","synchrotron","","0.0919","0.072","","","0.1942","0.2118","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540497","14.3269","0.0011","17.0916","0.0012","42.481","0.003","90","","90","","90","","10402.3","1.3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8Me-[8]CMP","","- C62.9 H62.9 Cl2.71 -","- C62.904 H62.904 Cl2.712 -","- C503.232 H503.232 Cl21.696 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0675","0.0618","","","0.1835","0.1884","","","","","","1.028","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540498","22.263","0.002","7.4477","0.0008","28.978","0.003","90","","109.502","0.003","90","","4529.1","0.8","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9Me-[9]CMP","","- C63 H54 -","- C63 H54 -","- C252 H216 -","4","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0604","0.0534","","","0.1502","0.1562","","","","","","1.033","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540499","16.2912","0.0016","15.2859","0.0017","43.96","0.004","90","","90","","90","","10947.2","1.9","93","","93","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","3Me-[6]CMP","","- C39 H30 -","- C39 H30 -","- C624 H480 -","16","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.037","0.0343","","","0.0904","0.0926","","","","","","1.05","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540500","6.182","0.005","8.842","0.007","26.31","0.02","90","","90","","90","","1438","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C60 H56 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro","Chiral Brønsted acid-catalyzed enantioselective Friedel‒Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ","Chem. Sci.","2016","7","2","1057","","10.1039/C5SC03175C","","","0.71075","MoKα","","0.0322","0.0308","","","0.0748","0.076","","","","","","1.07","","","","has coordinates","175909","2020-10-21","18:00:00",""
"1540515","14.501","0.004","20.18","0.006","22.027","0.007","62.892","0.004","84.149","0.004","77.27","0.004","5597","3","110.15","","110.15","","","","","","","","","3","P -1","-P 1","2","","6,9-dimethyl-16-(1-octylnonyl)-16H-dinaphtho[1,2-b:2',1'-h]-carbazole","","- C47 H55 N -","- C47 H55 N -","- C282 H330 N6 -","6","3","","Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei","Thermodynamic synthesis of solution processable ladder polymers","Chem. Sci.","2016","7","2","881","","10.1039/C5SC02385H","","","0.71073","MoKα","","0.1331","0.0916","","","0.2314","0.2748","","","","","","1.14","","","","has coordinates,has disorder","175907","2020-10-21","18:00:00",""
"1540516","10.3672","0.0014","15.451","0.002","17.504","0.002","84.827","0.006","78.441","0.005","86.992","0.006","2734.1","0.6","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 B Cl3 F6 N2 O5 -","- C24 H18 B Cl3 F6 N2 O5 -","- C96 H72 B4 Cl12 F24 N8 O20 -","4","2","","Ishihara, Kazuaki; Lu, Yanhui","Boronic acid‒DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines","Chem. Sci.","2016","7","2","1276","","10.1039/C5SC03761A","","","0.71075","MoKα","","0.06","0.0422","","","0.1116","0.1186","","","","","","1.037","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540517","11.74","0.005","21.882","0.009","28.231","0.011","90","","92.244","0.008","90","","7247","5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl2 F N5 -","- C45 H26 Cl2 F N5 -","- C360 H208 Cl16 F8 N40 -","8","2","","Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo","Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films","Chem. Sci.","2016","7","2","1233","","10.1039/C5SC03245H","","","0.71073","MoKα","","0.2311","0.2184","","","0.5118","0.5154","","","","","","3.075","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1540518","9.568","0.004","14.645","0.004","21.564","0.006","90","","90","","90","","3021.6","1.7","93","","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 N O Si -","- C38 H35 N O Si -","- C152 H140 N4 O4 Si4 -","4","1","","Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko","Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones","Chem. Sci.","2016","7","2","1205","","10.1039/C5SC03767K","","","1.54187","CuKα","","0.0735","0.0721","","","0.1856","0.1881","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540519","6.7057","0.0004","9.395","0.0005","10.2135","0.0007","75.517","0.004","77.083","0.005","71.249","0.003","582.7","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0558","0.0503","","","0.1284","0.1338","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540520","6.1837","0.0006","9.106","0.0005","11.6714","0.0006","67.24","0.005","76.721","0.006","79.135","0.006","586.18","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.5418","CuKα","","0.0631","0.0611","","","0.1658","0.1693","","","","","","0.928","","","","has coordinates","175911","2020-10-21","18:00:00",""
"1540521","5.4552","0.0002","9.113","0.0003","24.9685","0.0008","80.515","0.002","88.025","0.002","77.197","0.002","1193.85","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C56 H64 O4 S4 -","2","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0416","0.036","","","0.0987","0.1033","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540522","11.2121","0.0004","10.8647","0.0002","19.8947","0.0004","90","","92.346","0.002","90","","2421.46","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C112 H128 O8 S8 -","4","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0632","0.0417","","","0.0976","0.108","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540523","21.1876","0.0007","4.6865","0.0002","20.8975","0.0008","90","","91.004","0.002","90","","2074.71","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0625","0.0509","","","0.1364","0.1451","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540531","16.151","0.003","9.5824","0.0019","16.403","0.003","90","","111.38","0.03","90","","2363.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl N O P Pd -","- C25 H29 Cl N O P Pd -","- C100 H116 Cl4 N4 O4 P4 Pd4 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.0312","0.0291","","","0.0802","0.0818","","","","","","1.043","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540532","35.188","0.007","7.4837","0.0015","16.526","0.003","90","","98.87","0.03","90","","4299.9","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N O5 -","- C47 H65 N O5 -","- C188 H260 N4 O20 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.1218","0.0992","","","0.2153","0.2303","","","","","","1.051","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540538","34.19","0.004","32.89","0.004","44.013","0.005","90","","110.32","0.003","90","","46413","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C1202 H1152 Cl36 Mn96 N192 O448 -","8","2","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.2135","0.074","","","0.1617","0.1886","","","","","","0.624","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540539","16.0232","0.0017","41.093","0.004","13.0506","0.0014","90","","110.908","0.002","90","","8027.2","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H86 Mn6 N10 O26 -","- C60 H68 Mn6 N8 O24 -","- C240 H272 Mn24 N32 O96 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.065","0.046","","","0.1276","0.1337","","","","","","1.08","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540540","16.7797","0.0018","16.9615","0.0018","20.538","0.004","93.849","0.003","105.068","0.003","116.263","0.002","4948.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H98 Cl10 Mn6 N10 O32 -","- C68 H70 Cl2 Mn6 N10 O30 -","- C136 H140 Cl4 Mn12 N20 O60 -","2","1","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0937","0.0732","","","0.2028","0.2163","","","","","","1.112","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540541","42.112","0.003","26.498","0.0016","30.5334","0.0018","90","","127.707","0.001","90","","26956","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C206 H252 Cl44 Mn12 N24 O48 -","- C188.6 H217.8 Cl8 Mn12 N24 O56 -","- C754.4 H871.2 Cl32 Mn48 N96 O224 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0845","0.0511","","","0.1321","0.1411","","","","","","1.001","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540542","12.4983","0.0008","12.6057","0.0009","18.1384","0.0012","98.507","0.002","92.517","0.0019","95.084","0.0019","2810.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H94 Au B F4 N2 O3 -","- C58 H94 Au B F4 N2 O3 -","- C116 H188 Au2 B2 F8 N4 O6 -","2","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0793","0.0671","","","0.1527","0.1577","","","","","","1.212","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540543","20.0066","0.0006","16.2975","0.0005","20.6068","0.0006","90","","119.023","0.0014","90","","5875.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H98 Au N2 O3.5 -","- C46 H70 Au N2 -","- C184 H280 Au4 N8 -","4","0.5","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0566","0.0474","","","0.1178","0.1209","","","","","","1.154","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540544","15.393","0.004","14.569","0.004","24.605","0.006","90","","106.993","0.005","90","","5277","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Au B Cl4 F4 N2 -","- C50 H74 Au B Cl4 F4 N2 -","- C200 H296 Au4 B4 Cl16 F16 N8 -","4","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.1203","0.0499","","","0.0979","0.1179","","","","","","1.007","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540545","9.726","0.005","17.928","0.009","17.689","0.009","90","","90.136","0.008","90","","3084","3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Cl Mg N6 -","- C27 H43 B Cl Mg N6 -","- C108 H172 B4 Cl4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0667","0.0541","","","0.1405","0.1531","","","","","","1.048","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540546","9.422","0.003","30.397","0.009","9.544","0.003","90","","98.992","0.004","90","","2699.8","1.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B F Mg N6 -","- C24 H40 B F Mg N6 -","- C96 H160 B4 F4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0696","0.0507","","","0.1234","0.1336","","","","","","1.036","","","","has coordinates,has disorder","175925","2020-10-21","18:00:00",""
"1540547","10.469","0.003","16.987","0.005","16.162","0.005","90","","91.359","0.004","90","","2873.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B I Mg N6 -","- C24 H40 B I Mg N6 -","- C96 H160 B4 I4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.055","0.0387","","","0.0927","0.1012","","","","","","1.032","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540548","9.724","0.004","18.118","0.007","17.751","0.006","90","","90.132","0.006","90","","3127","2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Br Mg N6 -","- C27 H43 B Br Mg N6 -","- C108 H172 B4 Br4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.088","0.0653","","","0.171","0.1845","","","","","","1.076","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540549","19.431","0.004","22.435","0.005","28.802","0.006","81.86","0.03","81.6","0.03","75.35","0.03","11945","5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C202 H191 Cl12 N41 O70 Zn9 -","- C202 H179 Cl12 N41 O70 Zn9 -","- C404 H358 Cl24 N82 O140 Zn18 -","2","1","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","0.71073","MoKα","","0.1271","0.0748","","","0.1885","0.2252","","","","","","1.027","","","","has coordinates,has disorder","170376","2020-10-21","18:00:00",""
"1540550","15.8416","0.0011","55.356","0.004","33.875","0.0019","90","","90.229","0.003","90","","29706","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C222 H163 F60 N41 O62 S22 Zn9 -","- C213 H163 F33 N36.5 O44 S13 Zn9 -","- C852 H652 F132 N146 O176 S52 Zn36 -","4","1","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","0.6889","synchrotron","","0.1996","0.1869","","","0.4455","0.4548","","","","","","1.374","","","","has coordinates,has disorder","170376","2020-10-21","18:00:00",""
"1540551","36.8","0.017","36.8","0.017","35.22","0.02","90","","90","","120","","41306","4","100","2","100","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C202 H146 F40 N62 O66 S22 Zn9 -","- C187 H146 F21 N32.5 O32 S7 Zn9 -","- C1122 H876 F126 N195 O192 S42 Zn54 -","6","0.5","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","0.6889","synchrotron","","0.1138","0.0937","","","0.2471","0.2655","","","","","","1.071","","","","has coordinates,has disorder","208253","2020-10-21","18:00:00",""
"1540552","38.4811","0.0016","22.233","0.0009","33.8318","0.0014","90","","115.636","0.001","90","","26095.5","1.9","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C198 H149 F48 N39 O64 Re4 S16 Zn9 -","- C183.4 H149 F4.2 N31.7 O33.85 Re2.94 S1.4 Zn9 -","- C733.6 H596 F16.8 N126.8 O135.4 Re11.76 S5.6 Zn36 -","4","1","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","1.54178","CuKα","","0.1103","0.0786","","","0.2314","0.2483","","","","","","1.072","","","","has coordinates,has disorder","170376","2020-10-21","18:00:00",""
"1540553","6.7708","0.0003","15.0499","0.0006","18.2635","0.0007","90","","98.942","0.004","90","","1838.43","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-methylbut-3-en-1-yl)-N-(4-nitrobenzenesulfonyl)-2-methoxyaniline","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Oda, Susumu; Franke, Jana; Krische, Michael J.","Diene hydroaminomethylation via ruthenium-catalyzed C‒C bond forming transfer hydrogenation: beyond carbonylation","Chem. Sci.","2016","7","1","136","","10.1039/C5SC03854E","","","1.54184","CuKα","","0.043","0.0406","","","0.1088","0.1112","","","","","","1.05","","","","has coordinates","175938","2020-10-21","18:00:00",""
"1540554","10.311","0.003","18.895","0.005","20.77","0.006","69.618","0.007","85.946","0.007","76.898","0.006","3694.3","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2319","0.112","","","0.3496","0.4207","","","","","","1.12","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540555","10.5582","0.0011","19.131","0.002","20.915","0.002","68.892","0.002","85.501","0.003","77.175","0.002","3842.8","0.7","394","","394","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2774","0.096","","","0.266","0.3982","","","","","","0.894","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540556","12.1401","0.0014","36.975","0.004","17.688","0.002","90","","102.611","0.002","90","","7748.2","1.5","403","","403","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B P -","- C40 H56 B P -","- C320 H448 B8 P8 -","8","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.443","0.1668","","","0.4463","0.5654","","","","","","1.123","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540557","10.1868","0.0007","18.7141","0.0013","20.7566","0.0015","70.748","0.002","86.972","0.002","76.006","0.002","3623.3","0.4","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2179","0.0888","","","0.1966","0.2639","","","","","","1.004","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540560","12.9311","0.0005","22.2426","0.0007","23.2785","0.0008","90","","102.771","0.004","90","","6529.8","0.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C258 H216 Cl32 I12 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0518","0.0419","","","0.103","0.1074","","","","","","1.067","","","","has coordinates,has disorder","177721","2020-10-21","18:00:00",""
"1540561","13.0217","0.0003","22.2992","0.0005","23.1406","0.0005","90","","102.857","0.002","90","","6551","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H53 Br8 Cl2 O2 Os P3 -","- C64 H53 Br8 Cl2 O2 Os P3 -","- C256 H212 Br32 Cl8 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0937","0.067","","","0.1555","0.1669","","","","","","1.062","","","","has coordinates,has disorder","211178","2020-10-21","18:00:00",""
"1540562","10.47242","0.00008","19.20658","0.00014","10.61743","0.00009","90","","94.0778","0.0007","90","","2130.18","0.03","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Dy N2 O P2 Si2 -","- C42 H53 Dy N2 O P2 Si2 -","- C84 H106 Dy2 N4 O2 P4 Si4 -","2","0.5","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0197","0.0193","","","0.0494","0.0496","","","","","","1.043","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540563","31.667","0.003","25.7439","0.0013","20.938","0.002","90","","132.786","0.016","90","","12527","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Y -","- C62 H77 N4 P4 Si4 Y -","- C496 H616 N32 P32 Si32 Y8 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0683","0.06","","","0.1668","0.1764","","","","","","1.02","","","","has coordinates","175935","2020-10-21","18:00:00",""
"1540564","31.7145","0.0011","25.723","0.0004","20.9468","0.0007","90","","132.69","0.006","90","","12560.4","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 Dy N4 P4 Si4 -","- C62 H77 Dy N4 P4 Si4 -","- C496 H616 Dy8 N32 P32 Si32 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","","1.54184","CuKα","","0.0257","0.0245","","","0.064","0.065","","","","","","1.037","","","","has coordinates","175935","2020-10-21","18:00:00",""
"1540565","15.1169","0.0005","15.282","0.0005","21.1716","0.0005","98.667","0.002","94.975","0.002","93.716","0.003","4801.8","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Y -","- C90 H132 K N4 O10 P4 Si4 Y -","- C180 H264 K2 N8 O20 P8 Si8 Y2 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.086","0.0734","","","0.1877","0.2045","","","","","","1.031","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540566","15.1483","0.0007","15.3041","0.0005","21.1587","0.0007","98.844","0.003","95.182","0.003","93.576","0.003","4812.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 Dy K N4 O10 P4 Si4 -","- C90 H132 Dy K N4 O10 P4 Si4 -","- C180 H264 Dy2 K2 N8 O20 P8 Si8 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.1057","0.0791","","","0.1888","0.2143","","","","","","1.023","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540567","16.174","0.003","17.746","0.004","17.83","0.004","65","0.03","64","0.03","81","0.03","4166","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Au25(PET)18 in the neutral charge state","","- C148 H170 Au25 O2 S36 -","- C158 H180 Au25 S18 -","- C158 H180 Au25 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0891","0.0387","","","0.0826","0.1095","","","","","","1.031","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540568","16.8533","0.0007","17.775","0.0008","18.2364","0.0008","93.765","0.002","114.867","0.002","112.147","0.002","4424.4","0.4","120","2","120","2","","","","","","","N/A","6","P -1","-P 1","2","","Au25(PET)18 +1","","- C144 H180 Au25 F6 P S18 -","- C144 H198 Au25 F12 P2 S18 -","- C144 H198 Au25 F12 P2 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0769","0.0482","","","0.1268","0.1501","","","","","","1.074","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540579","7.9683","0.0002","12.0495","0.0003","25.4584","0.0005","90","","90","","90","","2444.36","0.1","118","2","118","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","O-(4-nitrobenzyl)-(R)-1k","","- C26 H29 F3 N2 O5 -","- C26 H29 F3 N2 O5 -","- C104 H116 F12 N8 O20 -","4","1","","Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu","Chemo- and regioselective oxygenation of C(sp3)‒H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen","Chem. Sci.","2016","7","3","1904","","10.1039/C5SC04476F","","","1.54187","CuKα","","0.1456","0.0905","","","0.2223","0.3199","","","","","","1.111","","","","has coordinates","177725","2020-10-21","18:00:00",""
"1540581","6.1983","0.0001","9.7636","0.0003","17.0724","0.0004","75.866","0.002","84.107","0.001","87.755","0.001","996.5","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C46 H68 N4 O2 -","2","1","","Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F.","Dichotomous mechanistic behavior in Narasaka‒Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals","Chem. Sci.","2016","7","2","1508","","10.1039/C5SC04037J","","","0.71073","MoKα","","0.0429","0.037","","","0.0941","0.0985","","","","","","1.041","","","","has coordinates","175894","2020-10-21","18:00:00",""
"1540585","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing","Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct","Chem. Sci.","2016","7","3","2331","","10.1039/C5SC04070A","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1540586","7.7762","0.0003","19.2554","0.0008","7.6287","0.0003","90","","98.728","0.002","90","","1129.05","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 I N -","- C11 H7 F3 I N -","- C44 H28 F12 I4 N4 -","4","1","","Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis","Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex","Chem. Sci.","2016","7","3","2030","","10.1039/C5SC03636D","","","0.71073","MoKα","","0.0323","0.025","","","0.0516","0.0545","","","","","","1.046","","","","has coordinates","177726","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",""
"1540655","20.447","0.0001","20.447","0.0001","20.447","0.0001","90","","90","","90","","8548.48","0.07","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[Cp2Co]3[In3(BTC)4]","","- C22 H14 Co In O8 -","- C22 H14 Co In O8 -","- C264 H168 Co12 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","","0.6889","synchrotron","","0.0362","0.0349","","","0.1184","0.1197","","","","","","1.188","","","","has coordinates,has disorder","177716","2020-10-21","18:00:00",""
"1540656","20.4031","0.0002","20.4031","0.0002","20.4031","0.0002","90","","90","","90","","8493.53","0.14","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[(Cp2Co)x(TEA)3-x][In3(BTC)4]","","- C12 H4 Co0.28 In O8 -","- C12 H4 Co0.282 In O8 -","- C144 H48 Co3.384 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","x-ray","0.71073","MoKα","","0.0651","0.0627","","","0.1998","0.2013","","","","","","1.243","","","","has coordinates","177716","2020-10-21","18:00:00",""
"1540657","38.0429","0.0009","5.96446","0.00015","19.5829","0.0005","90","","120.924","0.0007","90","","3811.83","0.17","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 F2 N O5 S -","- C17 H23 F2 N O5 S -","- C136 H184 F16 N8 O40 S8 -","8","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0484","","","","0.1951","","","","","","1.411","","","","has coordinates","177719","2020-10-21","18:00:00",""
"1540658","8.1328","0.0003","19.0087","0.0006","10.727","0.0004","90","","104.653","0.0009","90","","1604.39","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F4 O5 S -","- C14 H14 F4 O5 S -","- C56 H56 F16 O20 S4 -","4","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0408","","","","0.1568","","","","","","1.268","","","","has coordinates","177719","2020-10-21","18:00:00",""
"1540659","56.36","0.02","9.525","0.003","42.145","0.018","90","","119.716","0.008","90","","19649","13","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104.2 H58 F20 N8 O1.45 S4 -","- C104.2 H58 F20 N8 O1.45 S4 -","- C833.6 H464 F160 N64 O11.6 S32 -","8","1","","Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho","Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit","Chem. Sci.","2016","7","3","2239","","10.1039/C5SC04263A","","","1.54187","CuKα","","0.2087","0.0988","","","0.2639","0.3403","","","","","","1.066","","","","has coordinates,has disorder","177724","2020-10-21","18:00:00",""
"1540660","10.2568","0.0009","19.4457","0.0018","15.3511","0.0014","90","","107.575","0.0012","90","","2918.9","0.5","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 Ni O2 -","- C32 H44 N2 Ni O2 -","- C128 H176 N8 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0505","0.0337","","","0.0731","0.0794","","","","","","1.033","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540661","15.7714","0.001","17.0164","0.0011","18.6084","0.0012","90","","90","","90","","4994","0.6","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 N3 Ni O -","- C56 H73 N3 Ni O -","- C224 H292 N12 Ni4 O4 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0531","0.0387","","","0.0789","0.0839","","","","","","1.024","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540662","10.3735","0.0005","18.252","0.0008","24.6774","0.0011","90","","97.1921","0.0006","90","","4635.6","0.4","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 N3 Ni O2 -","- C54 H65 N3 Ni O2 -","- C216 H260 N12 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0384","0.0312","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540680","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1824","0.1485","","","0.3876","0.4104","","","","","","1.483","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540681","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C78 H48 Cl12 Co N6 S2 -","- C156 H96 Cl24 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2422","0.2181","","","0.5409","0.5584","","","","","","2.434","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540682","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.0738","0.0697","","","0.2019","0.2056","","","","","","1.073","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540683","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C67 H32 Co N6 S6 -","- C134 H64 Co2 N12 S12 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1426","0.1372","","","0.3916","0.4001","","","","","","1.572","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540684","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C336 H192 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1581","0.0872","","","0.2189","0.2372","","","","","","1.054","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540685","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C70 H56 Co N6 S2 -","- C560 H448 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2071","0.1359","","","0.3739","0.4006","","","","","","1.207","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540686","11.653","0.004","13.567","0.006","13.662","0.006","94.5","0.02","94.78","0.02","111.12","0.02","1994.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H64 Co N14 S2 -","- C42 H24 Co N6 S2 -","- C42 H24 Co N6 S2 -","1","0.5","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2098","0.1702","","","0.383","0.4078","","","","","","1.884","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540695","11.045","0.002","12.916","0.003","14.84","0.003","90","","111.48","0.03","90","","1970","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4-fluoro-3-oxoisochroman-4-yl)-N-(phenylsulfonyl)benzenesulfonamide","","- C21 H16 F N O6 S2 -","- C21 H16 F N O6 S2 -","- C84 H64 F4 N4 O24 S8 -","4","1","","Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang","Aminofluorination: transition-metal-free N‒F bond insertion into diazocarbonyl compounds","Chem. Sci.","2016","7","3","1786","","10.1039/C5SC04237B","","","0.71073","MoKα","","0.0945","0.0556","","","0.1238","0.1473","","","","","","1.003","","","","has coordinates","177717","2020-10-21","18:00:00",""
"1540697","8.1717","0.0003","24.8088","0.001","11.6477","0.0005","90","","94.354","0.004","90","","2354.52","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dy","","- C27 H34 As Dy -","- C27 H34 As Dy -","- C108 H136 As4 Dy4 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0302","0.0252","","","0.0516","0.0545","","","","","","1.05","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540698","14.9242","0.0003","18.6105","0.0004","23.7155","0.0005","90","","103.461","0.002","90","","6406","0.2","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 As3 Dy3 -","- C70 H83 As3 Dy3 -","- C280 H332 As12 Dy12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.043","0.0384","","","0.0894","0.1035","","","","","","1.117","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540699","22.451","0.0004","15.8357","0.0003","28.0477","0.0005","90","","95.47","0.002","90","","9926.3","0.3","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Dy","","- C99 H147 As3 Dy3 Li3 O9 -","- C99 H147 As3 Dy3 Li3 O9 -","- C396 H588 As12 Dy12 Li12 O36 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0374","0.0303","","","0.0622","0.0648","","","","","","1.102","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540700","14.8845","0.0013","18.4953","0.0014","23.4214","0.0018","90","","103.098","0.008","90","","6280","0.9","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Dy","","- C70 H83 Dy3 Se3 -","- C70 H83 Dy3 Se3 -","- C280 H332 Dy12 Se12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0512","0.0401","","","0.0806","0.087","","","","","","1.021","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540701","14.9029","0.0001","18.4253","0.0001","23.423","0.0002","90","","103.035","0.001","90","","6266","0.08","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Y","","- C70 H83 Se3 Y3 -","- C70 H83 Se3 Y3 -","- C280 H332 Se12 Y12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","1.54178","CuKα","","0.0225","0.0224","","","0.0582","0.0582","","","","","","1.076","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540707","24.4634","0.0019","6.1982","0.0004","25.443","0.002","90","","90","","90","","3857.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","hd_bam","hd_bam_0ma","","- C21 H16 F2 N4 O4 -","- C21 H16 F2 N4 O4 -","- C168 H128 F16 N32 O32 -","8","1","","Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko","Catalytic activation of a single C‒F bond in trifluoromethyl arenes","Chem. Sci.","2016","7","1","505","","10.1039/C5SC03415A","","","0.71073","MoKα","","0.1047","0.0487","","","0.0925","0.1112","","","","","","1.003","","","","has coordinates","171583","2020-10-21","18:00:00",""
"1540708","23.597","0.003","14.073","0.002","19.874","0.003","90","","93.283","0.002","90","","6588.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cs3 O6 -","- C32 H38 Cs3 O6 -","- C256 H304 Cs24 O48 -","8","1","","Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Supramolecular trap for a transient corannulene trianion","Chem. Sci.","2016","7","3","1954","","10.1039/C5SC04385A","","","0.71073","Mo-Kα","","0.0598","0.0449","","","0.0978","0.1052","","","","","","1.09","","","","has coordinates","177723","2020-10-21","18:00:00",""
"1540712","12.721","0.003","26.545","0.005","18.27","0.004","90","","107.2","0.03","90","","5893","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 B2 F24 P2 Rh -","- C57 H49 B2 F24 P2 Rh -","- C228 H196 B8 F96 P8 Rh4 -","4","1","","Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan","Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies","Chem. Sci.","2015","","","","","10.1039/C5SC04150C","","","0.71073","MoKα","","0.1166","0.0499","","","0.1016","0.1224","","","","","","0.989","","","","has coordinates,has disorder","171666","2020-10-21","18:00:00",""
"1540713","13.155","0.003","13.139","0.003","35.677","0.007","90","","95.41","0.03","90","","6139","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H61 B2 F24 P2 Rh -","- C57 H61 B2 F24 P2 Rh -","- C228 H244 B8 F96 P8 Rh4 -","4","1","","Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan","Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies","Chem. Sci.","2015","","","","","10.1039/C5SC04150C","","","0.71073","MoKα","","0.182","0.0625","","","0.1411","0.1869","","","","","","0.853","","","","has coordinates,has disorder","171666","2020-10-21","18:00:00",""
"1540714","12.494","0.003","13.356","0.003","18.152","0.004","102.66","0.03","92.36","0.03","90.85","0.03","2952","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H57 B2 F24 P2 Rh -","- C53 H57 B2 F24 P2 Rh -","- C106 H114 B4 F48 P4 Rh2 -","2","1","","Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan","Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies","Chem. Sci.","2015","","","","","10.1039/C5SC04150C","","","0.71073","MoKα","","0.0917","0.0571","","","0.1461","0.1738","","","","","","0.867","","","","has coordinates,has disorder","171666","2020-10-21","18:00:00",""
"1540715","28.4784","0.0007","28.4784","0.0007","13.6334","0.0004","90","","90","","90","","11057","0.5","200.01","0.1","200.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","Sr-NDI","","- C44 H44 N4 O23 Sr2 -","- C44 H44 N4 O23 Sr2 -","- C352 H352 N32 O184 Sr16 -","8","","","Garai, Bikash; Mallick, Arijit; Banerjee, Rahul","Photochromic metal‒organic frameworks for inkless and erasable printing","Chem. Sci.","2016","7","3","2195","","10.1039/C5SC04450B","","x-ray","0.71073","MoKα","","0.181","0.1393","","","0.3624","0.3919","","","","","","0.93","","","","has coordinates","177715","2020-10-21","18:00:00",""
"1540716","7.645","0.005","11.246","0.005","12.326","0.005","95.39","0.005","105.282","0.005","93.459","0.005","1013.7","0.9","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","DSF","","- C17 H19 F6 N2 O P S2 -","- C17 H19 F6 N2 O P S2 -","- C34 H38 F12 N4 O2 P2 S4 -","2","1","","Li, Dandan; Tian, Xiaohe; Wang, Aidong; Guan, Lijuan; Zheng, Jun; Li, Fei; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Nucleic acid-selective light-up fluorescent biosensors for ratiometric two-photon imaging of the viscosity of live cells and tissues","Chem. Sci.","2016","7","3","2257","","10.1039/C5SC03956H","","","0.71069","MoKα","","0.0943","0.0733","","","0.2026","0.2238","","","","","","1.042","","","","has coordinates","177728","2020-10-21","18:00:00",""
"1540719","9.617","0.011","16.2","0.019","37.85","0.05","90","","90","","90","","5897","12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","chemosensor S2","","- C61 H44 Cl3 N7 O11 -","- C61 H44 Cl3 N7 O11 -","- C244 H176 Cl12 N28 O44 -","4","1","","Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel","Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors","Chem. Sci.","2016","7","3","2016","","10.1039/C5SC04235F","","","0.71075","MoKα","","0.2332","0.1267","","","0.2376","0.2814","","","","","","1.369","","","","has coordinates","177727","2020-10-21","18:00:00",""
"1540747","15.0884","0.0011","31.4527","0.0015","18.2241","0.0014","90","","104.352","0.007","90","","8378.7","1","100","0.3","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 -","- C75.657 H95.657 B2 Cl10.971 F8 N8 Ni2 -","- C302.628 H382.628 B8 Cl43.884 F32 N32 Ni8 -","4","1","","Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin","Cationic nickel porphyrinoids with unexpected reactivity","Chem. Sci.","2016","7","1","583","","10.1039/C5SC03663A","","","1.54184","CuKα","","0.0946","0.066","","","0.165","0.1844","","","","","","1.028","","","","has coordinates,has disorder","171863","2020-10-21","18:00:00",""
"1540748","9.666","0.0004","17.7362","0.0008","17.9259","0.0007","90","","104.302","0.002","90","","2977.9","0.2","100.08","","100.08","","","","","","","","","6","P 1 n 1","P -2yac","7","[(18-crown-6)K]2[Fe(C3S5)2]","","","- C42 H72 Fe K2 O15 S10 -","- C42 H72 Fe K2 O15 S10 -","- C84 H144 Fe2 K4 O30 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0425","0.0329","","","0.0852","0.1227","","","","","","1.158","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1540749","9.5532","0.0003","16.9392","0.0006","19.2199","0.0007","64.7735","0.0007","78.6184","0.0008","78.0782","0.0008","2731.85","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","(Ph4P)2[Fe(dmit)2](MeCN)","","","- C56 H43 Fe N P2 S10 -","- C56 H43 Fe N P2 S10 -","- C112 H86 Fe2 N2 P4 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.033","0.0252","","","0.0574","0.0611","","","","","","1.033","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1540750","8.573","0.0005","32.0602","0.0017","17.6411","0.0009","90","","98.509","0.003","90","","4795.3","0.5","100","2","100.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Bu4N)2[Fe(C3S5)2]","","","- C38 H72 Fe N2 S10 -","- C38 H72 Fe N2 S10 -","- C152 H288 Fe4 N8 S40 -","4","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0451","0.0334","","","0.0772","0.0841","","","","","","1.094","","","","has coordinates","171864","2020-10-21","18:00:00",""
"1541883","7.2942","0.0011","12.3961","0.0018","13.909","0.002","90","","90","","90","","1257.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","","0.71073","MoKα","","0.0328","0.0308","","","0.0738","0.0751","","","","","","1.024","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541884","10.52245","0.00015","10.52245","0.00015","48.9522","0.0016","90","","90","","90","","5420.1","0.2","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H28 I N O9 -","- C24 H28 I N O9 -","- C192 H224 I8 N8 O72 -","8","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","x-ray","1.54184","CuKα","","0.0679","0.0614","","","0.1629","0.1685","","","","","","1.037","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541885","9.3038","0.0005","14.9607","0.0008","16.6489","0.0009","90","","91.195","0.002","90","","2316.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Au N O P -","- C23 H35 Au N O P -","- C92 H140 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0281","0.0203","","","0.04","0.0426","","","","","","1.023","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541886","10.7215","0.0007","13.536","0.0007","19.0499","0.0012","90","","90","","90","","2764.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Au N O P -","- C28 H43 Au N O P -","- C112 H172 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0378","0.0358","","","0.0658","0.0666","","","","","","1.321","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541887","9.1985","0.0007","15.0111","0.0011","16.6696","0.0013","90","","90.736","0.003","90","","2301.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Cu N O P -","- C23 H35 Cu N O P -","- C92 H140 Cu4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","1.54178","CuKα","","0.0261","0.0255","","","0.0684","0.0689","","","","","","1.05","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541888","23.2392","0.0006","23.2392","0.0006","27.9791","0.001","90","","90","","120","","13086","0.7","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C81 H129 Au3 N3 P -","- C81 H129 Au3 N3 P -","- C486 H774 Au18 N18 P6 -","6","0.333333","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0477","0.0384","","","0.0868","0.0899","","","","","","1.027","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541889","12.6627","0.0014","16.2794","0.0015","23.264","0.003","90","","98.409","0.003","90","","4744.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H79 Cu N5 O P -","- C49 H79 Cu N5 O P -","- C196 H316 Cu4 N20 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1331","0.0632","","","0.1133","0.1379","","","","","","1.029","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541890","9.4619","0.0004","13.4134","0.0006","16.9001","0.0008","90","","101.411","0.002","90","","2102.5","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Cu N2 O2 P -","- C46 H70 Cu N2 O2 P -","- C92 H140 Cu2 N4 O4 P2 -","2","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir–η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1097","0.0893","","","0.2022","0.2121","","","","","","1.249","","","warnings","has coordinates","297460","2025-01-24","09:27:02",""
"1541891","14.7478","0.0002","14.7478","0.0002","40.2121","0.001","90","","90","","90","","8746","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C46 H43 Au B F15 N O P -","- C46 H43 Au B F15 N O P -","- C368 H344 Au8 B8 F120 N8 O8 P8 -","8","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0593","0.0437","","","0.0894","0.0952","","","","","","1.131","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541892","26.7657","0.0013","16.5433","0.0013","21.479","0.0013","90","","107.104","0.003","90","","9090.1","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C384 H344 B8 Cu8 F120 N8 O8 P8 -","4","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0527","0.0347","","","0.0868","0.1059","","","","","","1.098","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541893","10.1044","0.0005","14.1614","0.0007","15.802","0.0007","111.476","0.004","93.948","0.004","104.766","0.004","2001.36","0.19","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","iPr(PDI)Co(PCO)","","- C42 H59 Co N3 O3 P -","- C42 H59 Co N3 O3 P -","- C84 H118 Co2 N6 O6 P2 -","2","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","x-ray","0.71073","MoKα","","0.0852","0.0712","","","0.1356","0.1417","","","","","","1.158","","","","has coordinates,has disorder","177722","2020-10-21","18:00:00",""
"1541894","13.7808","0.0013","12.3485","0.0016","16.5685","0.0019","90","","96.53","0.004","90","","2801.2","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(MePDI)IrCO]2(μ-P2)","[(MePDI)IrCO]2(μ-P2)","","- C30 H35 Ir N3 O2 P -","- C30 H35 Ir N3 O2 P -","- C120 H140 Ir4 N12 O8 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0511","0.0321","","","0.0459","0.0471","","","","","","1.937","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541896","14.1613","0.0012","21.6112","0.0018","15.3855","0.0013","90","","114.339","0.0011","90","","4290.1","0.6","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C160.2 H152.4 Cl8 Fe4 N40 O45.4 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.0902","0.0767","","","0.2215","0.2351","","","","","","1.05","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541897","15.717","0.003","20.127","0.003","24.672","0.004","90","","90.353","0.01","90","","7804","2","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1998","0.1521","","","0.3468","0.3892","","","","","","1.136","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541898","14.165","0.005","21.596","0.008","15.414","0.006","90","","114.29","0.004","90","","4298","3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C159 H150 Cl8 Fe4 N40 O45 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.107","0.0771","","","0.2095","0.2322","","","","","","1.229","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541899","15.679","0.012","20.102","0.015","24.601","0.018","90","","90.221","0.008","90","","7754","10","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1349","0.0696","","","0.1604","0.2093","","","","","","1.09","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541900","13.073","0.003","13.356","0.003","14.075","0.003","71.88","0.03","69.89","0.03","70.65","0.03","2122.8","1","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1147","0.0685","","","0.1821","0.2212","","","","","","1.045","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541901","15.7","0.003","20.035","0.004","24.638","0.005","90","","90.45","0.03","90","","7750","3","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1344","0.0809","","","0.1908","0.2456","","","","","","1.065","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1541902","13.0297","0.0008","13.2995","0.0009","14.0177","0.0009","71.801","0.005","69.822","0.004","70.752","0.004","2097.8","0.2","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1228","0.1052","","","0.2974","0.3116","","","","","","1.174","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541903","12.906","0.009","13.199","0.009","14.759","0.01","71.402","0.008","68.242","0.008","67.214","0.008","2107","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1252","0.0819","","","0.2314","0.2632","","","","","","1.033","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541904","13.085","0.006","13.381","0.006","14.139","0.007","72.092","0.006","69.882","0.007","70.219","0.006","2135.6","1.7","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1404","0.0911","","","0.2534","0.2849","","","","","","1.077","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541905","10.2264","0.0003","15.4589","0.0004","17.0819","0.0004","73.0848","0.0012","88.2081","0.0014","86.3652","0.0014","2578.2","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Al F6 N3 O2 -","- C59 H60 Al F6 N3 O2 -","- C118 H120 Al2 F12 N6 O4 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.0505","0.047","","","0.1258","0.1293","","","","","","1.02","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541906","11.2001","0.0002","12.4244","0.0002","18.0337","0.0003","101.41","0.0007","98.4568","0.0006","114.494","0.0007","2163.42","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 Al F3 N3 O -","- C51 H55 Al F3 N3 O -","- C102 H110 Al2 F6 N6 O2 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.047","0.0404","","","0.1088","0.1136","","","","","","1.05","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541915","11.4437","0.0011","8.9623","0.0009","29.228","0.003","90","","94.705","0.002","90","","2987.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 Co N2 O4 -","- C80 H56 Co N2 O4 -","- C160 H112 Co2 N4 O8 -","2","0.5","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.0944","0.0468","","","0.1013","0.1185","","","","","","0.987","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541916","17.249","0.003","16.9","0.003","22.44","0.004","90","","108.612","0.003","90","","6199.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H55 Cl3 Co N2 O4 -","- C81 H55 Cl3 Co N2 O4 -","- C324 H220 Cl12 Co4 N8 O16 -","4","1","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.155","0.0744","","","0.1382","0.1627","","","","","","0.943","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541917","18.9677","0.0016","19.9186","0.0017","31.739","0.003","90","","95.287","0.004","90","","11940.3","1.8","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","Pyrene tetralactic acid","","","- C92 H89 N O20 Zn2 -","- C92 H89 N O20 Zn2 -","- C368 H356 N4 O80 Zn8 -","4","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid","Chem. Sci.","2016","7","5","3085","","10.1039/C5SC03839A","","","0.71073","MoKα","","0.2034","0.0871","","","0.2191","0.2596","","","","","","0.801","","","","has coordinates","182627","2020-10-21","18:00:00",""
"1541930","18.2404","0.0007","22.7636","0.0007","14.3542","0.0005","90","","126.449","0.003","90","","4794.2","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","[Ni(ethylendiamine)3]3{V15Sb6O42(H2O)}*9H2O","'[Ni(C2H8N2)3]3{V15Sb6O42(H2O)}*9H2O'","","- C18 H92 N18 Ni3 O52 Sb6 V15 -","- C18 H72 N18 Ni3 O52 Sb6 V15 -","- C36 H144 N36 Ni6 O104 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0454","0.0385","","","0.0923","0.0951","","","","","","1.024","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541931","18.2302","0.0014","22.6142","0.0016","14.4067","0.0011","90","","126.36","0.007","90","","4783","0.8","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Co(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Co(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Co3 N18 O51 Sb6 V15 -","- C18 H72 Co3 N18 O51 Sb6 V15 -","- C36 H144 Co6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0533","0.0453","","","0.1149","0.1187","","","","","","1.045","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541932","18.1991","0.0004","22.626","0.0006","14.3614","0.0003","90","","126.193","0.001","90","","4772.5","0.2","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Fe(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Fe(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Fe3 N18 O51 Sb6 V15 -","- C18 H72 Fe3 N18 O51 Sb6 V15 -","- C36 H144 Fe6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0361","0.0324","","","0.0754","0.0768","","","","","","1.058","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541933","23.7437","0.0005","23.7437","0.0005","14.9586","0.0003","90","","90","","120","","7303.3","0.3","200","2","200","2","","","","","","","","7","P 3 2 1","P 3 2""","150","[Ni(ethylendiamine)3]3{V15Sb6O42}*xH2O","'[Ni(C2H8N2)3]3{V15Sb6O42}*xH2O'","","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C54 H216 N54 Ni9 O126 Sb18 V45 -","3","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0691","0.058","","","0.1369","0.1438","","","","","","0.987","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1542253","31.4049","0.0006","31.4049","0.0006","31.4049","0.0006","90","","90","","90","","30973.6","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 -","- C90.084 H96.168 Cl24.168 N12 O6.17 Pd6 -","- C720.672 H769.344 Cl193.344 N96 O49.36 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0595","","","","0.1548","","","","","","1.089","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542254","31.495","0.0007","31.495","0.0007","31.495","0.0007","90","","90","","90","","31241","1.2","97","","97","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.77 H103.38 Cl21.54 N12 O4.92 Pd6 -","- C88.77 H93.54 Cl21.54 N12 O4.93 Pd6 -","- C710.16 H748.32 Cl172.32 N96 O39.44 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0917","","","","0.2429","","","","","","1.045","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542255","31.3834","0.001","31.3834","0.001","31.3834","0.001","90","","90","","90","","30910.1","1.7","95","","95","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.81 H104.7 Cl21.61 N12 O5.54 Pd6 -","- C88.806 H93.612 Cl21.612 N12 O5.52 Pd6 -","- C710.448 H748.896 Cl172.896 N96 O44.16 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.084","","","","0.2381","","","","","","1.037","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542256","31.4527","0.0016","31.4527","0.0016","31.4527","0.0016","90","","90","","90","","31115","3","100","","100","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.28 H102.34 Cl20.56 N12 O4.89 Pd6 -","- C88.29 H92.58 Cl20.58 N12 O4.8899 Pd6 -","- C706.32 H740.64 Cl164.64 N96 O39.1192 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.094","","","","0.2416","","","","","","1.03","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542257","31.493","0.003","31.493","0.003","31.493","0.003","90","","90","","90","","31235","5","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.82 H106.67 Cl21.63 N12 O6.52 Pd6 -","- C88.818 H93.636 Cl21.636 N12 O6.51 Pd6 -","- C710.544 H749.088 Cl173.088 N96 O52.08 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0829","","","","0.2137","","","","","","1.047","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542258","31.3274","0.0006","31.3274","0.0006","31.3274","0.0006","90","","90","","90","","30744.9","1","97","","97","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C47.41 H49.41 Cl22.23 N6 O Pd3 -","- C47.41 H46.41 Cl22.23 N6 O Pd3 -","- C758.56 H742.56 Cl355.68 N96 O16 Pd48 -","16","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0629","","","","0.1823","","","","","","1.058","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542259","31.3922","0.0006","31.3922","0.0006","31.3922","0.0006","90","","90","","90","","30936.1","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.53 H106.99 Cl21.07 N12 O6.96 Pd6 -","- C88.53 H93.06 Cl21.06 N12 O6.97 Pd6 -","- C708.24 H744.48 Cl168.48 N96 O55.76 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0961","","","","0.2535","","","","","","1.024","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542260","31.3469","0.0008","31.3469","0.0008","31.3469","0.0008","90","","90","","90","","30802.3","1.4","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.34 H103.54 Cl20.68 N12 O5.43 Pd6 -","- C88.338 H92.676 Cl20.676 N12 O5.4299 Pd6 -","- C706.704 H741.408 Cl165.408 N96 O43.4392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0799","","","","0.212","","","","","","1.073","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542261","31.4043","0.0006","31.4043","0.0006","31.4043","0.0006","90","","90","","90","","30971.9","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 -","- C88.488 H92.976 Cl20.976 N12 O5.0998 Pd6 -","- C707.904 H743.808 Cl167.808 N96 O40.7984 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0835","","","","0.2102","","","","","","1.016","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542262","31.4477","0.0006","31.4477","0.0006","31.4477","0.0006","90","","90","","90","","31100.4","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 -","- C88.518 H93.036 Cl21.036 N12 O5.1299 Pd6 -","- C708.144 H744.288 Cl168.288 N96 O41.0392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0758","","","","0.1999","","","","","","1.07","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542263","15.9195","0.0004","13.7674","0.0003","17.3771","0.0004","90","","90","","90","","3808.54","0.15","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24.5 H17 Cl N O S0.5 -","- C24.5 H17 Cl N O S0.5 -","- C196 H136 Cl8 N8 O8 S4 -","8","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1459","0.1522","","","","","","1.056","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542264","8.1912","0.0003","20.1704","0.0006","18.0457","0.0006","90","","97.807","0.003","90","","2953.87","0.17","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 S3 -","- C36 H24 N2 O2 S3 -","- C144 H96 N8 O8 S12 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","1.54178","CuKα","","0.0543","0.0429","","","0.1103","0.1197","","","","","","1.017","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542265","19.365","0.004","12.947","0.003","13.257","0.003","90","","106.41","0.03","90","","3188.4","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 N2 O2 S2 -","- C42 H28 N2 O2 S2 -","- C168 H112 N8 O8 S8 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","0.71073","MoKα","","0.0682","0.0479","","","0.1133","0.1255","","","","","","1.052","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542271","11.3075","0.0007","17.5868","0.0011","20.908","0.0013","90","","90","","90","","4157.8","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 Cr N4 -","- C18 H34 Cr N4 -","- C144 H272 Cr8 N32 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0858","0.049","","","0.1197","0.1454","","","","","","1.044","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542272","13.565","0.0011","13.6133","0.0011","14.3228","0.0011","117.74","0.001","103.515","0.001","90.421","0.001","2255.3","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","1","0.5","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0771","0.0507","","","0.1309","0.1512","","","","","","1.03","","","","has coordinates,has disorder","181586","2020-10-21","18:00:00",""
"1542273","16.6334","0.0014","14.8352","0.0012","18.1191","0.0015","90","","90","","90","","4471.1","0.6","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cr N4 O -","- C20 H36 Cr N4 O -","- C160 H288 Cr8 N32 O8 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0533","0.0405","","","0.1057","0.1168","","","","","","1.042","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542274","10.3071","0.0009","27.649","0.002","18.4003","0.0016","90","","99.891","0.001","90","","5165.8","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cr N4 O -","- C23 H42 Cr N4 O -","- C184 H336 Cr8 N32 O8 -","8","2","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0591","0.0434","","","0.112","0.1238","","","","","","1.035","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542275","20.862","0.003","10.4975","0.0017","16.69","0.003","90","","90","","90","","3655.1","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0867","0.0503","","","0.1068","0.1232","","","","","","1.041","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542276","7.4546","0.0004","18.7124","0.001","34.4314","0.0019","90","","91.776","0.003","90","","4800.6","0.4","100","2","99.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H28 N4 O5 S -","- C25 H28 N4 O5 S -","- C200 H224 N32 O40 S8 -","8","4","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0796","0.0585","","","0.1154","0.1245","","","","","","1.043","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542277","13.2995","0.0005","10.5425","0.0004","16.004","0.0006","90","","93.024","0.002","90","","2240.8","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O3 S -","- C25 H29 N3 O3 S -","- C100 H116 N12 O12 S4 -","4","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0527","0.0428","","","0.0953","0.1009","","","","","","1.051","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542280","7.9375","0.0003","8.7365","0.0004","12.1972","0.0005","102.684","0.002","107.187","0.002","103.796","0.002","745.41","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 N6 Na O6 V -","- C10 H16 N6 Na O6 V -","- C20 H32 N12 Na2 O12 V2 -","2","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.7749","synchrotron","","0.0301","0.0263","","","0.0707","0.0729","","","","","","1.034","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542281","15.0543","0.0008","5.507","0.0003","10.1794","0.0005","90","","101.569","0.003","90","","826.77","0.08","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NaO2(cyclciAO)","NaO2(cyclciAO)","","- C5 H7 N3 Na O4 V -","- C5 H7 N3 Na O4 V -","- C20 H28 N12 Na4 O16 V4 -","4","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.71073","MoKα","","0.0485","0.033","","","0.0955","0.1112","","","","","","0.963","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542294","9.8336","0.0006","14.2701","0.0009","16.3902","0.001","83.637","0.002","85.505","0.002","83.306","0.002","2265.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th1-TIPS","","- C48 H66 S3 Si2 -","- C48 H66 S3 Si2 -","- C96 H132 S6 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","0.71073","MoKα","","0.0888","0.0591","","","0.1306","0.1444","","","","","","1.04","","","","has coordinates","182625","2020-10-21","18:00:00",""
"1542295","7.4217","0.0004","19.0953","0.0011","19.1877","0.0016","63.238","0.002","89.851","0.003","79.162","0.002","2374.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th2-TIPS","","- C50 H66 S4 Si2 -","- C50 H66 S4 Si2 -","- C100 H132 S8 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.1101","0.0922","","","0.2629","0.3472","","","","","","1.561","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542296","14.9964","0.0004","18.3543","0.0005","19.3746","0.0005","96.6629","0.0012","99.0302","0.0012","98.7364","0.0011","5151.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Th3-TIPS","","- C52 H66 S5 Si2 -","- C52 H66 S5 Si2 -","- C208 H264 S20 Si8 -","4","2","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.0642","0.0442","","","0.1035","0.1145","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542297","6.9436","0.0002","21.6735","0.0006","33.9795","0.0008","90","","94.396","0.001","90","","5098.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","BDTh-TIPS","","- C54 H68 S4 Si2 -","- C54 H68 S4 Si2 -","- C216 H272 S16 Si8 -","4","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.068","0.0495","","","0.1206","0.1327","","","","","","1.018","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542298","10.2218","0.0007","9.8805","0.001","20.3205","0.0016","90","","117.561","0.006","90","","1819.4","0.3","104.6","","104.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]selenadiazole","","- C50 H34 N2 Se -","- C50 H34 N2 Se -","- C100 H68 N4 Se2 -","2","0.5","","Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan","High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion","Chem. Sci.","2016","7","4","2888","","10.1039/C5SC04685H","","","0.7107","MoKα","","0.0606","0.0426","","","0.0881","0.0951","","","","","","1.077","","","","has coordinates,has disorder","181585","2020-10-21","18:00:00",""
"1542299","14.9598","0.0007","22.5882","0.0011","16.6294","0.0008","90","","112.453","0.0013","90","","5193.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(mfpy)2Ir(dib)]PF6","","- C57 H59 F6 Ir N7 P -","- C57 H59 F6 Ir N7 P -","- C228 H236 F24 Ir4 N28 P4 -","4","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0706","0.0647","","","0.1706","0.1799","","","","","","1.049","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542300","13.346","0.0005","19.6302","0.0007","30.1437","0.0011","90","","90","","90","","7897.2","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C336 H320 F24 Ir8 N48 O24 S24 -","8","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0228","0.0227","","","0.0588","0.059","","","","","","1.127","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542301","15.8141","0.0006","16.3895","0.0006","18.8888","0.0007","67.048","0.0019","67.5521","0.0017","82.559","0.002","4165.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","[cis-(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C168 H160 F12 Ir4 N24 O12 S12 -","4","2","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.2365","0.1713","","","0.3922","0.4436","","","","","","1.036","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542302","11.6716","0.0007","12.4594","0.0008","14.7489","0.0009","74.683","0.002","86.255","0.002","83.689","0.002","2054.6","0.2","115","","115.04","","","","","","","","","7","P -1","-P 1","2","","(lpt)2Ir(dib)OTf","","- C44 H44 F3 Ir N6 O3 S3 -","- C44 H44 F3 Ir N6 O3 S3 -","- C88 H88 F6 Ir2 N12 O6 S6 -","2","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","0.71073","MoKα","","0.0126","0.0123","","","0.0307","0.0309","","","","","","1.012","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542307","23.4378","0.0004","11.3628","0.0002","14.9029","0.0004","90","","117.124","0.001","90","","3532.43","0.13","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J.","The total synthesis of K-252c (staurosporinone) via a sequential C‒H functionalisation strategy","Chem. Sci.","2016","7","4","2706","","10.1039/C5SC04399A","","","0.71073","MoKα","","0.0813","0.043","","","0.1031","0.112","","","","","","0.964","","","","has coordinates","181579","2020-10-21","18:00:00",""
"1542308","7.608","0.002","9.473","0.003","9.93","0.003","99.76","0.005","96.941","0.004","90.08","0.005","700","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Br N O4 S -","- C14 H10 Br N O4 S -","- C28 H20 Br2 N2 O8 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0399","0.0364","","","0.0881","0.09","","","","","","1.076","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542309","8.087","0.002","8.59","0.003","11.637","0.004","87.857","0.013","79.184","0.011","79.188","0.012","779.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O5 S -","- C16 H12 F N O5 S -","- C32 H24 F2 N2 O10 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.048","0.0416","","","0.118","0.1227","","","","","","1.069","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542310","5.327","0.003","15.367","0.01","19.69","0.012","90","","90","","90","","1611.8","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl2 N O5 S -","- C16 H11 Cl2 N O5 S -","- C64 H44 Cl8 N4 O20 S4 -","4","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0736","0.0659","","","0.153","0.1579","","","","","","1.155","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542311","8.3889","0.0004","21.3112","0.001","11.195","0.0006","90","","93.127","0.003","90","","1998.43","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45.5 H52.5 N6 O1.5 Zn -","- C45.5 H48.82 N6 O1.5 Zn -","- C91 H97.64 N12 O3 Zn2 -","2","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.0901","0.0584","","","0.1629","0.1776","","","","","","1.045","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542312","29.307","0.005","45.11","0.009","26.896","0.006","90","","91.52","0.03","90","","35545","12","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C920 H528 F96 N148 O112 P12 S8 Zn16 -","4","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","1.54184","CuKα","","0.2138","0.1969","","","0.5204","0.5324","","","","","","2.255","","","","has coordinates","181587","2020-10-21","18:00:00",""
"1542313","35.224","0.0014","35.224","0.0014","43.354","0.002","90","","90","","120","","46584","3","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C350 H327 F24 N51 O27 S8 Zn10 -","- C345 H327 F9 N51 O12 S3 Zn10 -","- C1380 H1308 F36 N204 O48 S12 Zn40 -","4","0.333333","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.1292","0.1034","","","0.2721","0.2977","","","","","","1.129","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542316","16.8108","0.0005","19.7138","0.0007","23.9394","0.0009","90","","90","","90","","7933.6","0.5","100","0.1","100","0.1","","","","","","","GeO2","6","P n m a","-P 2ac 2n","62","germanate","PKU-15","","- C12 H32 Ge13.75 N2 O31 Si1.25 -","- C12 H30 Ge14.269 N2 O31 Si0.731 -","- C96 H240 Ge114.152 N16 O248 Si5.848 -","8","1","","Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua","A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity","Chem. Sci.","2016","7","5","3025","","10.1039/C5SC04916D","","","0.71073","MoKα","","0.0741","0.0514","","","0.1222","0.1346","","","","","","1.098","","","","has coordinates","182629","2020-10-21","18:00:00",""
"1542318","11.1378","0.0003","11.3745","0.0002","13.5667","0.0003","90","","90","","90","","1718.72","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J.","Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?","Chem. Sci.","2016","7","5","3102","","10.1039/C5SC03463A","","x-ray","1.54184","CuKα","","0.0397","0.0391","","","0.1065","0.1074","","","","","","1.044","","","","has coordinates","182623","2020-10-21","18:00:00",""
"1542319","18.4394","0.0005","13.7828","0.0003","8.116","0.0002","90","","92.319","0.002","90","","2060.96","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 La N O9 -","- C21 H11 La O7 -","- C84 H44 La4 O28 -","4","1","","Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu","Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework","Chem. Sci.","2016","7","2","1070","","10.1039/C5SC02679B","","","1.54178","CuKα","","0.0373","0.0356","","","0.0903","0.0917","","","","","","1.077","","","","has coordinates","175136","2020-10-21","18:00:00",""
"1542320","15.518","0.001","20.0893","0.0013","26.9179","0.0018","90","","104.175","0.0009","90","","8136","0.9","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H121.5 Fe2 N3.5 O6 -","- C85 H121.5 Fe2 N3.5 O6 -","- C340 H486 Fe8 N14 O24 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0625","0.0412","","","0.0951","0.1059","","","","","","1.013","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542321","15.5857","0.0008","20.1236","0.0011","26.8587","0.0014","90","","104.233","0.0007","90","","8165.4","0.7","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 Fe N3 O6 Zn -","- C84 H120 Fe N3 O6 Zn -","- C336 H480 Fe4 N12 O24 Zn4 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0573","0.0429","","","0.1207","0.13","","","","","","1.035","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542322","14.208","0.003","20.222","0.004","14.512","0.003","90","","108.954","0.003","90","","3943.4","1.4","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N4 O2 Zn -","- C41.5 H54 N4 O2 Zn -","- C166 H216 N16 O8 Zn4 -","4","2","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0503","0.0435","","","0.0978","0.1005","","","","","","1.074","","","","has coordinates","175138","2020-10-21","18:00:00",""
"1542323","18.9411","0.001","8.6917","0.0004","33.5158","0.0017","90","","90","","90","","5517.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0796","0.0507","","","0.1083","0.1243","","","","","","1.01","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542324","19.087","0.007","8.742","0.003","33.634","0.012","90","","90","","90","","5612","3","150","2","150.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0838","0.045","","","0.0713","0.0817","","","","","","0.864","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542325","18.969","0.006","8.681","0.003","33.397","0.01","90","","90","","90","","5499","3","180.15","","180.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.1258","0.0508","","","0.0868","0.124","","","","","","0.845","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542326","19.2853","0.0015","8.727","0.0007","33.589","0.003","90","","90","","90","","5653.1","0.8","300","2","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0757","0.0482","","","0.1173","0.1483","","","","","","1.046","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542327","18.967","0.003","8.6864","0.0012","33.532","0.005","90","","90","","90","","5524.6","1.4","130.15","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0854","0.0451","","","0.0783","0.0888","","","","","","0.872","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542328","19.074","0.006","8.705","0.003","33.611","0.01","90","","90","","90","","5581","3","190","","190","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0799","0.0475","","","0.071","0.0829","","","","","","1.018","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542334","20.7004","0.0008","32.7257","0.0012","14.3246","0.0005","90","","107.689","0.001","90","","9245.2","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ru(Phen)2(DPPZ)]2PF6","","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C380 H274 F96 N86 P16 Ru8 -","8","2","","Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M.","Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA","Chem. Sci.","2016","7","5","3075","","10.1039/C5SC04514B","","","0.71073","MoKα","","0.063","0.0455","","","0.1008","0.109","","","","","","1.053","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1542335","14.59","0.003","17.504","0.004","28.499","0.006","90","","101.456","0.003","90","","7133","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C264 H276 Cl20 Cu8 F48 N24 O32 P8 -","8","2","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1628","0.1095","","","0.3244","0.363","","","","","","1.267","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1542336","9.688","0.002","11.374","0.002","13.628","0.003","100.535","0.001","110.126","0.001","109.435","0.002","1252.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","1","0.5","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.0667","0.0515","","","0.1451","0.1645","","","","","","1.034","","","","has coordinates","182624","2020-10-21","18:00:00",""
"1542337","10.1938","0.0016","25.558","0.004","21.504","0.003","90","","91.243","0.002","90","","5601.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H75 Cl2 N5 O5 -","- C61 H75 Cl2 N5 O5 -","- C244 H300 Cl8 N20 O20 -","4","1","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1553","0.084","","","0.2327","0.3066","","","","","","0.865","","","","has coordinates,has disorder","182624","2020-10-21","18:00:00",""
"1542346","14.438","0.006","15.006","0.007","16.156","0.007","104.214","0.008","92.043","0.006","94.227","0.007","3379","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","1","0.5","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.0794","","","","0.23","","","","","","1.269","","","","has coordinates","182616","2020-10-21","18:00:00",""
"1542354","6.9686","0.0004","22.9724","0.0013","17.7667","0.0012","90","","96.495","0.001","90","","2825.9","0.3","173","2","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Co F6 N5 O3 P -","- C23 H28 Cl Co F6 N5 O3 P -","- C92 H112 Cl4 Co4 F24 N20 O12 P4 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.0788","0.0518","","","0.1385","0.1609","","","","","","1.043","","","","has coordinates","201208","2020-10-21","18:00:00",""
"1542355","28.715","0.004","28.715","0.004","7.0017","0.0009","90","","90","","90","","5773.3","1.4","173","2","173","2","","","","","","","","8","I -4","I -4","82","","","","- C21 H34 Cl3 Co F6 N5 O2 P -","- C20 H32 Cl Co F6 N5 O2 P -","- C160 H256 Cl8 Co8 F48 N40 O16 P8 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0946","0.0964","","","","","","1.07","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542356","14.9757","0.0013","10.6987","0.0013","24.941","0.003","90","","98.286","0.008","90","","3954.3","0.8","100","2","100.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Co N5 O2 -","- C20 H30 Co N5 O2 -","- C160 H240 Co8 N40 O16 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.1531","0.0597","","","0.07","0.0873","","","","","","0.944","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542357","12.5242","0.0014","16.7919","0.0019","18.462","0.002","90","","91.466","0.001","90","","3881.4","0.7","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Co F12 N6 O3 P2 -","- C30 H49 Co F12 N6 O3 P2 -","- C120 H196 Co4 F48 N24 O12 P8 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0827","0.0579","","","0.1515","0.1704","","","","","","1.054","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542358","14.6868","0.0018","15.5818","0.0014","17.997","0.002","69.889","0.003","66.513","0.002","67.869","0.002","3406.9","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C124 H114 Cl4 F24 Mn2 N30 O6 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1549","0.0741","","","0.1992","0.2546","","","","","","1.019","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542359","14.471","0.003","15.501","0.004","16.913","0.004","114.334","0.005","112.431","0.004","91.203","0.005","3122.9","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H50 F12 Mn N14 O5 P2 Ru2 -","- C61 H50 F12.152 Mn N14 O5 P2 Ru2 -","- C122 H100 F24.304 Mn2 N28 O10 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1433","0.0696","","","0.1485","0.1785","","","","","","1.036","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542406","19.1242","0.0017","16.7581","0.0014","18.8909","0.0019","90","","90","","90","","6054.3","1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C62 H80 N2 O2 P2 Si2 Th -","- C62 H80 N2 O2 P2 Si2 Th -","- C248 H320 N8 O8 P8 Si8 Th4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","0.71073","MoKα","","0.066","0.0387","","","0.0761","0.085","","","","","","1.095","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542407","18.4956","0.0002","16.94471","0.00014","18.98054","0.00016","90","","90","","90","","5948.55","0.1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C59 H82 N2 O3 P2 Si2 U -","- C59 H82 N2 O3 P2 Si2 U -","- C236 H328 N8 O12 P8 Si8 U4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","1.54184","CuKα","","0.0221","0.022","","","0.0585","0.0586","","","","","","1.12","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542408","7.47301","0.0001","12.0802","0.00015","15.6344","0.0002","90","","90","","90","","1411.4","0.03","100","","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-methoxyphenyl 1,3-dihydro-2-benzofuran-1-ylacetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Weldy, N. Mace; Schafer, A. G.; Owens, C. P.; Herting, C. J.; Varela-Alvarez, A.; Chen, S.; Niemeyer, Z.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.; Blakey, S. B.","Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C‒H functionalization with ethyl diazoacetate","Chem. Sci.","2016","7","5","3142","","10.1039/C6SC00190D","","x-ray","1.54178","CuKα","","0.0273","0.027","","","0.0668","0.067","","","","","","1.101","","","","has coordinates","182626","2020-10-21","18:00:00",""
"1542422","11.854","0.006","6.07","0.003","12.641","0.006","90","","104.097","0.006","90","","882.2","0.8","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N3 Ni O3 -","- C18 H25 N3 Ni O3 -","- C36 H50 N6 Ni2 O6 -","2","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0463","0.0345","","","0.0631","0.0662","","","","","","0.977","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542423","6.25709","0.0001","16.6261","0.0003","17.4692","0.0002","90","","90","","90","","1817.34","0.05","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 Ni O4 -","- C18 H25 N3 Ni O4 -","- C72 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.1251","0.1319","","","","","","1.116","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542424","11.065","0.005","13.046","0.006","20.098","0.009","90","","90","","90","","2901","2","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N4 Ni O5 -","- C28 H42 N4 Ni O5 -","- C112 H168 N16 Ni4 O20 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0448","0.0354","","","0.0832","0.0879","","","","","","1.042","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542425","6.41635","0.00007","10.31527","0.00011","32.9233","0.0005","90","","90","","90","","2179.07","0.05","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N3 Ni O4 -","- C25 H25 N3 Ni O4 -","- C100 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0229","0.0228","","","0.0575","0.0576","","","","","","1.094","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542426","10.1489","0.00006","12.0802","0.00007","17.62895","0.00014","90","","90","","90","","2161.32","0.02","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 Ni O4 -","- C25 H23 N3 Ni O4 -","- C100 H92 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0208","0.0205","","","0.0526","0.0528","","","","","","1.065","","","","has coordinates,has disorder","185143","2020-10-21","18:00:00",""
"1542427","16.7003","0.0009","14.0892","0.0012","9.3429","0.0006","90","","96.029","0.006","90","","2186.2","0.3","101.8","","101.8","","","","","","","","","3","C 1 c 1","C -2yc","9","","2,4-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.7107","MoKα","","0.039","0.0355","","","0.0784","0.0806","","","","","","1.055","","","","has coordinates","182619","2020-10-21","18:00:00",""
"1542428","8.4562","0.0016","7.9666","0.0014","34.004","0.006","90","","94.974","0.004","90","","2282.1","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1834","0.0746","","","0.1092","0.134","","","","","","1.05","","","","has coordinates,has disorder","182619","2020-10-21","18:00:00",""
"1542429","9.1838","0.0015","13.264","0.002","18.172","0.003","90","","97.142","0.004","90","","2196.4","0.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1232","0.0584","","","0.0888","0.1029","","","","","","1.081","","","","has coordinates","182619","2020-10-21","18:00:00",""
"1542430","12.8317","0.0004","7.8512","0.0003","17.4533","0.0008","90","","90.411","0.002","90","","1758.27","0.12","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 -","- C50 H32 N2 -","- C100 H64 N4 -","2","0.5","","Chen, Ying-Hsiao; Tang, Kuo-Chun; Chen, Yi-Ting; Shen, Jiun-Yi; Wu, Yu-Sin; Liu, Shih-Hung; Lee, Chun-Shu; Chen, Chang-Hsuan; Lai, Tzu-Yu; Tung, Shih-Huang; Jeng, Ru-Jong; Hung, Wen-Yi; Jiao, Min; Wu, Chung-Chih; Chou, Pi-Tai","Insight into the mechanism and outcoupling enhancement of excimer-associated white light generation","Chem. Sci.","2016","7","6","3556","","10.1039/C5SC04902D","","","0.71073","MoKα","","0.1489","0.059","","","0.1219","0.1587","","","","","","1.017","","","","has coordinates","185136","2020-10-21","18:00:00",""
"1542431","10.3052","0.001","33.5364","0.0019","10.5825","0.0011","90","","117.953","0.013","90","","3230.6","0.6","151","2","151","2","","","","","","","University of Manchester","5","P 1 21/n 1","-P 2yn","14","","[9-BBN(i-DCDM)][HBCF]","","- C33 H27 B2 F15 N2 -","- C33 H27.0001 B2 F15 N2 -","- C132 H108 B8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0985","0.0717","","0.1613","0.1491","0.1613","","","","","","1.0269","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542432","7.3696","0.0005","11.5512","0.0008","17.0873","0.0009","90","","93.641","0.005","90","","1451.67","0.16","150.01","0.13","150.01","0.13","","","","","","","University of Manchester","4","P 1 21/c 1","-P 2ybc","14","","9-BBN(H)(IMe4)","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0862","0.0516","","0.1277","0.1162","0.1277","","","","","","0.9866","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542433","8.8757","0.0006","20.3411","0.0011","10.7976","0.0007","90","","101.728","0.007","90","","1908.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","[9-BBN(I-DCDM)2][HBCF]","","- C36 H27 B2 Cl4 F15 N4 -","- C36 H27 B2 Cl4 F15 N4 -","- C72 H54 B4 Cl8 F30 N8 -","2","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0725","0.0528","","0.0879","0.0785","0.0879","","","","","","0.9775","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1542434","15.2641","0.0004","10.389","0.0003","19.5887","0.0006","90","","92.115","0.003","90","","3104.24","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Me2-4,5-Cl2-imidazolium][B((C6F5)3)-Z-(2-methylstyrene)]","","- C32 H16 B Cl2 F15 N2 -","- C32 H16 B Cl2 F15 N2 -","- C128 H64 B4 Cl8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0714","0.0487","","0.1035","0.0916","0.1035","","","","","","0.9732","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542447","12.9375","0.0002","11.6146","0.0002","32.205","0.002","90","","94.227","0.007","90","","4826.1","0.3","93","2","93","2","","","","","","","None","6","P 1 21/c 1","-P 2ybc","14","28","Peptidine 28","","- C49 H60 Cl N7 O6 S3 -","- C49 H60 Cl N7 O6 S3 -","- C196 H240 Cl4 N28 O24 S12 -","4","1","","Vastl, Julian; Kartika, Rendy; Park, Kichul; Cho, Art E.; Spiegel, David A.","Peptidines: glycine-amidine-based oligomers for solution- and solid-phase synthesis","Chem. Sci.","2016","7","5","3317","","10.1039/C5SC03882K","","","1.54187","CuKα","","0.0909","0.0697","","","0.1864","0.2067","","","","","","1.086","","","","has coordinates","182617","2020-10-21","18:00:00",""
"1542448","10.5922","0.0006","12.3446","0.0008","15.3053","0.0009","107.337","0.001","90.559","0.001","90.554","0.001","1910.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Br Dy N13 O6.5 -","- C34 H30 Br Dy N13 O6.5 -","- C68 H60 Br2 Dy2 N26 O13 -","2","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.1017","0.0604","","","0.1185","0.1418","","","","","","1.008","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542449","30.25","0.005","17.599","0.003","20.537","0.003","90","","129.531","0.011","90","","8433","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Dy N13 O9 -","- C32 H30 Dy N13 O8.5 -","- C256 H240 Dy8 N104 O68 -","8","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0769","0.0511","","","0.153","0.1661","","","","","","0.994","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542450","20.791","0.002","18.7611","0.0018","13.6144","0.0014","90","","129.032","0.002","90","","4125.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Dy F3 N12 O11 S -","- C33 H30 Dy F3 N12 O11 S -","- C132 H120 Dy4 F12 N48 O44 S4 -","4","0.5","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0646","0.0508","","","0.139","0.1492","","","","","","1.09","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542521","8.8945","0.0002","21.16","0.0005","9.0481","0.0002","90","","91.63","0.0019","90","","1702.23","0.07","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","2","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.0451","0.0368","","","0.0783","0.0847","","","","","","1.074","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542522","7.503","0.003","10.304","0.005","10.253","0.005","90","","92.82","0.04","90","","791.7","0.6","293.02","0.1","293.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.2768","0.104","","","0.2241","0.3441","","","","","","0.959","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542523","7.5376","0.0006","10.5784","0.001","23.8774","0.0019","90","","90","","90","","1903.9","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1427","0.0645","","","0.0978","0.13","","","","","","1.0032","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542524","6.1506","0.0018","7.564","0.002","28.362","0.008","90","","90","","90","","1319.5","0.6","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.56086","AgKα","","0.047","0.0357","","","0.0693","0.0739","","","","","","1.003","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542525","8.6911","0.0005","9.1112","0.0004","21.5901","0.001","90","","90","","90","","1709.64","0.15","100.01","0.16","100.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1907","0.0698","","","0.1552","0.2308","","","","","","0.9793","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542526","7.0175","0.0004","11.1406","0.0006","11.9874","0.0006","90","","90","","90","","937.16","0.09","110","14","110","14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.076","0.0521","","","0.1119","0.1312","","","","","","1.067","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542539","11.1671","0.0002","7.62443","0.00014","14.6056","0.0003","90","","94.1026","0.0019","90","","1240.37","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O7 S -","- C26 H27 N O7 S -","- C52 H54 N2 O14 S2 -","2","1","","Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] cycloaddition of donor‒acceptor aziridines with aldehydes via carbon‒carbon bond cleavage","Chem. Sci.","2016","7","6","3775","","10.1039/C5SC04151A","","x-ray","1.54184","CuKα","","0.0534","0.0526","","","0.1353","0.1366","","","","","","1.071","","","","has coordinates","185138","2020-10-21","18:00:00",""
"1542546","10.5883","0.0014","21.967","0.002","14.4286","0.0016","90","","95.682","0.006","90","","3339.5","0.7","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(SAr)2][Na(12-crown-4)2]","[Cu(SAr)2][Na(12-crown-4)2]","","- C32 H50 Cu Na O8 S2 -","- C32 H50 Cu Na O8 S2 -","- C128 H200 Cu4 Na4 O32 S8 -","4","1","","Johnson, Miles W.; Hannoun, Kareem I.; Tan, Yichen; Fu, Gregory C.; Peters, Jonas C.","A mechanistic investigation of the photoinduced, copper-mediated cross-coupling of an aryl thiol with an aryl halide.","Chemical science","2016","7","7","4091","4100","10.1039/C5SC04709A","","","0.71073","MoKα","","0.1503","0.0666","","","0.0928","0.1104","","","","","","1.036","","","","has coordinates","190061","2020-10-21","18:00:00",""
"1542547","7.547","0.0008","7.886","0.0007","8.992","0.0009","66.005","0.007","85.305","0.008","83.508","0.008","485.4","0.09","180","","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[MBqn2+](BF4)2 Methylbiquinoxen bis tetrafluoroborate","N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluoroborate","","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","1","0.5","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0504","0.0437","","","0.1188","0.1251","","","","","","1.017","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542548","7.133","0.0009","20.036","0.0016","11.526","0.0013","90","","99.454","0.009","90","","1624.9","0.3","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","direduced monoprotonated Methylbiquinoxen cation tetrafluoroborate; [MBqn0-H+]BF4","4,4?-dimethyl-1?,4?-dihydro-[2,2?-biquinoxalin]-4-ium tetrafluoroborate","","- C18 H17 B F4 N4 -","- C18 H17 B F4 N4 -","- C72 H68 B4 F16 N16 -","4","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0709","0.0416","","","0.1077","0.1263","","","","","","1.019","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542549","7.4683","0.0005","10.4739","0.0007","11.3249","0.0008","80.15","0.006","82.274","0.005","81.982","0.006","858.7","0.1","180","2","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[CdCl2(MBqn)]","dichloromethylbiquinoxencadmium (II)","","- C18 H16 Cd Cl2 N4 -","- C18 H16 Cd Cl2 N4 -","- C36 H32 Cd2 Cl4 N8 -","2","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0329","0.0266","","","0.0648","0.0673","","","","","","1.065","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542550","12.5879","0.0006","20.8699","0.001","13.6448","0.0008","90","","93.531","0.004","90","","3577.8","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Fe N6 O6 -","- C40 H44 Fe N6 O6 -","- C160 H176 Fe4 N24 O24 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.1007","0.0471","","","0.0897","0.1109","","","","","","1.013","","","","has coordinates","185135","2020-10-21","18:00:00",""
"1542551","10.1932","0.0019","12.318","0.002","19.654","0.004","72.773","0.004","77.793","0.004","81.49","0.004","2294.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cl6 N6 O6 -","- C44 H38 Cl6 N6 O6 -","- C88 H76 Cl12 N12 O12 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.145","0.0937","","","0.233","0.2589","","","","","","1.14","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542552","19.5077","0.0003","15.3419","0.0003","22.1726","0.0003","90","","95.401","0.001","90","","6606.47","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H99 Cl N6 O11 P2 -","- C62 H98 N6 O11 P2 -","- C248 H392 N24 O44 P8 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0777","0.0603","","","0.1574","0.171","","","","","","1.029","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542553","9.9599","0.0004","14.6932","0.0006","16.4802","0.0005","81.05","0.003","75.273","0.003","88.017","0.003","2304.1","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C93 H129 Cl3 N10 O16 P2 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0641","0.05","","","0.1188","0.1237","","","","","","1.047","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542554","16.0755","0.0007","18.9299","0.0007","24.4976","0.0006","93.415","0.002","96.103","0.003","111.261","0.004","6869.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H151 Cl9 N14 O20 P2 -","- C119 H147 Cl9 N14 O20 P2 -","- C238 H294 Cl18 N28 O40 P4 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.1811","0.1255","","","0.3052","0.3446","","","","","","1.544","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542555","35.7365","0.0013","15.061","0.0005","30.9345","0.0011","90","","104.141","0.007","90","","16145.3","1.1","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C552 H500 Cl48 I48 N96 Zn24 -","8","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","0.71075","MoKα","","0.13","0.078","","","0.2382","0.2736","","","","","","1.065","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542556","36.3783","0.0008","14.6755","0.0002","31.2278","0.0006","90","","103.184","0.002","90","","16232.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H131.15 I12 N24 O15.14 Zn6 -","- C132.785 H131.15 I12 N24 O15.14 Zn6 -","- C531.14 H524.6 I48 N96 O60.56 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","x-ray","1.54184","CuKα","","0.0562","0.0511","","","0.1352","0.1396","","","","","","1.039","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542557","34.7707","0.0006","14.8406","0.0003","31.2152","0.0005","90","","102.601","0.002","90","","15719.6","0.5","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134.29 H138.92 I12 N24 O8.41 Zn6 -","- C134.295 H138.93 I12 N24 O8.415 Zn6 -","- C537.18 H555.72 I48 N96 O33.66 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","1.54184","CuKα","","0.0935","0.0788","","","0.2091","0.2259","","","","","","1.005","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542558","27.4702","0.0008","17.1432","0.0006","27.9778","0.0008","90","","90","","90","","13175.5","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N Ni O3 P3 S3 Si3 -","- C68 H74 N Ni O3 P3 S3 Si3 -","- C544 H592 N8 Ni8 O24 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0912","0.0552","","","0.1449","0.1725","","","","","","1.042","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542559","27.5733","0.0007","17.0409","0.0005","27.8585","0.0008","90","","90","","90","","13090","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C544 H592 N16 Ni8 O16 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0499","0.0382","","","0.106","0.1276","","","","","","1.171","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542560","14.316","0.0004","26.0756","0.0006","18.0992","0.0004","90","","97.069","0.002","90","","6705","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H78 N3 Ni O P3 S3 Si3 -","- C67 H78 N3 Ni O P3 S3 Si3 -","- C268 H312 N12 Ni4 O4 P12 S12 Si12 -","4","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0547","0.0398","","","0.1124","0.1229","","","","","","0.923","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542568","29.6046","0.0008","11.8388","0.0004","17.1781","0.0004","90","","90","","90","","6020.6","0.3","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H30 N4 S3 -","- C38 H30 N4 S3 -","- C304 H240 N32 S24 -","8","1","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71073","MoKα","","0.1147","0.0512","","","0.1337","0.1985","","","","","","1.072","","","","has coordinates","185133","2020-10-21","18:00:00",""
"1542569","10.6919","0.0002","11.6399","0.0002","14.4791","0.0003","90.178","0.006","104.4","0.007","95.311","0.007","1737.22","0.08","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","1","0.5","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71075","MoKα","","0.0544","0.0427","","","0.105","0.1104","","","","","","1.044","","","","has coordinates","185133","2020-10-21","18:00:00",""
"1542582","11.0798","0.00008","21.9977","0.00013","11.88015","0.00009","90","","102.003","0.0007","90","","2832.25","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-({2-[1-(benzyl)pyrrolidine-2-carboxamide]-phenyl}phenylmethylene)-(S)-pentenylglycinato-N,N',N?,O}nickel(II)","","- C32 H33 N3 Ni O3 -","- C32 H33 N3 Ni O3 -","- C128 H132 N12 Ni4 O12 -","4","2","","Miles, Jennifer A.; Yeo, David J.; Rowell, Philip; Rodriguez-Marin, Silvia; Pask, Christopher M.; Warriner, Stuart L.; Edwards, Thomas A.; Wilson, Andrew J.","Hydrocarbon constrained peptides ‒ understanding preorganisation and binding affinity","Chem. Sci.","2016","7","6","3694","","10.1039/C5SC04048E","","","1.54184","CuKα","","0.0285","0.0274","","","0.0688","0.0696","","","","","","1.037","","","","has coordinates,has disorder","185140","2020-10-21","18:00:00",""
"1542583","7.7263","0.0014","11.203","0.002","11.9","0.002","94.504","0.01","108.019","0.01","93.687","0.01","972.2","0.3","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Fe3 N O7 S2 -","- C16 H11 Fe3 N O7 S2 -","- C32 H22 Fe6 N2 O14 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.038","0.0317","","","0.0756","0.0788","","","","","","1.051","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542584","11.3103","0.0015","12.9416","0.0018","15.479","0.002","105.449","0.005","100.216","0.005","110.921","0.004","1944.2","0.5","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 Fe3 N O5 P2 S2 -","- C40 H35 Fe3 N O5 P2 S2 -","- C80 H70 Fe6 N2 O10 P4 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0469","0.0366","","","0.0864","0.0946","","","","","","1.037","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542585","10.4593","0.0005","11.6085","0.0006","12.256","0.0006","76.988","0.002","85.341","0.002","81.75","0.002","1433.02","0.12","110.15","","110.15","","","","","","","","","8","P -1","-P 1","2","","","","- C20.2 H22.23 B F4 Fe3 N4.6 O6.72 S2 -","- C20.2 H22.234 B F4 Fe3 N4.6 O6.717 S2 -","- C40.4 H44.468 B2 F8 Fe6 N9.2 O13.434 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0658","0.052","","","0.1487","0.1629","","","","","","1.055","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542586","13.352","0.005","13.623","0.005","24.074","0.008","92.828","0.005","94.41","0.005","99.584","0.005","4296","3","150.15","","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C160 H150 B2 F48 Fe6 N2 O8 P8 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.1091","0.079","","","0.2135","0.2317","","","","","","1.082","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542591","10.0013","0.0012","14.5831","0.001","24.366","0.004","75.428","0.016","87.017","0.019","71.26","0.02","3255.5","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","Quadruply Phenylene-fused Porphyrin Tape","","- C79.27 H80.86 N5.59 Zn -","- C79.282 H78.252 N5.594 Zn -","- C158.564 H156.504 N11.188 Zn2 -","2","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.0628","0.0531","","","0.1409","0.1531","","","","","","1.018","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542592","11.0983","0.0014","34.992","0.005","32.965","0.004","90","","90","","90","","12802","3","93","2","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","doubly 10,12- and 18,20-phenylene-fused meso-nitoroporphyrin","","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C516 H544 Cl60 N40 Ni8 O16 -","8","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1107","0.0921","","","0.2589","0.2889","","","","","","1.047","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542593","14.734","0.006","20.554","0.008","20.788","0.009","90.073","0.008","103.209","0.015","109.518","0.005","5756","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","13,15-phenylene-fused meso-nitroporphyrin","","- C69 H77 N5 Ni O2 -","- C69 H77 N5 Ni O2 -","- C276 H308 N20 Ni4 O8 -","4","2","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1832","0.1419","","","0.3453","0.3713","","","","","","1.097","","","","has coordinates","185114","2020-10-21","18:00:00",""
"1542594","12.3714","0.0016","28.233","0.003","41.36","0.006","90","","96.168","0.004","90","","14363","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","doubly 10,12- and 18,20-phenylene-fused meso-diphenylphosphinylporphyrin","","- C74 H77 N4 Ni O P -","- C74.6667 H80.8889 N3.55556 Ni0.888889 O2.22222 P0.888889 -","- C672 H728 N32 Ni8 O20 P8 -","9","2.25","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1063","0.0739","","","0.1927","0.233","","","","","","1.049","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542595","11.12","0.002","12.074","0.003","15.487","0.004","69.218","0.004","72.309","0.004","70.811","0.004","1794.3","0.7","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Br N O P2 Pd -","- C44 H36 Br N O P2 Pd -","- C88 H72 Br2 N2 O2 P4 Pd2 -","2","1","","Wu, Jiang; Liu, Yafei; Lu, Changhui; Shen, Qilong","Palladium-catalyzed difluoromethylthiolation of heteroaryl bromides, iodides, triflates and aryl iodides","Chem. Sci.","2016","7","6","3757","","10.1039/C6SC00082G","","","0.71073","MoKα","","0.0928","0.0544","","","0.1207","0.1383","","","","","","0.972","","","","has coordinates","185141","2020-10-21","18:00:00",""
"1542604","7.2023","0.0003","13.3209","0.0004","16.1663","0.0005","90","","93.426","0.002","90","","1548.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 O5 Rh -","- C14 H23 O5 Rh -","- C56 H92 O20 Rh4 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0376","0.0278","","","0.0463","0.0487","","","","","","1.038","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542605","28.1638","0.0009","28.1638","0.0009","8.1635","0.0003","90","","90","","120","","5607.8","0.3","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0544","0.0309","","","0.0491","0.0532","","","","","","0.611","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542606","8.2993","0.0002","8.9088","0.0002","9.3961","0.0002","102.335","0.0011","106.607","0.0011","94.5603","0.0011","643","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","1","0.5","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0176","0.0163","","","0.0388","0.0393","","","","","","1.054","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542607","7.7536","0.0003","8.2731","0.0003","14.2858","0.0005","73.2168","0.0012","78.223","0.0015","85.339","0.0008","858.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0164","0.0159","","","0.0403","0.0407","","","","","","1.163","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542608","8.1168","0.0003","7.9198","0.0002","15.1553","0.0005","90","","93.0671","0.0015","90","","972.84","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 I O3 -","- C11 H7 I O3 -","- C44 H28 I4 O12 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0145","0.0135","","","0.0331","0.0335","","","","","","1.049","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542609","17.2465","0.0004","16.7627","0.0003","7.5137","0.0002","90","","91.9216","0.0012","90","","2170.97","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I O3 -","- C12 H9 I O3 -","- C96 H72 I8 O24 -","8","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.025","0.0202","","","0.0472","0.0492","","","","","","1.029","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542610","7.7794","0.0003","9.0897","0.0003","13.9834","0.0005","90","","99.5625","0.0014","90","","975.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O4 -","- C10 H4 I N O4 -","- C40 H16 I4 N4 O16 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0153","0.0145","","","0.0341","0.0344","","","","","","1.109","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542611","5.0752","0.0001","6.1752","0.0002","30.9217","0.0011","90","","90","","90","","969.1","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br I O2 -","- C10 H4 Br I O2 -","- C40 H16 Br4 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0313","0.0278","","","0.0486","0.0493","","","","","","1.127","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542612","7.1805","0.0002","8.2069","0.0003","10.2503","0.0003","67.006","0.002","88.761","0.002","69.374","0.002","515.67","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H3 Br2 I O2 -","- C10 H3 Br2 I O2 -","- C20 H6 Br4 I2 O4 -","2","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0277","0.0212","","","0.0489","0.051","","","","","","1.045","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542613","14.1706","0.0008","4.1298","0.0002","15.9165","0.001","90","","106.661","0.004","90","","892.36","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0617","0.0414","","","0.0932","0.1009","","","","","","1.004","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542614","13.9652","0.0006","4.4527","0.0002","16.4351","0.0006","90","","102.327","0.003","90","","998.42","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I2 O2 -","- C10 H4 I2 O2 -","- C40 H16 I8 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0289","0.022","","","0.0408","0.0426","","","","","","1.029","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542615","7.7808","0.0005","8.1027","0.0005","12.8379","0.0009","90","","94.413","0.005","90","","806.97","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Br O2 -","- C10 H5 Br O2 -","- C40 H20 Br4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0327","0.0248","","","0.0569","0.06","","","","","","1.04","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542730","22.283","0.003","10.1485","0.0015","6.7864","0.0011","90","","90","","90","","1534.7","0.4","293","2","293","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.049","0.0455","","","0.1115","0.1144","","","","","","1.077","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542731","7.4014","0.0012","11.2513","0.0018","19.726","0.003","90","","91.021","0.004","90","","1642.4","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.1389","0.0744","","","0.1758","0.2087","","","","","","1.052","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542732","9.9373","0.0012","5.8477","0.0007","23.768","0.003","90","","98.064","0.002","90","","1367.5","0.3","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.0618","0.0498","","","0.1357","0.1454","","","","","","1.037","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542733","7.9475","0.0016","10.528","0.002","11.586","0.003","93.439","0.011","108.109","0.01","96.394","0.011","911.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O5 -","- C19 H19 Cl O5 -","- C38 H38 Cl2 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0832","0.0619","","","0.1631","0.1874","","","","","","1.042","","","","has coordinates","185130","2020-10-21","18:00:00",""
"1542734","8.172","0.0019","9.085","0.002","13.302","0.003","85.887","0.006","79.292","0.005","63.379","0.004","867.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0959","0.0853","","","0.248","0.2574","","","","","","1.492","","","","has coordinates,has disorder","185130","2020-10-21","18:00:00",""
"1542735","9.9793","0.0012","11.954","0.0015","15.515","0.002","90.309","0.007","90.735","0.007","101.28","0.007","1814.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O6 -","- C19 H19 Cl O6 -","- C76 H76 Cl4 O24 -","4","2","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.1273","0.072","","","0.1765","0.2177","","","","","","1.017","","","","has coordinates","185130","2020-10-21","18:00:00",""
"1542742","11.0077","0.0006","9.7685","0.0006","14.9709","0.0007","90","","103.216","0.003","90","","1567.17","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H40 O7 S -","- C33 H40 O7 S -","- C66 H80 O14 S2 -","2","1","","Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M.","A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors","Chem. Sci.","2016","7","7","4259","","10.1039/C6SC00633G","","","0.71073","MoKα","","0.1106","0.0497","","","0.1087","0.136","","","","","","0.895","","","","has coordinates","185107","2020-10-21","18:00:00",""
"1542746","27.1499","0.0001","27.1499","0.0001","27.1499","0.0001","90","","90","","90","","20012.7","0.13","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C48 H191 Co5 N40 O126 Sb9 W24 -","- C48 H93 Co5 N39.98 O120.01 Sb9 W24 -","- C192 H372 Co20 N159.92 O480.04 Sb36 W96 -","4","0.333333","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.71073","MoKα","","0.0839","0.0615","","","0.1132","0.124","","","","","","1.053","","","","has coordinates","185122","2020-10-21","18:00:00",""
"1542747","21.9241","0.0013","26.104","0.0015","42.1665","0.0019","90","","119.618","0.002","90","","20979","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H235 Cl Co4 N49 O133 Sb9 W24 -","- C60 H106 Cl Co4 N49 O118 Sb9 W24 -","- C240 H424 Cl4 Co16 N196 O472 Sb36 W96 -","4","1","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.41328","","","0.0668","0.0454","","","0.1337","0.1562","","","","","","0.97","","","","has coordinates,has disorder","185122","2020-10-21","18:00:00",""
"1542748","16.853","0.003","17.211","0.003","18.087","0.004","99.16","0.03","91.7","0.03","96.78","0.03","5136.9","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 N10 O10.5 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","2","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.2232","0.1539","","","0.3146","0.3478","","","","","","0.997","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542749","13.49","0.003","18.126","0.004","20.197","0.004","90","","101.26","0.03","90","","4843.5","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N10 O13 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.148","0.1162","","","0.22","0.2401","","","","","","1.005","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542750","10.032","0.002","10.288","0.002","15.459","0.003","80.45","0.03","80.06","0.03","80.81","0.03","1535.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","1","0.5","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0846","0.0758","","","0.1585","0.1643","","","","","","1.011","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542751","11.353","0.002","20.065","0.004","19.117","0.004","90","","98.58","0.03","90","","4306.1","1.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 F12 N11 O2 P2 -","- C40 H39 F12 N11 O2 P2 -","- C160 H156 F48 N44 O8 P8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0985","0.0804","","","0.1687","0.1791","","","","","","1.02","","","","has coordinates,has disorder","185127","2020-10-21","18:00:00",""
"1542752","28.552","0.006","13.685","0.003","22.641","0.005","90","","103.63","0.03","90","","8597","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 F12 N11 O3 P2 -","- C40 H41 F12 N11 O3 P2 -","- C320 H328 F96 N88 O24 P16 -","8","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.099","0.0786","","","0.1624","0.1758","","","","","","1.016","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542758","5.98282","0.00012","11.5033","0.0003","22.3942","0.0004","83.2783","0.0017","89.5639","0.0015","85.3431","0.0017","1525.57","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-Benzyl-5-benzylideneoxazolidin-2-one","","- C17.5 H16 Cl N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","2","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0455","0.0433","","","0.1164","0.1183","","","","","","1.06","","","","has coordinates","185146","2020-10-21","18:00:00",""
"1542759","7.498","0.0002","5.69208","0.00016","19.4188","0.0005","90","","90.668","0.003","90","","828.72","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-5-benzylideneoxazolidin-2-one","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","0.71073","MoKα","","0.0435","0.0344","","","0.077","0.083","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1542760","12.43088","0.00018","15.8294","0.0002","18.0723","0.0003","92.4918","0.0012","101.882","0.0012","100.546","0.0012","3408.97","0.09","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-4-[1-(3-benzyl-2-oxooxazolidin-5-ylidene)ethyl]benzoate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","4","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0407","0.0365","","","0.0954","0.0993","","","","","","1.025","","","","has coordinates","185146","2020-10-21","18:00:00",""
"1542766","17.501","0.0019","5.6716","0.0006","12.6807","0.0014","90","","104.641","0.003","90","","1217.8","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","1","","Gu, Zheng-Yang; Cao, Jia-Jia; Wang, Shun-Yi; Ji, Shun-Jun","The involvement of the trisulfur radical anion in electron-catalyzed sulfur insertion reactions: facile synthesis of benzothiazine derivatives under transition metal-free conditions","Chem. Sci.","2016","7","7","4067","","10.1039/C6SC00240D","","","0.71073","Mo","","0.0618","0.0467","","","0.1396","0.1504","","","","","","1.065","","","","has coordinates","185119","2020-10-21","18:00:00",""
"1542892","10.3027","0.0004","14.2644","0.0006","18.1624","0.0007","90","","90","","90","","2669.18","0.18","125","2","125","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","[Fe(5-Br-salEen)2]ClO4","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.0309","0.0231","","","0.0575","0.061","","","","","","1.044","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1542893","11.931","0.003","12.17","0.003","19.166","0.005","90","","90","","90","","2782.9","1.2","297","2","297","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.1583","0.1001","","","0.2984","0.3515","","","","","","1.098","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1542894","15.8239","0.0008","19.3822","0.001","7.8312","0.0004","90","","90","","90","","2401.8","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","YR1","","","- C17 H10.5 N P0.5 -","- C17 H10.5 N P0.5 -","- C136 H84 N8 P4 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0656","0.0495","","","0.1197","0.1312","","","","","","0.912","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542895","11.925","0.005","12.375","0.006","18.662","0.009","87.764","0.014","76.46","0.009","83.562","0.01","2660","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","YR5","","","- C34.5 H21.5 Cl1.5 N2 O P -","- C34.5 H21.5 Cl1.5 N2 O P -","- C138 H86 Cl6 N8 O4 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.0603","0.0431","","","0.1143","0.1286","","","","","","1.036","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542896","17.008","0.008","32.243","0.012","7.688","0.003","90","","90","","90","","4216","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","YR4","","","- C28 H17 N4 P S -","- C28 H17 N4 P S -","- C224 H136 N32 P8 S8 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0438","0.0371","","","0.0975","0.1021","","","","","","1.06","","","","has coordinates","185117","2020-10-21","18:00:00",""
"1542897","8.5379","0.0004","12.3661","0.0006","20.2417","0.001","90","","99.918","0.001","90","","2105.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","YR3","","","- C28 H19 N2 P -","- C28 H19 N2 P -","- C112 H76 N8 P4 -","4","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","1.54178","CuKα","","0.0358","0.0342","","","0.0942","0.1","","","","","","1.078","","","","has coordinates","185117","2020-10-21","18:00:00",""
"1542898","10.2381","0.0006","13.0126","0.0008","17.4162","0.0011","89.311","0.002","88.175","0.002","67.825","0.001","2147.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","YR6","","","- C27 H18 N3 O3 P -","- C27 H18 N3 O3 P -","- C108 H72 N12 O12 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.043","0.0359","","","0.0979","0.1036","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542904","8.0327","0.0002","9.3726","0.0002","16.1657","0.0003","77.401","0.0013","85.464","0.0014","69.356","0.0014","1111.49","0.04","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H37 N O6 -","- C24 H37 N O6 -","- C48 H74 N2 O12 -","2","1","","Hagiwara, Koichi; Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki","Expeditious synthesis of the fused hexacycle of puberuline C via a radical-based cyclization/translocation/cyclization process","Chem. Sci.","2016","7","7","4372","","10.1039/C6SC00671J","","","1.54178","","","0.0539","0.0452","","","0.1257","0.131","","","","","","1.278","","","","has coordinates,has disorder","185106","2020-10-21","18:00:00",""
"1542912","23.023","0.004","23.023","0.004","16.459","0.003","90","","90","","120","","7555","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C222 H162 Br4 F36 N30 O44 Zn10 -","2","0.333333","","Bilbeisi, Rana A.; Prakasam, Thirumurugan; Lusi, Matteo; El Khoury, Roberto; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Olsen, John-Carl; Elhabiri, Mourad; Trabolsi, Ali","[C‒H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal‒organic structures in aqueous solutions","Chem. Sci.","2016","7","4","2524","","10.1039/C5SC04246A","","","1.54178","CuKα","","0.1205","0.0933","","","0.2711","0.2957","","","","","","1.067","","","","has coordinates","178854","2020-10-21","18:00:00",""
"1542927","18.6106","0.0006","9.3237","0.0003","20.2857","0.0006","90","","98.941","0.001","90","","3477.2","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 N4 O2 -","- C38 H56 N4 O2 -","- C152 H224 N16 O8 -","4","1","","Wezenberg, Sander J.; Croisetu, Christelle M.; Stuart, Marc C. A.; Feringa, Ben L.","Reversible gel‒sol photoswitching with an overcrowded alkene-based bis-urea supergelator","Chem. Sci.","2016","7","7","4341","","10.1039/C6SC00659K","","","0.71073","MoKα","","0.0755","0.0548","","","0.1405","0.1566","","","","","","1.035","","","","has coordinates","185129","2020-10-21","18:00:00",""
"1542928","15.7715","0.0013","12.9851","0.0011","32.521","0.003","90","","97.852","0.005","90","","6597.7","1","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Ce Li2 O11 -","- C80 H76 Ce Li2 O11 -","- C320 H304 Ce4 Li8 O44 -","4","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0475","0.0366","","","0.0912","0.1","","","","","","1.086","","","","has coordinates","185113","2020-10-21","18:00:00",""
"1542929","15.6917","0.0012","16.7884","0.0006","18.8233","0.0007","111.706","0.002","103.016","0.002","97.558","0.003","4360.6","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C97 H112 Ce Li3 O14 -","- C97 H112 Ce Li3 O14 -","- C194 H224 Ce2 Li6 O28 -","2","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0463","0.0377","","","0.099","0.1074","","","","","","1.046","","","","has coordinates,has disorder","185113","2020-10-21","18:00:00",""
"1542938","11.191","0.006","14.136","0.008","7.975","0.005","90","","106.894","0.007","90","","1207.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C11 H6 N O5 Zn -","- C11 H6 N O5 Zn -","- C44 H24 N4 O20 Zn4 -","4","0.5","","Yang, Xiaogang; Yan, Dongpeng","Long-afterglow metal‒organic frameworks: reversible guest-induced phosphorescence tunability","Chem. Sci.","2016","7","7","4519","","10.1039/C6SC00563B","","","0.71073","MoKα","","0.0532","0.052","","","0.1497","0.1501","","","","","","1.236","","","","has coordinates","185116","2020-10-21","18:00:00",""
"1542939","9.9475","0.0007","13.7704","0.001","14.6585","0.001","98.995","0.0019","100.851","0.0018","97.3666","0.0018","1921.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 N P2 Pd -","- C40 H60 N P2 Pd -","- C80 H120 N2 P4 Pd2 -","2","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0302","0.0253","","","0.0606","0.0624","","","","","","1.039","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542940","20.2994","0.0014","17.5268","0.0014","15.9561","0.0016","90","","123.775","0.003","90","","4718.8","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 N P2 Pd -","- C45 H62 N P2 Pd -","- C180 H248 N4 P8 Pd4 -","4","0.5","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.03","0.0246","","","0.0587","0.0604","","","","","","1.059","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542941","26.989","0.003","12.0603","0.001","23.568","0.002","90","","96.879","0.004","90","","7616.1","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 K P2 Pd -","- C40 H59 K P2 Pd -","- C320 H472 K8 P16 Pd8 -","8","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0349","0.0267","","","0.0661","0.0692","","","","","","1.066","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542942","10.2409","0.0009","18.169","0.0015","25.743","0.002","90","","90.553","0.003","90","","4789.7","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 K N O P2 Pd -","- C49 H72 K N O P2 Pd -","- C196 H288 K4 N4 O4 P8 Pd4 -","4","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0318","0.0252","","","0.0563","0.0582","","","","","","1.049","","","","has coordinates,has disorder","185126","2020-10-21","18:00:00",""
"1542957","10.3771","0.0007","13.7178","0.0009","15.7246","0.001","90","","90","","90","","2238.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.039","0.0369","","","0.0955","0.097","","","","","","1.051","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542958","10.6807","0.001","8.6932","0.0008","12.7653","0.0012","90","","101.848","0.002","90","","1160","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0475","0.0399","","","0.1007","0.1064","","","","","","1.046","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542959","6.763","0.0019","11.797","0.003","28.909","0.008","90","","90","","90","","2306.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N2 O2.5 S -","- C26 H25 N2 O2.5 S -","- C104 H100 N8 O10 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0584","0.0446","","","0.1","0.1057","","","","","","0.959","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542960","8.4047","0.0007","8.8853","0.0008","24","0.002","90","","90","","90","","1792.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0463","0.0373","","","0.0967","0.1019","","","","","","1.049","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542961","11.8055","0.0008","13.0054","0.0009","14.4044","0.001","90","","90","","90","","2211.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0446","0.0394","","","0.0994","0.1036","","","","","","1.042","","","","has coordinates,has disorder","185123","2020-10-21","18:00:00",""
"1542962","12.3031","0.0016","10.1584","0.0013","17.27","0.002","90","","95.303","0.002","90","","2149.2","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0672","0.0493","","","0.1068","0.1151","","","","","","0.951","","","","has coordinates,has disorder","185123","2020-10-21","18:00:00",""
"1542963","14.313","0.006","14.313","0.006","25.736","0.012","90","","90","","90","","5272","4","93","","93","","","","","","","","","5","I 4/m","-I 4","87","","","","- C124 H72 Cl16 N16 Tb2 -","- C124 H72 Cl16 N16 Tb2 -","- C248 H144 Cl32 N32 Tb4 -","2","0.125","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","","0.06","","","","0.1761","","","","","","1.153","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542964","13.8","0.003","27.638","0.006","23.522","0.005","90","","98.391","0.003","90","","8875","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H62 Cl6 N20 Tb2 -","- C110 H62 Cl6 N20 Tb2 -","- C440 H248 Cl24 N80 Tb8 -","4","1","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","0.1055","0.0761","","","0.1859","0.2231","","","","","","1.109","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542965","8.3113","0.0005","12.197","0.0006","12.7574","0.0007","101.086","0.004","105.393","0.005","93.456","0.005","1215.1","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C25 H25 Cl N2 O3 S2 -","- C25 H23 Cl N2 O3 S2 -","- C50 H46 Cl2 N4 O6 S4 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0609","0.0507","","","0.1294","0.1393","","","","","","1.028","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542966","9.1702","0.0004","18.4101","0.0009","24.3386","0.0011","90","","90","","90","","4108.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DF1","-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H17 Cl N2 O S2 -","- C23 H17 Cl N2 O S2 -","- C184 H136 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","0.71073","MoKα","","0.0833","0.0627","","","0.1646","0.1821","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542967","14.1636","0.0004","7.6109","0.0002","20.6614","0.0005","90","","103.485","0.003","90","","2165.85","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-3-hydroxybenzonitrile","","- C24 H16 Cl N3 O S2 -","- C24 H16 Cl N3 O S2 -","- C96 H64 Cl4 N12 O4 S8 -","4","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0536","0.0444","","","0.1225","0.1325","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542968","9.5948","0.0006","10.3128","0.0007","12.0188","0.0008","87.285","0.005","86.081","0.005","83.966","0.005","1178.93","0.13","293","10","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenyl)methanesulfonamide","","- C24 H20 Cl N3 O2 S3 -","- C24 H20 Cl N3 O2 S3 -","- C48 H40 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0756","0.0651","","","0.1708","0.182","","","","","","1.046","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542969","10.6742","0.0005","10.973","0.0006","13.2942","0.0007","112.061","0.005","95.45","0.004","93.025","0.004","1429.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno [3,2-e]pyridin-2-yl)phenyl)-4-methylbenzenesulfonamide","","- C30 H24 Cl N3 O2 S3 -","- C30 H24 Cl N3 O2 S3 -","- C60 H48 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.068","0.0574","","","0.1593","0.1711","","","","","","1.03","","","","has coordinates","185131","2020-10-21","18:00:00",""
"1543019","18.495","0.003","10.4499","0.0015","20.683","0.003","90","","112.149","0.002","90","","3702.4","1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Et4N][Fe4N(CO)11PPh2EtOH]","","","- C33 H35 Fe4 N2 O12 P -","- C33 H35 Fe4 N2 O12 P -","- C132 H140 Fe16 N8 O48 P4 -","4","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0296","0.024","","","0.0594","0.0626","","","","","","1.03","","","","has coordinates","181482","2020-10-21","18:00:00",""
"1543020","25.63","0.002","10.6233","0.0008","31.622","0.002","90","","95.408","0.001","90","","8571.6","1.1","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Et4N][Fe4N(CO)11PPh3]","","","- C41 H43 Fe4 N2 O12 P -","- C41 H43 Fe4 N2 O12 P -","- C328 H344 Fe32 N16 O96 P8 -","8","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0264","0.0229","","","0.0572","0.059","","","","","","1.056","","","","has coordinates,has disorder","181482","2020-10-21","18:00:00",""
"1543026","19.202","0.004","20.734","0.004","24.321","0.005","93.96","0.03","108.19","0.03","96.25","0.03","9090","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_127","","- C176.5 H153.4 B2 F8 N12 O8 Pd2 S2 -","- C176.575 H153.524 B2 F8 N12 O8 Pd2 S2 -","- C353.15 H307.048 B4 F16 N24 O16 Pd4 S4 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.1254","0.1071","","","0.3096","0.3285","","","","","","1.388","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543027","15.19","0.003","18.168","0.004","18.77","0.004","64.9","0.03","79.12","0.03","76.17","0.03","4532","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_125","","- C185 H173 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.0947","0.0798","","","0.2269","0.2374","","","","","","1.086","","","","has coordinates,has disorder","185109","2020-10-21","18:00:00",""
"1543028","18","0.004","24.665","0.005","25.221","0.005","109.16","0.03","97.62","0.03","100.3","0.03","10184","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","SL_123","","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C384 H354 Fe4 N24 O30 Pd4 S8 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.71073","MoKα","","0.1384","0.1178","","","0.2947","0.3137","","","","","","1.164","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543029","16.196","0.003","16.375","0.003","17.065","0.003","74.2","0.03","62.65","0.03","71.79","0.03","3773.9","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","SL_ADA1","","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","1","","","0.183","0.1421","","","0.3421","0.3767","","","","","","1.28","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543030","5.8323","0.0004","6.989","0.0004","13.7431","0.0009","97.28","0.002","98.85","0.002","91.576","0.002","548.43","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 B N O4 S -","- C10 H12 B N O4 S -","- C20 H24 B2 N2 O8 S2 -","2","2","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast and selective labeling of N-terminal cysteines at neutral pH via thiazolidino boronate formation.","Chemical science","2016","7","7","4589","4593","10.1039/C6SC00172F","","","1.54178","CuKα","","0.0261","0.026","","","0.0701","0.0703","","","","","","1.033","","","","has coordinates","190060","2020-10-21","18:00:00",""
"1543044","16.7707","0.0005","12.8886","0.0003","24.1907","0.0006","90","","90","","90","","5228.8","0.2","180","2","180.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H39 Cl10 N7 O8 Ru -","- C50 H39 Cl10 N7 O8 Ru -","- C200 H156 Cl40 N28 O32 Ru4 -","4","1","","Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan","Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method","Chem. Sci.","2016","7","7","4016","","10.1039/C5SC03796D","","","0.71073","MoKα","","0.0353","0.0314","","","0.0755","0.0783","","","","","","1.088","","","","has coordinates","185118","2020-10-21","18:00:00",""
"1543067","7.8922","0.0004","12.0779","0.0007","13.8862","0.0007","67.02","0.005","84.303","0.004","85.759","0.004","1211.69","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B F4 N3 O2 -","- C27 H30 B F4 N3 O2 -","- C54 H60 B2 F8 N6 O4 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0566","0.0403","","","0.0904","0.0977","","","","","","0.96","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543068","22.69881","0.00019","21.08434","0.00017","10.5946","0.00009","90","","90","","90","","5070.46","0.07","180","0.14","180","0.14","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C28 H29 B F4 N2 O3 -","- C28 H29 B F4 N2 O3 -","- C224 H232 B8 F32 N16 O24 -","8","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0546","0.051","","","0.148","0.1533","","","","","","1.033","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543069","7.9972","0.0004","20.6791","0.0007","13.5143","0.0004","90","","90.901","0.003","90","","2234.65","0.15","180","0.14","180","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl N2 O3 -","- C27 H29 Cl N2 O3 -","- C108 H116 Cl4 N8 O12 -","4","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0733","0.0545","","","0.1508","0.1636","","","","","","1.046","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543070","10.9867","0.0006","12.0208","0.0006","13.2458","0.0008","82.687","0.005","66.161","0.006","79.273","0.005","1569.51","0.17","180","0.14","180","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O4 -","- C31 H35 B Cl2 F4 N2 O4 -","- C62 H70 B2 Cl4 F8 N4 O8 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0545","0.0502","","","0.132","0.1362","","","","","","1.067","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543071","8.8012","0.0003","13.0835","0.0004","14.2973","0.0004","108.555","0.003","106.512","0.003","97.631","0.003","1450.56","0.09","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 B F4 N3 O3 -","- C31 H36 B F4 N3 O3 -","- C62 H72 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.048","0.0421","","","0.1129","0.1179","","","","","","1.063","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543072","11.0563","0.0003","13.288","0.0004","14.0408","0.0005","115.683","0.003","92.594","0.003","112.243","0.003","1665.64","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H42 B F4 N3 O3 -","- C35.5 H42 B F4 N3 O3 -","- C71 H84 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0631","0.0574","","","0.1675","0.1748","","","","","","1.049","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543073","11.1714","0.0006","11.8849","0.0006","13.3323","0.0007","84.422","0.004","65.83","0.005","79.905","0.004","1589.32","0.16","180","2","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O3 S -","- C31 H35 B Cl2 F4 N2 O3 S -","- C62 H70 B2 Cl4 F8 N4 O6 S2 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0643","0.061","","","0.175","0.1786","","","","","","1.066","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543074","7.8446","0.0004","12.7594","0.0007","13.7549","0.0008","69.935","0.005","78.524","0.005","82.802","0.005","1264.91","0.13","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 B F4 N2 O3 -","- C28 H31 B F4 N2 O3 -","- C56 H62 B2 F8 N4 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0615","0.0468","","","0.1223","0.1349","","","","","","1.026","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543075","10.025","0.0005","19.7722","0.0008","12.5456","0.0006","90","","95.411","0.004","90","","2475.7","0.2","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 B F4 N2 O2 -","- C27 H29 B F4 N2 O2 -","- C108 H116 B4 F16 N8 O8 -","4","0.5","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0705","0.0621","","","0.1794","0.1905","","","","","","1.067","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543076","11.8159","0.0007","14.3381","0.0007","17.9959","0.0009","78.648","0.004","84.294","0.004","66.016","0.005","2730.4","0.3","179","2","179","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N5 O10 -","- C27 H29 N5 O10 -","- C108 H116 N20 O40 -","4","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0466","0.0407","","","0.1164","0.1227","","","","","","1.052","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543092","13.7628","0.001","14.6969","0.0013","20.612","0.003","92.199","0.01","108.292","0.008","115.12","0.008","3512","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Dy I3 N8 O10 P4 -","- C40 H112 Dy I3 N8 O10 P4 -","- C80 H224 Dy2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0335","0.0318","","","0.0658","0.0667","","","","","","1.09","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543093","13.737","0.0008","14.6858","0.0014","20.603","0.0017","92.107","0.009","108.177","0.007","115.121","0.012","3505.6","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Er I3 N8 O10 P4 -","- C40 H112 Er I3 N8 O10 P4 -","- C80 H224 Er2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0262","0.0256","","","0.0622","0.0625","","","","","","1.079","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543094","13.7506","0.0013","14.727","0.002","20.641","0.002","92.293","0.014","108.245","0.01","114.902","0.008","3528.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 I3 N8 O10 P4 Y -","- C40 H112 I3 N8 O10 P4 Y -","- C80 H224 I6 N16 O20 P8 Y2 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.036","0.0336","","","0.0762","0.0775","","","","","","1.06","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543095","8.4474","0.0005","8.6414","0.0004","10.5047","0.0006","101.755","0.004","103.383","0.005","98.623","0.004","714.54","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.035","0.0328","","","0.088","0.0902","","","","","","1.323","","","","has coordinates","185108","2020-10-21","18:00:00",""
"1543096","8.4511","0.0002","8.5911","0.0002","10.8922","0.0002","73.717","0.002","84.157","0.002","69.545","0.002","711.23","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.0365","0.0357","","","0.0875","0.0879","","","","","","1.308","","","","has coordinates","185108","2020-10-21","18:00:00",""
"1543097","20.3065","0.0019","12.0238","0.001","25.441","0.002","90","","110.374","0.005","90","","5823.1","0.9","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H96 N6 O10 S -","- C56 H96 N6 O10 S -","- C224 H384 N24 O40 S4 -","4","1","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","0.71073","MoKα","","0.0654","0.0482","","","0.1097","0.1182","","","","","","1.184","","","","has coordinates,has disorder","185108","2020-10-21","18:00:00",""
"1543098","6.0434","0.0003","8.9035","0.0005","20.1417","0.001","101.174","0.005","91.268","0.004","107.342","0.005","1011.2","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.1039","0.0509","","","0.1016","0.1096","","","","","","1.176","","","","has coordinates,has disorder","185108","2020-10-21","18:00:00",""
"1543099","18.7479","0.0011","9.6392","0.0006","19.3565","0.0011","90","","90","","90","","3498","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3a-hydroxy-11a-methyl-10-phenyl-3,3a,11,11a-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-b]isoquinoline-1,5(2H)-dione","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Gollapelli, Krishna Kumar; Kallepu, Shivakrishna; Govindappa, Nagendra; Nanubolu, Jagadeesh babu; Chegondi, Rambabu","Carbonyl-Assisted Reverse Regioselective Cascade Annulation of 2-Acetylenic Ketones Triggered by Ru-Catalyzed C‒H Activation","Chem. Sci.","2016","","","","","10.1039/C6SC01456A","","","0.71073","MoKα","","0.0543","0.044","","","0.1205","0.1297","","","","","","1.04","","","","has coordinates","182055","2020-10-21","18:00:00",""
"1543100","38.0927","0.0019","11.6377","0.0006","16.7259","0.0007","90","","100.791","0.005","90","","7283.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H63 N0 O Si2 U -","- C36 H63 O Si2 U -","- C288 H504 O8 Si16 U8 -","8","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0495","0.0344","","","0.0655","0.0705","","","","","","1.021","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543101","22.8816","0.0013","12.0603","0.0005","16.2087","0.0008","90","","108.372","0.006","90","","4245","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H72 N O Si2 U -","- C41 H72 N O Si2 U -","- C164 H288 N4 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0804","0.0594","","","0.1288","0.1376","","","","","","1.119","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543102","16.6069","0.0013","22.4849","0.0019","11.2503","0.0011","90","","90","","90","","4200.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H72 O Si3 U -","- C39 H72 O Si3 U -","- C156 H288 O4 Si12 U4 -","4","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.1465","0.0983","","","0.2378","0.2983","","","","","","1.014","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543103","10.7251","0.0002","18.7626","0.0003","11.9516","0.0002","90","","95.238","0.001","90","","2394.99","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C88 H166 N2 Na2 O4 Si4 U2 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0343","0.0305","","","0.0728","0.0762","","","","","","1.032","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543104","12.3696","0.0004","13.4214","0.0005","21.7314","0.0006","98.997","0.003","99.477","0.002","109.711","0.003","3261.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","1","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0488","0.0338","","","0.084","0.0908","","","","","","1.024","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543105","11.1168","0.0004","19.7384","0.0006","13.01","0.0005","90","","90.901","0.003","90","","2854.4","0.17","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H95 K O7 Si2 U -","- C55 H95 K O7 Si2 U -","- C110 H190 K2 O14 Si4 U2 -","2","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.045","0.0371","","","0.072","0.0744","","","","","","1.08","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1543106","7.8163","0.0016","11.555","0.002","26.919","0.005","90","","90","","90","","2431.3","0.8","133.15","","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7","","- C26 H33 N O5 S -","- C26 H33 N O5 S -","- C104 H132 N4 O20 S4 -","4","1","","Liu, Yang; Cheng, Li-Jie; Yue, Hai-Tao; Che, Wen; Xie, Jian-Hua; Zhou, Qi-Lin","Divergent enantioselective synthesis of hapalindole-type alkaloids using catalytic asymmetric hydrogenation of a ketone to construct the chiral core structure","Chem. Sci.","2016","7","7","4725","","10.1039/C6SC00686H","","","0.71073","MoKα","","0.1148","0.0837","","","0.1899","0.2057","","","","","","1.128","","","","has coordinates","185128","2020-10-21","18:00:00",""
"1543107","8.6706","0.0002","7.72008","0.00019","11.4872","0.0003","90","","90","","90","","768.93","0.03","123","3","123","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0299","0.0233","","","0.0512","0.0541","","","","","","1.059","","","","has coordinates","185163","2020-10-21","18:00:00",""
"1543108","8.61779","0.00012","7.73073","0.0001","11.50052","0.00016","90","","90","","90","","766.185","0.018","119.8","0.6","119.8","0.6","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7.5 N1.5 O6.5 Zn -","- C3 H7.5 N1.5 O6.5 Zn -","- C12 H30 N6 O26 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0393","0.0264","","","0.0537","0.0581","","","","","","1.028","","","","has coordinates,has disorder","185163","2020-10-21","18:00:00",""
"1543181","7.593","0.003","11.744","0.004","16.592","0.005","90","","99.277","0.007","90","","1460.2","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Jeong, Jinseong; Park, Sehoon; Chang, Sukbok","Iridium-catalyzed selective 1,2-hydrosilylation of N-heterocycles","Chem. Sci.","2016","7","8","5362","","10.1039/C6SC01037G","","","0.71073","MoKα","","0.0885","0.0416","","","0.0813","0.1074","","","","","","1.021","","","","has coordinates","185149","2020-10-21","18:00:00",""
"1543182","9.1633","0.0007","9.3697","0.0007","16.2725","0.0013","80.079","0.007","75.592","0.007","68.886","0.007","1257.03","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F3 N3 O4 S -","- C27 H28 F3 N3 O4 S -","- C54 H56 F6 N6 O8 S2 -","2","1","","Berry, Stuart N.; Soto-Cerrato, Vanessa; Howe, Ethan N. W.; Clarke, Harriet J.; Mistry, Ishna; Tavassoli, Ali; Chang, Young-Tae; Pérez-Tomás, Ricardo; Gale, Philip A.","Fluorescent transmembrane anion transporters: shedding light on anionophoric activity in cells","Chem. Sci.","2016","7","8","5069","","10.1039/C6SC01643J","","x-ray","0.71073","MoKα","","0.1711","0.0878","","","0.1784","0.2178","","","","","","1.034","","","","has coordinates","185150","2020-10-21","18:00:00",""
"1543183","11.2679","0.0014","13.3101","0.0017","15.2998","0.0019","100.653","0.002","107.431","0.002","110.833","0.002","1933.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 Ni P2 -","- C30 H44 B20 Ni P2 -","- C60 H88 B40 Ni2 P4 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0647","0.0396","","","0.0892","0.0999","","","","","","1.02","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543184","21.7659","0.0017","10.9289","0.0009","25.019","0.002","90","","96.4644","0.001","90","","5913.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 B20 P2 Pd -","- C54 H68 B20 P2 Pd -","- C216 H272 B80 P8 Pd4 -","4","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0337","0.026","","","0.0682","0.0725","","","","","","1.017","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543185","11.2436","0.0008","13.3586","0.001","15.2381","0.0011","102.533","0.001","106.157","0.001","111.37","0.001","1913.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 P2 Pt -","- C30 H44 B20 P2 Pt -","- C60 H88 B40 P4 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.031","0.0235","","","0.0527","0.0548","","","","","","1.05","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543186","10.7808","0.0009","14.3611","0.0012","15.6014","0.0013","63.9504","0.0012","79.9962","0.0013","76.7773","0.0013","2105.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 B20 N2 O2 Pt -","- C32.055 H64.11 B20 N2 O2.011 Pt -","- C64.11 H128.22 B40 N4 O4.022 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0173","0.0158","","","0.0389","0.0395","","","","","","1.068","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543187","10.8488","0.0011","13.1236","0.0014","16.511","0.0017","112.701","0.001","97.749","0.001","94.541","0.001","2126.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","1","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0636","0.046","","","0.0899","0.1023","","","","","","1.123","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543188","7.2892","0.0004","17.2701","0.0011","9.625","0.0006","90","","97.582","0.004","90","","1201.05","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 B20 -","- C12 H38 B20 -","- C24 H76 B40 -","2","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","1.54178","CuKα","","0.0537","0.0513","","","0.1463","0.1489","","","","","","1.089","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543189","10.298","","9.153","","10.795","","90","","104.69","","90","","984.25","","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","m-P4A","","- C27 H20 O -","- C27 H20 O -","- C54 H40 O2 -","2","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0475","0.0448","","","0.12","0.1232","","","","","","1.061","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543190","11.475","","8.27","","20.338","","90","","103.7","","90","","1875.13","","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-FP2A","","- C27 H18 O -","- C27 H18 O -","- C108 H72 O4 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0408","0.0384","","","0.0976","0.0997","","","","","","1.034","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543191","9.9253","0.0007","9.3614","0.0005","22.1685","0.0016","90","","99.015","0.007","90","","2034.3","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","p-P4A","","- C27 H20 O -","- C27 H20 O -","- C108 H80 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.1964","0.1163","","","0.2996","0.3571","","","","","","1.082","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543192","20.259","","10.585","","9.94","","90","","90","","90","","2131.55","","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","p-P4A2","","- C28 H20 O2 -","- C28 H20 O2 -","- C112 H80 O8 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.047","0.0445","","","0.1009","0.1035","","","","","","1.096","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543193","9.075","","11.785","","19.801","","81.99","","81.95","","89.78","","2076.1","","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","p-P4Ac","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0515","0.0457","","","0.1206","0.1268","","","","","","1.03","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543194","16.9152","0.0002","16.9152","0.0002","31.3646","0.0006","90","","90","","120","","7771.9","0.2","150","0.2","150","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C106 H210 Gd7 N8 O45 -","- C106 H209.999 Gd7 N8 O45 -","- C212 H419.999 Gd14 N16 O90 -","2","0.166667","","Pineda, Eufemio Moreno; Lorusso, Giulia; Zangana, Karzan H.; Palacios, Elias; Schnack, Jürgen; Evangelisti, Marco; Winpenny, Richard E. P.; McInnes, Eric J. L.","Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic {Gd7} molecular nanomagnet","Chem. Sci.","2016","7","8","4891","","10.1039/C6SC01415A","","x-ray","0.71073","MoKα","","0.0355","0.031","","","0.0637","0.0672","","","","","","1.096","","","","has coordinates,has disorder","185157","2020-10-21","18:00:00",""
"1543195","9.5443","0.0003","12.2675","0.0003","13.2983","0.0004","68.395","0.003","89.878","0.002","84.475","0.002","1439.98","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 Cl2 N6 O2 Ru S -","- C31 H30 Cl2 N6 O2 Ru S -","- C62 H60 Cl4 N12 O4 Ru2 S2 -","2","1","","van Rixel, V. H. S.; Siewert, B.; Hopkins, S. L.; Askes, S. H. C.; Busemann, A.; Siegler, M. A.; Bonnet, Sylvestre","Green light-induced apoptosis in cancer cells by a tetrapyridyl ruthenium prodrug offering two trans coordination sites","Chem. Sci.","2016","7","8","4922","","10.1039/C6SC00167J","","","1.54178","CuKα","","0.0301","0.0283","","","0.0743","0.076","","","","","","1.043","","","","has coordinates","185162","2020-10-21","18:00:00",""
"1543196","7.7686","0.0008","6.4525","0.0006","13.9164","0.0013","90","","91.238","0.001","90","","697.42","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl N4 O3 -","- C13 H13 Cl N4 O3 -","- C26 H26 Cl2 N8 O6 -","2","1","","McCallum, T.; Barriault, L.","Direct alkylation of heteroarenes with unactivated bromoalkanes using photoredox gold catalysis","Chem. Sci.","2016","","","","","10.1039/C6SC00807K","","","0.71073","MoKα","","0.0293","0.0278","","","0.0711","0.0727","","","","","","1.034","","","","has coordinates","182327","2020-10-21","18:00:00",""
"1543213","14.834","0.0005","16.4316","0.0007","29.3685","0.0012","82.872","0.003","88.588","0.003","79.909","0.003","6993.2","0.5","100","","100","","","","101","","","","synthesised","6","P -1","-P 1","2","Halogen bonding molecular shuttle","Halogen bonding two-station [2]rotaxane","","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","1","0.5","","Barendt, Timothy A.; Robinson, Sean W.; Beer, Paul D.","Superior anion induced shuttling behaviour exhibited by a halogen bonding two station rotaxane","Chem. Sci.","2016","7","8","5171","","10.1039/C6SC00783J","","","0.6889","synchrotron","","0.1988","0.1389","","0.3827","0.323","0.3827","","","","","","0.971","","","","has coordinates,has disorder","185161","2020-10-21","18:00:00",""
"1543258","9.397","0.003","41.912","0.011","37.099","0.011","90","","90.262","0.003","90","","14611","7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H152 Cl8 N8 O12 -","- C152 H52 Cl8 N8 O12 -","- C608 H208 Cl32 N32 O48 -","4","1","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.1604","","","","0.4336","","","","","","1.997","","","","has coordinates","182583","2020-10-21","18:00:00",""
"1543271","8.8549","0.0004","18.0318","0.0009","10.1285","0.0005","90","","108.362","0.002","90","","1534.88","0.13","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Benzhydrylphthalazine","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Brachet, Etienne; Marzo, Leyre; Selkti, Mohamed; König, Burkhard; Belmont, Philippe","Visible light amination/Smiles cascade: access to phthalazine derivatives","Chem. Sci.","2016","7","8","5002","","10.1039/C6SC01095D","","","0.71073","MoKα","","0.0574","0.0468","","","0.1165","0.1245","","","","","","1.027","","","","has coordinates","185159","2020-10-21","18:00:00",""
"1543273","12.9588","0.0011","13.5352","0.0009","18.2226","0.0015","90","","126.432","0.005","90","","2571.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H73 N4 Si2 -","- C54 H73 N4 Si2 -","- C108 H146 N8 Si4 -","2","0.5","","Arz, Marius I.; Schnakenburg, Gregor; Meyer, Andreas; Schiemann, Olav; Filippou, Alexander C.","The Si2H radical supported by two N-heterocyclic carbenes","Chem. Sci.","2016","7","8","4973","","10.1039/C6SC01569G","","","0.71073","MoKα","","0.1885","0.0755","","","0.1721","0.2042","","","","","","0.754","","","","has coordinates","185148","2020-10-21","18:00:00",""
"1543281","20.258","0.005","20.258","0.005","18.302","0.004","90","","90","","120","","6505","3","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C126.5 H171 Cl13 N6 O6 S2 U2 -","- C126.5 H170 Cl12.9999 N6 O6 S2 U2 -","- C253 H340 Cl25.9998 N12 O12 S4 U4 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0385","0.0307","","","0.0696","0.0714","","","","","","1.133","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543282","21.017","0.002","12.8557","0.0012","28.173","0.003","90","","101.271","0.003","90","","7465.2","1.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.23 H109.53 K N3 O9.38 S U -","- C85.234 H109.532 K N3 O9.383 S U -","- C340.936 H438.128 K4 N12 O37.532 S4 U4 -","4","1","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0561","0.0434","","","0.0829","0.0867","","","","","","1.286","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543283","14.9009","0.0019","14.9009","0.0019","19.249","0.003","90","","90","","120","","3701.4","0.9","100","2","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 S U -","- C78 H114 K N5 O9 S U -","- C156 H228 K2 N10 O18 S2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0687","0.0319","","","0.0561","0.0645","","","","","","1.028","","","","has coordinates","186330","2020-10-21","18:00:00",""
"1543284","13.2622","0.0007","15.3715","0.0006","20.3762","0.001","76.53","0.004","74.27","0.004","65.093","0.004","3592.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H112 K2 O16 S Si4 U -","- C51.5 H112 K2 O16 S Si4 U -","- C103 H224 K4 O32 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0637","0.0449","","","0.0785","0.0857","","","","","","1.017","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543285","16.3304","0.0014","26.8","0.0019","18.8582","0.0015","90","","91.476","0.009","90","","8250.6","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H256 K4 O38 S2 Si8 U2 -","- C122 H256 K4 O38 S2 Si8 U2 -","- C244 H512 K8 O76 S4 Si16 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1642","0.0778","","","0.1","0.1282","","","","","","0.931","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543286","14.61","0.002","17.221","0.003","19.8684","0.0019","84.563","0.01","84.218","0.009","83.002","0.012","4919.1","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H158 K2 N2 O22 S Si4 U -","- C72 H158 K2 N2 O22 S Si4 U -","- C144 H316 K4 N4 O44 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1037","0.0677","","","0.1388","0.1574","","","","","","1.181","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543287","27.6846","0.0008","17.5786","0.0004","14.8975","0.0004","90","","90","","90","","7250","0.3","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C180 H396 K8 N4 O60 S6 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1361","0.0752","","","0.1315","0.156","","","","","","1.021","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543288","28.669","0.003","13.985","0.002","28.721","0.004","90","","97.583","0.009","90","","11415","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C79 H170 K2 O24 S4.66 Si6 U2 -","- C79 H170 K2 O24 S4.651 Si6 U2 -","- C316 H680 K8 O96 S18.604 Si24 U8 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1123","0.054","","","0.0946","0.1258","","","","","","1.146","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543289","13.8962","0.0005","24.5807","0.0016","26.1417","0.0014","90","","95.317","0.005","90","","8891","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H141 K O22 S Si4 U -","- C67 H141 K O22 S Si4 U -","- C268 H564 K4 O88 S4 Si16 U4 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0941","0.0674","","","0.1322","0.1462","","","","","","1.075","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543290","13.9735","0.0017","18.272","0.0011","22.168","0.003","90","","94.534","0.012","90","","5642.3","1.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H170 K2 O24 S3 Si6 U2 -","- C79 H170 K2 O24 S3 Si6 U2 -","- C158 H340 K4 O48 S6 Si12 U4 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0642","0.0463","","","0.1053","0.1327","","","","","","1.156","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543291","19.2882","0.0005","19.378","0.0005","40.5378","0.0009","90","","90","","90","","15151.7","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H116 K2 O16 S2 Si4 U -","- C55 H116 K2 O16 S2 Si4 U -","- C440 H928 K16 O128 S16 Si32 U8 -","8","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.109","0.055","","","0.0976","0.1153","","","","","","1.082","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543292","14.1455","0.0008","18.059","0.0013","22.1126","0.0012","90","","92.218","0.005","90","","5644.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H170 K2 O24 S4.36 Si6 U2 -","- C79 H170 K2 O24 S4.366 Si6 U2 -","- C158 H340 K4 O48 S8.732 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0839","0.0475","","","0.0922","0.1055","","","","","","1.034","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543293","9.8099","0.0003","20.1079","0.0005","13.9635","0.0004","90","","106.852","0.002","90","","2636.11","0.13","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl Ir O3 P2 -","- C22 H38 Cl Ir O3 P2 -","- C88 H152 Cl4 Ir4 O12 P8 -","4","1","","Rimoldi, Martino; Nakamura, Akitake; Vermeulen, Nicolaas A.; Henkelis, James J.; Blackburn, Anthea K.; Hupp, Joseph T.; Stoddart, J. Fraser; Farha, Omar K.","A metal‒organic framework immobilised iridium pincer complex","Chem. Sci.","2016","7","8","4980","","10.1039/C6SC01376G","","","1.54178","CuKα","","0.0728","0.0711","","","0.1429","0.1437","","","","","","1.223","","","","has coordinates,has disorder","185152","2020-10-21","18:00:00",""
"1543294","8.794","0.004","13.276","0.006","13.314","0.005","93.189","0.008","90.359","0.008","100.071","0.011","1527.9","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Co Cr2 N8 O7 -","- C20 H16 Co Cr2 N8 O7 -","- C40 H32 Co2 Cr4 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1756","0.158","","","0.3935","0.403","","","","","","1.586","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543295","8.9931","0.0011","13.0017","0.0016","13.0138","0.0016","85.457","0.003","79.543","0.003","83.613","0.003","1484.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 Cu N8 O7 -","- C20 H16 Cr2 Cu N8 O7 -","- C40 H32 Cr4 Cu2 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1107","0.0632","","","0.1243","0.1375","","","","","","1.018","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543296","8.7338","0.0017","13.153","0.003","13.155","0.003","86.75","0.03","84.55","0.03","80.39","0.03","1482","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 Ni O7 -","- C20 H16 Cr2 N8 Ni O7 -","- C40 H32 Cr4 N16 Ni2 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0716","0.0612","","","0.1537","0.1614","","","","","","1.057","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543297","8.7822","0.0018","13.27","0.003","13.278","0.003","85.51","0.03","80.23","0.03","83.94","0.03","1513.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 O7 Zn -","- C20 H16 Cr2 N8 O7 Zn -","- C40 H32 Cr4 N16 O14 Zn2 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0471","0.0425","","","0.1086","0.1121","","","","","","1.06","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543298","12.8149","0.0004","13.6703","0.0004","14.6341","0.0004","109.69","0.003","90.728","0.002","112.29","0.003","2204.15","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl3 Ga Ge N8 -","- C39 H52 Cl3 Ga Ge N8 -","- C78 H104 Cl6 Ga2 Ge2 N16 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.5418","CuKα","","0.0493","0.0458","","","0.1244","0.1268","","","","","","1.092","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543299","16.2434","0.0007","21.8215","0.0009","7.6828","0.0003","90","","110.197","0.004","90","","2555.76","0.19","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 Se4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0456","0.0443","","","0.1221","0.1245","","","","","","1.086","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543300","11.3788","0.0003","13.0772","0.0003","17.5125","0.0004","69.253","0.002","83.744","0.002","84.543","0.002","2417.94","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C86 H128 Cl6 Ga2 Ge2 N8 O6 Te2 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0623","0.056","","","0.1475","0.1531","","","","","","1.086","","","","has coordinates,has disorder","185164","2020-10-21","18:00:00",""
"1543301","12.532","0.0001","18.8855","0.0001","16.0769","0.0001","90","","90.091","0.001","90","","3804.96","0.04","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Cl3 Ga Ge N5 Se -","- C33 H43 Cl3 Ga Ge N5 Se -","- C132 H172 Cl12 Ga4 Ge4 N20 Se4 -","4","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0381","0.0373","","","0.0995","0.1002","","","","","","1.07","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543302","16.323","0.0002","21.5944","0.0003","7.6252","0.0001","90","","109.772","0.001","90","","2529.32","0.06","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 S4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0435","0.0423","","","0.1193","0.1207","","","","","","1.123","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543310","19.0396","0.0003","20.9444","0.0003","20.8471","0.0004","90","","93.561","0.002","90","","8297.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.75 H27.5 Dy N12 Na O5.25 -","- C42.75 H27.5 Dy N12 Na O5.25 -","- C342 H220 Dy8 N96 Na8 O42 -","8","2","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0677","0.0343","","","0.0692","0.0839","","","","","","1.046","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543311","12.3164","0.0002","14.0599","0.0003","14.9899","0.0003","85.328","0.002","68.185","0.002","84.879","0.002","2396.98","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy K N12 O7 -","- C47 H40 Dy K N12 O7 -","- C94 H80 Dy2 K2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.034","0.0269","","","0.0575","0.0609","","","","","","1.05","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543312","12.1604","0.0004","14.3443","0.0005","14.978","0.0004","83.549","0.003","68.8","0.003","83.086","0.003","2411.43","0.14","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy N12 O7 Rb -","- C47 H40 Dy N12 O7 Rb -","- C94 H80 Dy2 N24 O14 Rb2 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0483","0.0388","","","0.0933","0.1016","","","","","","1.042","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543313","12.1005","0.0005","14.5976","0.0006","14.9807","0.0006","82.535","0.004","69.08","0.004","81.967","0.003","2438.3","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cs Dy N12 O7 -","- C47 H40 Cs Dy N12 O7 -","- C94 H80 Cs2 Dy2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0509","0.035","","","0.0817","0.0954","","","","","","0.994","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543314","19.5421","0.0004","19.8322","0.0004","20.8863","0.0004","90","","97.266","0.002","90","","8029.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C320 H196 Cs8 Dy8 N96 O34 -","4","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","1.54178","CuKα","","0.0554","0.0426","","","0.1084","0.1177","","","","","","1.016","","","","has coordinates","185153","2020-10-21","18:00:00",""
"1543315","17.503","0.0017","10.588","0.001","36.844","0.003","90","","90","","90","","6828","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 B Fe N6 O3 -","- C38 H33 B Fe N6 O3 -","- C304 H264 B8 Fe8 N48 O24 -","8","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0709","0.0472","","","0.1405","0.1576","","","","","","1.045","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543316","12.6392","0.0006","12.6903","0.0006","16.0016","0.0007","67.251","0.001","75.265","0.001","79.591","0.001","2279.31","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 B Fe N8 O2 -","- C47 H42 B Fe N8 O2 -","- C94 H84 B2 Fe2 N16 O4 -","2","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0438","0.0378","","","0.1167","0.1211","","","","","","1.11","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543321","12.1726","0.001","7.9214","0.0006","12.7226","0.001","90","","112.682","0.005","90","","1131.89","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 -","- C5 H14 B10 -","- C20 H56 B40 -","4","1","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1485","0.1194","","","0.398","0.4253","","","","","","1.679","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543322","6.818","0.0007","13.8572","0.0013","11.6193","0.0012","90","","91.186","0.007","90","","1097.54","0.19","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B20 -","- C10 H26 B20 -","- C20 H52 B40 -","2","0.5","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1478","0.0838","","","0.2401","0.2737","","","","","","1.05","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543323","16.4051","0.0005","17.4587","0.0005","29.8313","0.0008","84.336","0.002","81.254","0.002","71.749","0.002","8008","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B8 Co4 Fe4 K N68 -","- C96 H88 B8 Co4 Fe4 K N68 -","- C192 H176 B16 Co8 Fe8 K2 N136 -","2","1","","Garnier, D.; Jiménez, J.-R.; Li, Y.; von Bardeleben, J.; Journaux, Y.; Augenstein, T.; Moos, E. M. B.; Gamer, M. T.; Breher, F.; Lescouëzec, R.","K⊂{[FeII(Tp)(CN)3]4[CoIII(pzTp)]3[CoII(pzTp)]}: a neutral soluble model complex of photomagnetic Prussian blue analogues","Chem. Sci.","2016","7","8","4825","","10.1039/C6SC01435F","","","0.71073","MoKα","","0.0868","0.0527","","","0.1132","0.1243","","","","","","0.86","","","","has coordinates,has disorder","185154","2020-10-21","18:00:00",""
"1543324","9.5254","0.0003","12.2658","0.0005","24.0109","0.0007","90","","90","","90","","2805.35","0.17","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C144 H40 F40 S8 -","4","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.048","0.0385","","","0.1152","0.1244","","","","","","1.03","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543325","11.1062","0.0005","14.1291","0.0006","14.3389","0.0006","70.677","0.002","76.199","0.003","86.76","0.003","2061.4","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C108 H30 F30 S6 -","3","1.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.0579","0.0467","","","0.117","0.1253","","","","","","1.044","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543326","13.7863","0.0011","37.373","0.003","7.098","0.0006","90","","100.313","0.005","90","","3598.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H36.5 Cl1.5 S2 -","- C44.5 H36.5 Cl1.5 S2 -","- C178 H146 Cl6 S8 -","4","1","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.1126","0.0737","","","0.1903","0.2203","","","","","","1.031","","","","has coordinates,has disorder","185160","2020-10-21","18:00:00",""
"1543327","8.041","0.003","11.32","0.004","12.549","0.005","106.204","0.011","106.976","0.009","99.176","0.011","1012.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","1","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","0.71073","MoKα","","0.1488","0.0667","","","0.1233","0.146","","","","","","0.985","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543334","13.2027","0.0005","11.5719","0.0005","18.2672","0.0008","90","","96.299","0.002","90","","2774","0.2","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C64 H66 O12 -","- C64 H66 O12 -","- C128 H132 O24 -","2","1","","Morcillo, Sara P.; Miguel, Delia; Álvarez de Cienfuegos, Luis; Justicia, José; Abbate, Sergio; Castiglioni, Ettore; Bour, Christophe; Ribagorda, María; Cárdenas, Diego J.; Paredes, José Manuel; Crovetto, Luis; Choquesillo-Lazarte, Duane; Mota, Antonio J.; Carreño, M. Carmen; Longhi, Giovanna; Cuerva, Juan M.","Stapled helical o-OPE foldamers as new circularly polarized luminescence emitters based on carbophilic interactions with Ag(i)-sensitivity","Chem. Sci.","2016","7","9","5663","","10.1039/C6SC01808D","","","1.54178","CuKα","","0.0412","0.0358","","","0.0873","0.0915","","","","","","1.055","","","","has coordinates","186339","2020-10-21","18:00:00",""
"1543340","20.437","0.009","16.874","0.008","7.416","0.004","90","","96.712","0.008","90","","2540","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl N O Si -","- C28 H30 Cl N O Si -","- C112 H120 Cl4 N4 O4 Si4 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1712","0.1143","","","0.2462","0.276","","","","","","1.133","","","","has coordinates","186342","2020-10-21","18:00:00",""
"1543341","16.297","0.006","17.312","0.007","10.642","0.005","90","","90","","90","","3002","2","130","","130","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H43 N2 Ni O2 -","- C32 H43 N2 Ni O2 -","- C128 H172 N8 Ni4 O8 -","4","0.5","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1034","0.0679","","","0.1853","0.2274","","","","","","1.018","","","","has coordinates,has disorder","186342","2020-10-21","18:00:00",""
"1543353","19.9984","0.0008","22.3102","0.0009","22.5607","0.0009","90","","90","","90","","10065.9","0.7","110","2","110","2","","","","","","","","5","I 2 2 2","I 2 2","23","","T2","","- C120 H204 N84 O47.5 Pd12 -","- C120 H204 N84 O47.4 Pd12 -","- C240 H408 N168 O94.8 Pd24 -","2","0.25","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.047","0.0433","","","0.1124","0.1144","","","","","","1.066","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543354","18.5319","0.0014","22.2301","0.0018","28.691","0.002","90","","95.243","0.002","90","","11770.3","1.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 N42 O22 Pd6 -","- C60 H108 N42 O22 Pd6 -","- C240 H432 N168 O88 Pd24 -","4","1","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.087","0.0788","","","0.2335","0.2452","","","","","","0.998","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543355","30.6898","0.0018","24.2224","0.0015","33.083","0.002","90","","96.418","0.002","90","","24439","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","T1","","- C120 H208 N78 O52 Pd12 -","- C120 H208 N78 O52 Pd12 -","- C480 H832 N312 O208 Pd48 -","4","0.5","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.1259","0.0804","","","0.2155","0.25","","","","","","0.783","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543372","9.1567","0.0003","10.4987","0.0003","16.4783","0.0004","74.597","0.002","82.414","0.002","81.243","0.002","1502.43","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H20 S2 Si5 -","- C4.57143 H13.1429 S0.571429 Si2 -","- C32 H92 S4 Si14 -","7","3.5","","Li, Haixing; Garner, Marc H.; Shangguan, Zhichun; Zheng, Qianwen; Su, Timothy A.; Neupane, Madhav; Li, Panpan; Velian, Alexandra; Steigerwald, Michael L.; Xiao, Shengxiong; Nuckolls, Colin; Solomon, Gemma C.; Venkataraman, Latha","Conformations of cyclopentasilane stereoisomers control molecular junction conductance","Chem. Sci.","2016","7","9","5657","","10.1039/C6SC01360K","","","1.54184","CuKα","","0.0986","0.0781","","","0.1947","0.227","","","","","","1.729","","","","has coordinates,has disorder","186332","2020-10-21","18:00:00",""
"1543379","14.0554","0.0002","8.4226","0.0001","26.8488","0.0003","90","","121.048","0.001","90","","2723.08","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 B2 Fe N9 -","- C29 H25 B2 Fe N9 -","- C116 H100 B8 Fe4 N36 -","4","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0355","0.0315","","","0.0802","0.0831","","","","","","1.041","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543380","8.669","0.0004","12.5893","0.0006","17.1783","0.0007","88.37","0.002","78.459","0.002","73.105","0.003","1756.71","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 B2 Fe N9 O2 -","- C37 H41 B2 Fe N9 O2 -","- C74 H82 B4 Fe2 N18 O4 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0416","0.0372","","","0.0967","0.0995","","","","","","1.067","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543381","16.6523","0.0003","10.1363","0.0002","29.6556","0.0006","90","","90","","90","","5005.65","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H47 B2 Fe N10 -","- C45 H47 B2 Fe N10 -","- C180 H188 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0465","0.0436","","","0.1158","0.1176","","","","","","1.04","","","","has coordinates,has disorder","211042","2020-10-21","18:00:00",""
"1543382","25.518","0.004","9.9742","0.0014","13.8788","0.0019","90","","90","","90","","3532.5","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H39 B2 Fe N10 -","- C39 H39 B2 Fe N10 -","- C156 H156 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0686","0.0482","","","0.1218","0.1329","","","","","","1.028","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543383","13.5661","0.0012","16.623","0.0014","19.6115","0.0017","68.407","0.003","83.226","0.003","68.207","0.003","3817.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H69 B4 Fe2 N19 O2 S -","- C74 H69 B4 Fe2 N19 O2 S -","- C148 H138 B8 Fe4 N38 O4 S2 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.1121","0.0769","","","0.1918","0.2093","","","","","","0.963","","","","has coordinates,has disorder","211042","2020-10-21","18:00:00",""
"1543384","18.1814","0.0016","21.881","0.003","16.8907","0.0014","90","","102.199","0.006","90","","6567.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","B2Pz4Py","","- C58 H52 B4 Li2 N18 -","- C58 H52 B4 Li2 N18 -","- C232 H208 B16 Li8 N72 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0722","0.0513","","","0.1341","0.1453","","","","","","0.967","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543391","10.13364","0.00019","14.6711","0.0002","19.7677","0.0004","90","","90","","90","","2938.9","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 B N2 O2 -","- C40 H29 B N2 O2 -","- C160 H116 B4 N8 O8 -","4","1","","Roose, Jesse; Leung, Anakin Chun Sing; Wang, Jia; Peng, Qian; Sung, Herman H.-Y.; Williams, Ian Duncan; Tang, Ben Zhong","A colour-tunable chiral AIEgen: reversible coordination, enantiomer discrimination and morphology visualization","Chem. Sci.","2016","7","9","6106","","10.1039/C6SC01614F","","x-ray","1.54184","CuKα","","0.0404","0.033","","","0.0791","0.0824","","","","","","1.002","","","","has coordinates","186327","2020-10-21","18:00:00",""
"1543426","24.9817","0.0018","11.9639","0.0009","26.6933","0.0019","90","","95.7654","0.0013","90","","7937.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 B Mn N7 O0.5 -","- C44 H48 B Mn N7 O0.5 -","- C352 H384 B8 Mn8 N56 O4 -","8","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.41328","synchrotron","","0.1176","0.0646","","","0.1611","0.1935","","","","","","1.096","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543427","19.4894","0.001","16.2426","0.0009","49.107","0.003","90","","90.164","0.003","90","","15545.2","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 B Cl Mn N6 -","- C42 H44 B Cl Mn N6 -","- C672 H704 B16 Cl16 Mn16 N96 -","16","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.71073","MoKα","","0.1088","0.0581","","","0.1295","0.1548","","","","","","1.035","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543428","6.8957","0.0003","18.2571","0.0008","26.4728","0.0013","90","","91.3638","0.0019","90","","3331.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O3 S -","- C38 H36 N2 O3 S -","- C152 H144 N8 O12 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.1049","0.0642","","","0.1774","0.2138","","","","","","1.063","","","","has coordinates","186334","2020-10-21","18:00:00",""
"1543429","8.5621","0.0003","12.1149","0.0004","25.0836","0.001","90","","99.7094","0.0014","90","","2564.63","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C120 H112 N8 O8 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.0562","0.0398","","","0.0961","0.1069","","","","","","1.016","","","","has coordinates","186334","2020-10-21","18:00:00",""
"1543430","9.9852","0.0004","10.521","0.0005","22.3329","0.0009","90","","97.84","0.003","90","","2324.24","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 B10 O2 -","- C4 H14 B10 O2 -","- C32 H112 B80 O16 -","8","2","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.2063","0.1094","","","0.2933","0.3778","","","","","","1.035","","","","has coordinates,has disorder","186340","2020-10-21","18:00:00",""
"1543431","9.8848","0.001","9.8277","0.001","20.924","0.002","90","","90","","90","","2032.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 N O2 -","- C2 H9 B10 N O2 -","- C16 H72 B80 N8 O16 -","8","1","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.0981","0.0696","","","0.1837","0.214","","","","","","1.041","","","","has coordinates","186340","2020-10-21","18:00:00",""
"1543432","18.9522","0.0004","12.8653","0.0002","33.3636","0.001","90","","96.738","0.002","90","","8078.7","0.3","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H17 N3 O3 S -","- C21 H17 N3 O3 S -","- C336 H272 N48 O48 S16 -","16","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0673","0.0536","","","0.1371","0.1486","","","","","","1.069","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543433","11.2983","0.0004","40.617","0.002","11.3731","0.0004","90","","112.949","0.004","90","","4806.1","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H19 F3 N2 O3 S -","- C25 H19 F3 N2 O3 S -","- C200 H152 F24 N16 O24 S8 -","8","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.092","0.0784","","","0.2049","0.2157","","","","","","1.065","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543434","9.6612","0.0002","14.6195","0.0003","20.0326","0.0005","90","","90","","90","","2829.44","0.11","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Br N3 O4 S -","- C32 H26 Br N3 O4 S -","- C128 H104 Br4 N12 O16 S4 -","4","1","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0464","0.0395","","","0.0951","0.1017","","","","","","1.041","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543435","13.9587","0.0012","3.8076","0.0003","14.2557","0.0012","90","","111.997","0.003","90","","702.52","0.1","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","diketone","","- C22 H12 O2 -","- C22 H12 O2 -","- C44 H24 O4 -","2","1","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.0453","0.0369","","","0.0853","0.0895","","","","","","1.036","","","","has coordinates","186343","2020-10-21","18:00:00",""
"1543436","20.925","0.002","8.4456","0.001","34.677","0.004","90","","91.177","0.003","90","","6127","1.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 N -","- C42 H37 N -","- C336 H296 N8 -","8","2","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.1248","0.0652","","","0.1536","0.1851","","","","","","1.03","","","","has coordinates,has disorder","186343","2020-10-21","18:00:00",""
"1543439","19.469","0.003","12.2196","0.0016","16.391","0.002","90","","102.099","0.003","90","","3812.9","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N2 O3 Pd -","- C47 H46 N2 O3 Pd -","- C188 H184 N8 O12 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0323","0.0323","","","0.0884","0.0885","","","","","","1.043","","","","has coordinates","186325","2020-10-21","18:00:00",""
"1543440","15.2388","0.0013","14.5866","0.0013","15.9868","0.0014","90","","106.442","0.0018","90","","3408.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 F2 N2 O Pd -","- C43 H36 F2 N2 O Pd -","- C172 H144 F8 N8 O4 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0384","0.0379","","","0.1013","0.1019","","","","","","1.038","","","","has coordinates,has disorder","186325","2020-10-21","18:00:00",""
"1543441","10.9741","0.0004","21.744","0.0008","15.245","0.0011","90","","96.681","0.007","90","","3613.1","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","mini-15021","","","- C40 H56 Fe N2 O -","- C40 H56 Fe N2 O -","- C160 H224 Fe4 N8 O4 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.1016","0.0697","","","0.1171","0.1268","","","","","","1.151","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543442","25.7232","0.0018","12.6083","0.0004","38.521","0.004","90","","92.547","0.009","90","","12481","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","007-14177","","","- C69 H89 Fe3 N8 -","- C69 H89 Fe3 N8 -","- C552 H712 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","1.54187","CuKα","","0.113","0.0756","","","0.1807","0.218","","","","","","0.975","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543443","26.1506","0.0018","12.4838","0.0002","39.818","0.004","90","","90.725","0.009","90","","12997.9","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","spider-14106","","","- C71 H95 Fe3 N8 -","- C71 H95 Fe3 N8 -","- C568 H760 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0675","0.0483","","","0.1121","0.1216","","","","","","1.044","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543444","11.6617","0.0004","12.8275","0.0004","17.826","0.003","110.292","0.007","99.483","0.008","103.94","0.007","2335.4","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","spider-14080","","","- C51 H66 Fe2 N6 -","- C51 H66 Fe2 N6 -","- C102 H132 Fe4 N12 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0425","0.0349","","","0.0883","0.0924","","","","","","1.05","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543445","12.7872","0.0008","12.8768","0.0008","14.4731","0.0009","77.782","0.001","84.648","0.001","82.055","0.001","2301.7","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","holkg01","","","- C48 H66 Fe2 N4 O3 -","- C48 H66 Fe2 N4 O3 -","- C96 H132 Fe4 N8 O6 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71073","MoKα","","0.1124","0.0534","","","0.1037","0.125","","","","","","1.009","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543446","10.8292","0.0017","12.1016","0.0019","12.4355","0.0019","104.019","0.007","113.332","0.008","108.094","0.008","1291.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","mini-14047","","","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","1","0.5","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.094","0.0734","","","0.168","0.1794","","","","","","1.171","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543447","8.1716","0.0002","18.2611","0.0003","17.0223","0.0012","90","","99.181","0.007","90","","2507.6","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spider-14140","","","- C31 H34 Fe N2 -","- C31 H34 Fe N2 -","- C124 H136 Fe4 N8 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0434","0.0376","","","0.0923","0.0956","","","","","","1.089","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543464","18.5357","0.0005","20.6392","0.001","14.1552","0.0007","90","","90","","90","","5415.2","0.4","198","2","198","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C59 H52 B4 Cl2 N4 O8 S2 -","- C59 H52 B4 Cl2 N4 O8 S2 -","- C236 H208 B16 Cl8 N16 O32 S8 -","4","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0965","0.0691","","","0.1682","0.219","","","","","","1.142","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543465","13.734","0.0006","14.1169","0.0005","20.8001","0.0007","90","","122.833","0.002","90","","3388.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B4 Cl12 N4 O8 S2 -","- C58 H52 B4 Cl12 N4 O8 S2 -","- C116 H104 B8 Cl24 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.063","0.0518","","","0.127","0.1371","","","","","","1.149","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543466","10.54186","0.00019","12.9408","0.0002","14.3073","0.0003","69.8702","0.0007","73.699","0.0007","79.771","0.0007","1751.79","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 B4 Cl12 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","1","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0769","0.0514","","","0.1284","0.1637","","","","","","1.12","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543467","13.7207","0.0003","14.0837","0.0003","20.4986","0.0003","90","","122.84","0.001","90","","3328.08","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B4 Cl15 N4 O8 S2 -","- C49 H45 B4 Cl15 N4 O8 S2 -","- C98 H90 B8 Cl30 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0536","0.0481","","","0.1183","0.1233","","","","","","1.077","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543468","13.6699","0.0007","14.0308","0.0009","20.6325","0.0009","90","","122.572","0.003","90","","3334.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O8 S3 -","- C56 H50 B4 Cl12 N4 O8 S3 -","- C112 H100 B8 Cl24 N8 O16 S6 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0704","0.0503","","","0.1339","0.1473","","","","","","1.047","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543469","13.6823","0.0012","14.0543","0.0013","20.5851","0.0014","90","","122.711","0.004","90","","3330.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O9 S2 -","- C56 H50 B4 Cl12 N4 O9 S2 -","- C112 H100 B8 Cl24 N8 O18 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0614","0.0502","","","0.1366","0.1455","","","","","","1.05","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543470","13.6829","0.001","14.0362","0.001","20.6735","0.0011","90","","122.667","0.003","90","","3342.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H51 B4 Cl12 N5 O8 S2 -","- C57 H51 B4 Cl12 N5 O8 S2 -","- C114 H102 B8 Cl24 N10 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0668","0.0563","","","0.1492","0.1576","","","","","","1.052","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543487","10.5","0.008","7.818","0.006","16.997","0.013","90","","103.529","0.009","90","","1356.6","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co(Tpm)2","","","- C20 H20 Cl2 Co N12 O8 -","- C20 H20 Cl2 Co N12 O8 -","- C40 H40 Cl4 Co2 N24 O16 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0746","0.0602","","","0.1635","0.176","","","","","","1.078","","","","has coordinates","187023","2020-10-21","18:00:00",""
"1543488","9.7482","0.0008","17.1636","0.0014","18.9136","0.0016","90","","98.5041","0.0009","90","","3129.7","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co(Tpm)2(BPh4)2","","","- C72 H66 B2 Co N14 -","- C72 H66 B2 Co N14 -","- C144 H132 B4 Co2 N28 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0383","0.0323","","","0.0762","0.0796","","","","","","1.039","","","","has coordinates","187023","2020-10-21","18:00:00",""
"1543489","7.1039","0.0005","8.2133","0.0006","17.348","0.0012","102.227","0.006","90.177","0.006","90.407","0.006","989.2","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O3 P2 -","- C21 H22 O3 P2 -","- C42 H44 O6 P4 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0539","0.0476","","","0.128","0.1319","","","","","","1.105","","","","has coordinates","186338","2020-10-21","18:00:00",""
"1543490","9.4422","0.0004","10.657","0.0004","24.5794","0.001","90","","100.252","0.0007","90","","2433.83","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","124-thiodiphospholide","sodium(1-thio-2,4-diphosphol-5-mesitoyl-3-olate)","","- C38 H62 Na2 O10 P4 S2 -","- C37.9936 H61.984 Na2 O9.9968 P4 S2 -","- C75.9872 H123.968 Na4 O19.9936 P8 S4 -","2","0.5","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0612","0.0501","","","0.1225","0.131","","","","","","1.065","","","","has coordinates,has disorder","186338","2020-10-21","18:00:00",""
"1543491","7.1716","0.0004","8.4029","0.0007","17.181","0.002","80.076","0.009","88.792","0.008","86.067","0.006","1017.43","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-thio-2,4-diphospholo-5-mesityl-3-mesitoylester","","- C21 H22 O2 P2 S -","- C21 H22 O2 P2 S -","- C42 H44 O4 P4 S2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0929","0.0547","","","0.1027","0.1102","","","","","","0.898","","","","has coordinates","186338","2020-10-21","18:00:00",""
"1543493","24.4","0.001","14.864","0.001","17.233","0.001","90","","108.543","0.003","90","","5925.6","0.6","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9936 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.987 Cl7.984 Li4 N16 Ni4 -","2","0.5","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0624","0.0611","","","0.155","0.1569","","","","","","0.964","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543494","24.505","0.001","14.95","0.002","17.435","0.001","90","","108.799","0.003","90","","6046.6","0.9","250","","250","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9968 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.994 Cl7.984 Li4 N16 Ni4 -","2","0.25","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0644","0.063","","","0.1484","0.1501","","","","","","0.854","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543497","10.8375","0.0004","9.941","0.0003","11.3983","0.0004","90","","101.181","0.004","90","","1204.69","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl 2-((4-tert-butyl-5-morpholinooxazol-2-yl)(phenyl)methyl)malonate","","- C23 H30 N2 O6 -","- C23 H29 N2 O6 -","- C46 H58 N4 O12 -","2","1","","Luo, Weiwei; Yuan, Xiao; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","A N,N′-dioxide/Mg(OTf)2complex catalyzed enantioselective α-addition of isocyanides to alkylidene malonates","Chem. Sci.","2016","7","7","4736","","10.1039/C6SC00689B","","x-ray","1.54184","CuKα","","0.0762","0.0735","","","0.1906","0.1967","","","","","","1.051","","","","has coordinates","185124","2020-10-21","18:00:00",""
"1543512","25.72","0.002","7.5763","0.0007","7.2135","0.0007","90","","92.727","0.003","90","","1404","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 F5 I N3 -","- C14 H5 F5 I N3 -","- C56 H20 F20 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","","0.017","","","","0.0495","","","","","","1.084","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543513","40.169","0.006","11.394","0.0013","9.9435","0.0012","90","","95.318","0.003","90","","4531.4","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 F5 I N3 -","- C22 H21 F5 I N3 -","- C176 H168 F40 I8 N24 -","8","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0403","0.0372","","","0.1093","0.115","","","","","","1.069","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543514","10.646","0.006","11.018","0.006","12.134","0.005","93.081","0.007","96.436","0.012","113.187","0.011","1292.6","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F4 I N4 O -","- C27 H25 F4 I N4 O -","- C54 H50 F8 I2 N8 O2 -","2","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0402","0.0381","","","0.0926","0.0983","","","","","","0.917","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543515","7.1624","0.0011","7.4352","0.0013","33.215","0.005","90","","90","","90","","1768.8","0.5","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H10 F4 I N3 -","- C20 H10 F4 I N3 -","- C80 H40 F16 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0234","0.0219","","","0.0517","0.052","","","","","","1.011","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543516","11.9881","0.0006","17.8532","0.0007","12.4745","0.0007","90","","109.769","0.006","90","","2512.5","0.2","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 N4 Ni2 Zn4 -","- C42 H72 N4 Ni2 Zn4 -","- C84 H144 N8 Ni4 Zn8 -","2","0.5","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0523","0.0371","","","0.093","0.1054","","","","","","1.056","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543517","9.2494","0.0004","10.0833","0.0004","15.9728","0.0006","100.172","0.003","92.322","0.003","109.339","0.004","1375.66","0.1","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H45 Ni P3 Zn2 -","- C20 H45 Ni P3 Zn2 -","- C40 H90 Ni2 P6 Zn4 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0407","0.0348","","","0.0897","0.0961","","","","","","1.051","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543518","11.824","0.0009","17.8591","0.001","16.3145","0.0009","90","","92.362","0.005","90","","3442.1","0.4","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Ni P2 Zn4 -","- C28 H54 Ni P2 Zn4 -","- C112 H216 Ni4 P8 Zn16 -","4","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0671","0.037","","","0.0935","0.0977","","","","","","0.94","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543519","12.2816","0.0003","13.0205","0.0004","29.8246","0.0008","100.247","0.002","97.965","0.002","90.646","0.002","4644.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H150 P2 Pd3 Zn6 -","- C97.007 H150.008 P2 Pd3 Zn6 -","- C194.014 H300.016 P4 Pd6 Zn12 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0472","0.0349","","","0.0841","0.091","","","","","","1.02","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543520","25.6662","0.0006","25.5792","0.0006","35.0042","0.0008","90","","90","","90","","22981","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H86 N2 Pd Zn4 -","- C57 H86 N2 Pd Zn4 -","- C912 H1376 N32 Pd16 Zn64 -","16","2","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.127","0.0585","","","0.1308","0.1725","","","","","","1.086","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543553","7.9301","0.0002","11.6306","0.0003","25.2568","0.0005","90","","90","","90","","2329.48","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0345","0.0341","","","0.0985","0.0989","","","","","","1.083","","","","has coordinates","187021","2020-10-21","18:00:00",""
"1543554","15.9092","0.0004","18.9397","0.0005","8.0829","0.0002","90","","90","","90","","2435.5","0.11","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26.5 H36 O7.5 -","- C26.5 H36 O7.5 -","- C106 H144 O30 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0411","0.0407","","","0.1136","0.114","","","","","","1.046","","","","has coordinates,has disorder","187021","2020-10-21","18:00:00",""
"1543568","17.4037","0.0017","14.1343","0.0013","20.914","0.002","90","","111.783","0.0015","90","","4777.3","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.1298","0.0905","","","0.2169","0.2438","","","","","","1.052","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543569","17.262","0.003","13.956","0.002","20.301","0.003","90","","109.105","0.003","90","","4621.3","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.0691","0.0489","","","0.1394","0.1581","","","","","","1.061","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543577","10.0629","0.0004","10.0629","0.0004","28.901","0.003","90","","90","","90","","2926.6","0.3","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H35 Fe N P2 -","- C33 H35 Fe N P2 -","- C132 H140 Fe4 N4 P8 -","4","1","","Chen, Caiyou; Wang, Heng; Zhang, Zhefan; Jin, Shicheng; Wen, Songwei; Ji, Jianjian; Chung, Lung Wa; Dong, Xiu-Qin; Zhang, Xumu","Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction","Chem. Sci.","2016","7","11","6669","","10.1039/C6SC01845A","","","0.71073","MoKα","","0.0589","0.042","","","0.0948","0.1043","","","","","","1.024","","","","has coordinates","188060","2020-10-21","18:00:00",""
"1543600","9.6686","0.0001","35.1961","0.0004","15.4447","0.0002","90","","100.103","0.0012","90","","5174.29","0.11","100","","100","","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","24","","- C23 H27 I N4 O5 S2 -","- C23 H27 I N4 O5 S2 -","- C184 H216 I8 N32 O40 S16 -","8","2","","Peacock, Hayden; Luo, Jinghui; Yamashita, Tohru; Luccarelli, James; Thompson, Sam; Hamilton, Andrew D.","Non-covalent S⋯O interactions control conformation in a scaffold that disrupts islet amyloid polypeptide fibrillation","Chem. Sci.","2016","7","10","6435","","10.1039/C6SC00756B","","","0.6889","Synchrotron","","0.0525","0.0372","","0.0763","0.066","0.0763","","","","","","0.9203","","","","has coordinates","187025","2020-10-21","18:00:00",""
"1543615","13.2463","0.0016","13.2463","0.0016","29.783","0.004","90","","90","","120","","4525.7","1","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","[K(Kryptofix-2,2,2)]2[Pb2(mBDCA-5t)]","","- C84 H132 K2 N12 O18 Pb2 -","- C83.655 H132 K2 N12 O18 Pb2 -","- C167.31 H264 K4 N24 O36 Pb4 -","2","0.166667","","Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher","Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●−","Chem. Sci.","2016","","","","","10.1039/C6SC01754A","","","0.71073","MoKα","","0.0532","0.0267","","","0.0517","0.0612","","","","","","1.014","","","","has coordinates,has disorder","184267","2020-10-21","18:00:00",""
"1543616","13.1963","0.0019","13.1963","0.0019","29.806","0.005","90","","90","","120","","4495.1","1.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","[K(Kryptofix-2,2,2]2[Sn2(mBDCA-5t)]","","- C84 H132 K2 N12 O18 Sn2 -","- C84 H132 K2 N12 O18 Sn2 -","- C168 H264 K4 N24 O36 Sn4 -","2","0.166667","","Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher","Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●−","Chem. Sci.","2016","","","","","10.1039/C6SC01754A","","","0.71073","MoKα","","0.0481","0.0372","","","0.0931","0.1008","","","","","","1.047","","","","has coordinates,has disorder","184267","2020-10-21","18:00:00",""
"1543617","13.2183","0.0019","18.536","0.003","16.295","0.002","90","","113.704","0.002","90","","3655.7","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[K2(DMF)3][Se6Sn2(mBDCA-5t)]","","- C48 H60 K2 N8 O7.5 Se6 Sn2 -","- C48 H60 K2 N8 O7.5 Se6 Sn2 -","- C96 H120 K4 N16 O15 Se12 Sn4 -","2","1","","Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher","Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●−","Chem. Sci.","2016","","","","","10.1039/C6SC01754A","","","0.71073","MoKα","","0.1017","0.0718","","","0.1873","0.21","","","","","","1.035","","","","has coordinates,has disorder","184267","2020-10-21","18:00:00",""
"1543631","15.7112","0.0006","15.4073","0.001","21.2986","0.0012","90","","90","","90","","5155.7","0.5","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H26 -","- C38 H26 -","- C304 H208 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.086","0.0398","","","0.0794","0.0978","","","","","","1.031","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543632","22.5254","0.0005","17.7308","0.0004","24.2495","0.0005","90","","98.636","0.001","90","","9575.3","0.4","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 -","- C70 H46 -","- C560 H368 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1016","0.0417","","","0.0836","0.112","","","","","","1.028","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543633","16.2638","0.0011","21.1086","0.0015","14.1182","0.001","90","","115.136","0.002","90","","4387.9","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 -","- C54 H36 -","- C216 H144 -","4","0.5","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.078","0.0525","","","0.1543","0.1701","","","","","","1.044","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543634","16.4358","0.001","19.7791","0.0012","10.5249","0.0006","90","","107.835","0.0006","90","","3257.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F2 -","- C22 H14 F2 -","- C176 H112 F16 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0704","0.0433","","","0.0981","0.1156","","","","","","1.012","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543635","15.7303","0.0014","15.2924","0.0017","23.248","0.003","90","","90","","90","","5592.4","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 -","- C38 H22 F4 -","- C304 H176 F32 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1003","0.0403","","","0.0837","0.1097","","","","","","1.002","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543636","21.8211","0.0007","19.2793","0.0006","19.7602","0.0008","90","","90","","90","","8313","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C54 H30 F6 -","- C54 H30 F6 -","- C432 H240 F48 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0557","0.0326","","","0.067","0.0743","","","","","","0.983","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543637","11.1751","0.0004","12.6389","0.0005","19.118","0.0007","83.981","0.002","85.728","0.002","64.491","0.002","2422.29","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H34 F8 -","- C64 H34 F8 -","- C128 H68 F16 -","2","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1096","0.0613","","","0.1925","0.2147","","","","","","1.035","","","","has coordinates,has disorder","187027","2020-10-21","18:00:00",""
"1543638","22.2731","0.0011","22.2731","0.0011","7.127","0.0006","90","","90","","90","","3535.6","0.4","223","2","223","2","","","","","","","","3","P 4 c c","P 4 -2c","103","","","","- C22 H14 Cl2 -","- C22 H14 Cl2 -","- C176 H112 Cl16 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0718","0.0454","","","0.111","0.1247","","","","","","0.997","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543639","20.7464","0.0008","13.0281","0.0005","24.8595","0.0011","90","","107.709","0.002","90","","6400.8","0.5","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H22.5 Cl5.5 -","- C38.5 H22.5 Cl5.5 -","- C308 H180 Cl44 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0966","0.0533","","","0.1286","0.155","","","","","","1","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543643","11.31","0.0002","10.2958","0.0002","17.6004","0.0003","90","","95.49","0.001","90","","2040.09","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Cl4 La2 O12 -","- C24 H56 Cl4 La2 O12 -","- C48 H112 Cl8 La4 O24 -","2","0.5","","Banger, Kulbinder; Warwick, Christopher; Lang, Jiang; Broch, Katharina; Halpert, Jonathan E.; Socratous, Josephine; Brown, Adam; Leedham, Timothy; Sirringhaus, Henning","Identification of dipole disorder in low temperature solution processed oxides: its utility and suppression for transparent high performance solution-processed hybrid electronics","Chem. Sci.","2016","7","10","6337","","10.1039/C6SC01962E","","","0.71073","MoKα","","0.0467","0.0259","","","0.0548","0.0564","","","","","","0.963","","","","has coordinates","187026","2020-10-21","18:00:00",""
"1543644","10.364","0.002","19.222","0.004","15.466","0.004","90","","103.941","0.003","90","","2990.3","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H Cl7 F15 O2 Sb -","- C25 H Cl7 F15 O2 Sb -","- C100 H4 Cl28 F60 O8 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0357","0.0266","","","0.0583","0.064","","","","","","1.047","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543645","10.0997","0.0006","17.0938","0.0011","22.0155","0.0014","69.649","0.002","78.072","0.002","89.884","0.002","3476.5","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C121 H62 Cl18 F60 O12 P4 Sb4 -","4","2","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.05","0.0409","","","0.0992","0.1047","","","","","","1.092","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543646","17.7168","0.001","11.1989","0.0007","20.8571","0.0012","90","","105.423","0.003","90","","3989.2","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl4 F15 O3 P Sb -","- C37 H29 Cl4 F15 O3 P Sb -","- C148 H116 Cl16 F60 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0516","0.0328","","","0.0635","0.0714","","","","","","1.034","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543647","11.1609","0.0018","16.856","0.003","21.036","0.003","105.844","0.003","94.824","0.003","102.789","0.003","3668.3","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.5 H53 Cl13 O4 P2 Sb2 -","- C74.5 H53 Cl13 O4.221 P2 Sb2 -","- C149 H106 Cl26 O8.442 P4 Sb4 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0699","0.0424","","","0.0975","0.1177","","","","","","1.046","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543648","10.758","0.0005","11.0777","0.0005","12.9446","0.0006","108.732","0.003","90.137","0.003","115.76","0.003","1297.41","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 F10 P Sb -","- C30 H14 F10 P Sb -","- C60 H28 F20 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0524","0.0366","","","0.0727","0.0796","","","","","","1.026","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543649","10.129","0.003","13.412","0.003","14.339","0.004","99.327","0.006","96.206","0.006","110.765","0.006","1768.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H14 Cl4 F10 O2 P Sb -","- C36 H14 Cl4 F10 O2 P Sb -","- C72 H28 Cl8 F20 O4 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0432","0.0332","","","0.0766","0.0809","","","","","","1.037","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543650","11.241","0.004","12.544","0.004","13.673","0.004","73.997","0.004","71.62","0.004","64.203","0.004","1625.5","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 Cl4 O3 P Sb -","- C37 H26 Cl4 O3 P Sb -","- C74 H52 Cl8 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0824","0.0479","","","0.0925","0.109","","","","","","1.041","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543651","13.9283","0.0006","13.9709","0.0006","14.2499","0.0007","102.466","0.002","110.1","0.002","106.711","0.002","2336.4","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C79 H37 Cl23 F20 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0531","0.0462","","","0.1323","0.1381","","","","","","1.059","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543652","11.0232","0.0007","15.2532","0.001","28.605","0.002","90","","100.049","0.004","90","","4735.8","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 Cl7 F10 O3 P Sb -","- C42.725 H27.685 Cl7.765 F10 O3 P Sb -","- C170.9 H110.74 Cl31.06 F40 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.1457","0.1255","","","0.3128","0.3272","","","","","","1.175","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543685","10.124","0.002","10.455","0.003","17.03","0.004","90.017","0.005","94.225","0.007","109.592","0.006","1693","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","1","","Xin, Hanshen; Ge, Congwu; Yang, Xiaodi; Gao, Honglei; Yang, Xiaochun; Gao, Xike","Biazulene diimides: a new building block for organic electronic materials","Chem. Sci.","2016","7","11","6701","","10.1039/C6SC02504H","","","0.71073","MoKα","","0.1956","0.0785","","","0.1806","0.2416","","","","","","0.99","","","","has coordinates,has disorder","188061","2020-10-21","18:00:00",""
"1543704","10.283","0.0001","18.3022","0.0001","15.6495","0.0001","90","","108.079","0.001","90","","2799.85","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(IPr)PBr3","","- C27 H36 Br3 N2 P -","- C27 H36 Br3 N2 P -","- C108 H144 Br12 N8 P4 -","4","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0242","0.0236","","","0.0577","0.058","","","","","","1.138","","","","has coordinates","184564","2020-10-21","18:00:00",""
"1543705","12.7442","0.0006","15.5789","0.0007","18.8569","0.0006","76.13","0.003","81.932","0.003","68.427","0.004","3374.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{(IPr)PBr}2Br]Br*3THF","","- C66 H96 Br4 N4 O3 P2 -","- C66 H96 Br4 N4 O3 P2 -","- C132 H192 Br8 N8 O6 P4 -","2","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0469","0.0447","","","0.1335","0.1358","","","","","","1.021","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543706","12.8207","0.0001","23.5342","0.0003","30.8558","0.0004","90.475","0.001","99.027","0.001","105.727","0.001","8837.79","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[{(IPr)PBr}2Br][BArF]","","- C86 H84 B Br3 F24 N4 P2 -","- C86 H84 B Br3 F24 N4 P2 -","- C344 H336 B4 Br12 F96 N16 P8 -","4","2","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0473","0.0427","","","0.1163","0.1209","","","","","","1.025","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543707","12.8045","0.0004","16.4182","0.0005","17.5699","0.0004","73.042","0.002","84.65","0.002","67.727","0.003","3268.83","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[P2(IPr)2Br2][BArF]2*C6H4F2","","- C130 H104 B2 Br2 F52 N4 P2 -","- C130 H104 B2 Br2 F52 N4 P2 -","- C130 H104 B2 Br2 F52 N4 P2 -","1","0.5","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0605","0.057","","","0.1597","0.1636","","","","","","1.061","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543708","12.9265","0.0001","19.5862","0.0002","25.8965","0.0003","91.462","0.001","100.922","0.001","103.341","0.001","6247.54","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[P2(IPr)2Br2][BArF]2*1.5CH2Cl2","","- C119.5 H99 B2 Br2 Cl3 F48 N4 P2 -","- C119.5 H99 B2 Br2 Cl3 F48 N4 P2 -","- C239 H198 B4 Br4 Cl6 F96 N8 P4 -","2","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0632","0.0595","","","0.1558","0.1594","","","","","","1.054","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543709","21.5603","0.0002","26.1169","0.0002","22.7679","0.0002","90","","111.375","0.001","90","","11938.5","0.2","150","2","150","2","","","","","","","","7","I 1 a 1","I -2ya","9","","[P2(IPr)2Br]2[SnBr6]*THF","","- C112 H152 Br8 N8 O P4 Sn -","- C112 H152 Br8 N8 O P4 Sn -","- C448 H608 Br32 N32 O4 P16 Sn4 -","4","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0303","0.0298","","","0.0838","0.0844","","","","","","1.045","","","","has coordinates","184564","2020-10-21","18:00:00",""
"1543710","12.6812","0.0002","17.073","0.0003","20.7995","0.0004","81.712","0.002","74.258","0.002","86.832","0.002","4288.43","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[P2(IPr)2][BArF]","","- C86 H84 B F24 N4 P2 -","- C86 H84 B F24 N4 P2 -","- C172 H168 B2 F48 N8 P4 -","2","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0571","0.0507","","","0.1318","0.1378","","","","","","1.049","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543711","29.394","0.001","5.619","0.0002","25.1528","0.001","90","","104.918","0.002","90","","4014.3","0.3","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Na O4.5 P S2 -","- C16 H21 Na O4.5 P S2 -","- C128 H168 Na8 O36 P8 S16 -","8","2","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0581","0.0532","","","0.1414","0.1449","","","","","","1.08","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543712","48.8875","0.0019","6.1721","0.0002","13.7803","0.0005","90","","103.831","0.003","90","","4037.5","0.3","100","2","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C89 H98 Cl2 N8 O8 P2 S2 -","- C89 H98 Cl2 N8 O8 P2 S2 -","- C178 H196 Cl4 N16 O16 P4 S4 -","2","0.5","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0517","0.0488","","","0.1288","0.1311","","","","","","1.042","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543713","18.1695","0.0007","9.2664","0.0004","22.3","0.0009","90","","101.881","0.003","90","","3674.1","0.3","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 B F4 O3 P2 Pt S3 -","- C36 H37 B F4 O3 P2 Pt S3 -","- C144 H148 B4 F16 O12 P8 Pt4 S12 -","4","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0708","0.0445","","","0.0989","0.1116","","","","","","1.017","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543714","12.3832","0.0006","12.7027","0.0006","13.6428","0.0006","79.884","0.003","76.218","0.003","63.75","0.003","1863.19","0.16","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","pyridinium BArF","","- C37 H18 B F24 N -","- C37 H18 B F24 N -","- C74 H36 B2 F48 N2 -","2","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","0.71073","MoKα","","0.0877","0.0636","","","0.1666","0.183","","","","","","1.06","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543723","11.8036","0.0009","21.3495","0.0016","7.9601","0.0006","90","","90","","90","","2006","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Li, Yang; Pan, Gao-Hui; Hu, Ming; Liu, Bang; Song, Ren-Jie; Li, Jin-Heng","Intermolecular Oxidative Decarbonylative [2+2+2] Carbocyclization of N-(2-Ethynylaryl)acrylamides with Tertiary Alkyl Aldehydes involving C(sp3)-H Functionalization","Chem. Sci.","2016","","","","","10.1039/C6SC02451C","","","0.71073","MoKα","","0.0496","0.0318","","","0.0656","0.0707","","","","","","1.004","","","","has coordinates","184594","2020-10-21","18:00:00",""
"1543724","8.984","0.005","10.648","0.006","18.894","0.01","90","","90","","90","","1807.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3,4-Tri-O-acetyl-6-deoxy-α-L-mannopyranos -1-yl) thiourea","","- C13 H20 N2 O7 S -","- C13 H20 N2 O7 S -","- C52 H80 N8 O28 S4 -","4","1","","Li, Xiang; Krafczyk, Ralph; Macosek, Jakub; Li, Yulei; Zou, Yan; Simon, Bernd; Pan, Xing; Wu, Qiuye; Yan, Fang; Hennig, Janosch; Jung, Kirsten; Lassak, Jürgen; Hu, Honggang","Resolving the α-Glycosidic Linkage of Arginine-Rhamnosylated Translation Elongation Factor P (EF-P) Triggers Generation of the First ArgRha Specific Antibody","Chem. Sci.","2016","","","","","10.1039/C6SC02889F","","","0.71073","MoKα","","0.0624","0.041","","","0.0809","0.086","","","","","","0.841","","","","has coordinates","184595","2020-10-21","18:00:00",""
"1543741","9.4679","0.0001","11.3192","0.0002","16.4547","0.0003","90.276","0.001","105.53","0.001","90.509","0.001","1698.94","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C72 H88 Cl4 N4 O8 -","4","2","","Poh, Jian-Siang; Lau, Shing-Hing; Dykes, Iain G.; Tran, Duc N.; Battilocchio, Claudio; Ley, Steven V.","A multicomponent approach for the preparation of homoallylic alcohols","Chem. Sci.","2016","7","11","6803","","10.1039/C6SC02581A","","","0.71073","MoKα","","0.0505","0.0386","","","0.0894","0.0962","","","","","","1.029","","","","has coordinates","188064","2020-10-21","18:00:00",""
"1543742","5.7221","0.0001","9.3754","0.0002","24.6691","0.0005","90","","90","","90","","1323.42","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0272","0.026","","","0.0653","0.0659","","","","","","1.071","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543743","6.1655","0.0002","9.5773","0.0003","24.0447","0.0008","90","","90","","90","","1419.81","0.08","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C52 H72 N8 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0332","0.0304","","","0.0712","0.0723","","","","","","1.031","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543744","6.0617","0.0002","7.1812","0.0002","35.5229","0.001","90","","90","","90","","1546.32","0.08","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0349","0.0323","","","0.0833","0.0849","","","","","","1.026","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543745","10.1061","0.0003","18.1581","0.0005","20.5423","0.0006","90","","90.228","0.001","90","","3769.64","0.19","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C176 H176 N16 O16 S8 -","8","2","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0424","0.0345","","","0.0821","0.088","","","","","","1.058","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543756","36.653","0.007","21.504","0.004","17.115","0.003","90","","98.833","0.007","90","","13330","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2Ni","","- C77 H77 Cl2.99 N6 Ni -","- C77.002 H77 Cl2.994 N6.002 Ni -","- C616.016 H616 Cl23.952 N48.016 Ni8 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0969","0.0768","","","0.226","0.2444","","","","","","1.047","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543757","21.181","0.007","10.751","0.004","29.482","0.01","90","","100.128","0.009","90","","6609","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3Ni","","- C84.5 H83 N5 Ni O -","- C84.5 H83 N5 Ni O -","- C338 H332 N20 Ni4 O4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0838","0.0714","","","0.1913","0.2075","","","","","","1.029","","","","has coordinates","196314","2020-10-21","18:00:00",""
"1543758","12.375","0.007","16.832","0.01","18.491","0.01","110.391","0.008","98.378","0.015","106.725","0.001","3325","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","6","","- C75 H77 Cl1.2 N5 Ni O1.3 -","- C75.001 H77.409 Cl1.227 N5 Ni O1.296 -","- C150.002 H154.818 Cl2.454 N10 Ni2 O2.592 -","2","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1029","0.0837","","","0.2257","0.2483","","","","","","1.092","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543759","18.141","0.003","20.0791","0.0019","20.299","0.002","62.0374","0.001","79.03","0.016","87.782","0.014","6400.6","1.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","8","","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C299 H295 Cl17 N20 Ni4 O4 -","4","2","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1256","0.0791","","","0.2204","0.2451","","","","","","1.045","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543760","57.941","0.006","57.941","0.006","10.6631","0.0012","90","","90","","90","","35798","7","93","2","93","2","","","","","","","","7","I 41/a","-I 4ad","88","","[8]+","","- C87 H101 Cl10 N5 Ni O Sb -","- C87 H101 Cl10 N5 Ni O Sb -","- C1392 H1616 Cl160 N80 Ni16 O16 Sb16 -","16","","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1022","0.0992","","","0.2675","0.2692","","","","","","1.079","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543761","72.72","0.009","13.4081","0.0016","33.152","0.004","90","","102.869","0.004","90","","31512","7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","9","","- C165 H150 Cl19 N10 Ni2 O5 -","- C165 H150 Cl19 N10 Ni2 O5 -","- C1320 H1200 Cl152 N80 Ni16 O40 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1197","0.0996","","","0.264","0.28","","","","","","1.064","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543762","27.888","0.011","9.758","0.003","29.846","0.011","90","","113.508","0.006","90","","7448","5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[9]+","","- C74.5 H76 Cl9 N5 Ni Sb -","- C74.5 H76 Cl9 N5 Ni Sb -","- C298 H304 Cl36 N20 Ni4 Sb4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1312","0.0826","","","0.213","0.2363","","","","","","1.004","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543763","5.1865","0.0003","9.3623","0.0005","40.6608","0.0018","90","","90","","90","","1974.39","0.18","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 Cl3 O3 -","- C17 H29 Cl3 O3 -","- C68 H116 Cl12 O12 -","4","1","","Saska, Jan; Lewis, William; Paton, Robert; Denton, Ross Matthew","Synthesis of Malhamensilipin A Exploiting Iterative Epoxidation/Chlorination: Experimental and Computational Analysis of Epoxide-Derived Chloronium Ions","Chem. Sci.","2016","","","","","10.1039/C6SC03012B","","","1.5418","CuKα","","0.0726","0.0638","","","0.1382","0.1414","","","","","","1.218","","","","has coordinates","184769","2020-10-21","18:00:00",""
"1543764","5.554","0.0006","8.7336","0.001","36.98","0.005","90","","90","","90","","1793.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 Cl2 O4 -","- C15 H28 Cl2 O4 -","- C60 H112 Cl8 O16 -","4","1","","Saska, Jan; Lewis, William; Paton, Robert; Denton, Ross Matthew","Synthesis of Malhamensilipin A Exploiting Iterative Epoxidation/Chlorination: Experimental and Computational Analysis of Epoxide-Derived Chloronium Ions","Chem. Sci.","2016","","","","","10.1039/C6SC03012B","","x-ray","1.54184","CuKα","","0.1504","0.1349","","","0.3369","0.3452","","","","","","1.084","","","","has coordinates","184769","2020-10-21","18:00:00",""
"1543770","14.343","0.005","14.782","0.005","18.878","0.005","102.538","0.005","103.764","0.005","97.046","0.005","3730","2","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H79.5 F12 N8.5 O5 P2 Zn -","- C74 H73.5 F12 N8.5 O5 P2 Zn -","- C148 H147 F24 N17 O10 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.0941","0.0797","","","0.2223","0.2472","","","","","","1.034","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543771","13.732","0.005","15.892","0.005","19.26","0.005","103.178","0.005","90.598","0.005","91.07","0.005","4091","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C170 H151 F24 N21 O8 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1523","0.0847","","","0.2259","0.2587","","","","","","1.005","","","","has coordinates","196313","2020-10-21","18:00:00",""
"1543772","5.559","0.005","11.24","0.005","13.638","0.005","75.767","0.005","83.93","0.005","81.445","0.005","814.7","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","1","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1104","0.0661","","","0.157","0.1861","","","","","","1.042","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543854","14.17","0.0007","14.2848","0.0007","25.4039","0.0012","90","","95.518","0.002","90","","5118.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Gd2 K N4 Si8 -","- C31 H79 Gd2 K N4 Si8 -","- C124 H316 Gd8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0544","0.033","","","0.0626","0.0725","","","","","","1.055","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543855","14.1259","0.0004","14.2954","0.0004","25.2343","0.0006","90","","95.2741","0.0013","90","","5074.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Dy2 K N4 Si8 -","- C31 H79 Dy2 K N4 Si8 -","- C124 H316 Dy8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0424","0.0299","","","0.0642","0.0693","","","","","","1.019","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543856","14.0946","0.0007","14.2965","0.0008","25.1055","0.0013","90","","95.17","0.003","90","","5038.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Er2 K N4 Si8 -","- C31 H79 Er2 K N4 Si8 -","- C124 H316 Er8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0648","0.0443","","","0.112","0.1336","","","","","","1.063","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543857","20.1042","0.0007","18.7574","0.0006","16.5696","0.0006","90","","107.851","0.0017","90","","5947.6","0.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H95 Er2 K N4 O2 Si8 -","- C39 H95 Er2 K N4 O2 Si8 -","- C156 H380 Er8 K4 N16 O8 Si32 -","4","0.5","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0438","0.0384","","","0.1251","0.1325","","","","","","1.071","","","","has coordinates,has disorder","196320","2020-10-21","18:00:00",""
"1543891","7.6555","0.0003","13.0617","0.0005","16.9622","0.0005","90","","96.793","0.003","90","","1684.21","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N O2 Rh -","- C18 H22 N O2 Rh -","- C72 H88 N4 O8 Rh4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.0451","0.0425","","","0.1095","0.1137","","","","","","1.028","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543892","7.3899","0.0001","13.5531","0.0002","32.123","0.002","90","","90","","90","","3217.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 O S2 -","- C20 H12 N2 O S2 -","- C160 H96 N16 O8 S16 -","8","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54187","CuKα","","0.1153","0.0684","","","0.1715","0.2246","","","","","","1.095","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543893","4.7941","0.0007","15.333","0.002","17.698","0.003","90","","90","","90","","1300.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chenying","cy-P3-NHAc-thiazole","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","0.71073","MoKα","","0.0895","0.0567","","","0.1193","0.1374","","","","","","1.042","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543894","4.6897","0.0007","12.449","0.003","15.119","0.004","109.35","0.02","96.794","0.016","99.101","0.016","808.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","cy-hybrid-P2","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C42 H28 N4 O4 S2 -","2","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.1509","0.1127","","","0.2996","0.3289","","","","","","1.188","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543905","18.3767","0.0016","8.6094","0.0007","31.158","0.003","90","","100.972","0.005","90","","4839.5","0.7","100","","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium cobalt bis-dmit","","- C38 H72 Co N2 S10 -","- C38 H72 Co N2 S10 -","- C152 H288 Co4 N8 S40 -","4","0.5","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","x-ray","0.71073","MoKα","","0.0941","0.0586","","","0.0971","0.1069","","","","","","1.119","","","","has coordinates","185847","2020-10-21","18:00:00",""
"1543906","9.6545","0.0004","20.7093","0.001","35.6868","0.0014","90","","90.969","0.003","90","","7134.1","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(triphenylphosphine)iminium]2[Co(dmit)2]","","- C78 H60 Co N2 P4 S10 -","- C78 H60 Co N2 P4 S10 -","- C312 H240 Co4 N8 P16 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","1.54178","CuKα","","0.0656","0.0454","","","0.1041","0.118","","","","","","1.053","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543907","9.8761","0.0016","17.519","0.003","37.155","0.006","90","","92.211","0.005","90","","6423.7","1.8","100","2","99.88","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(18-crown-6)K]2[Co(dmit)2]","","- C46 H80 Co K2 O16 S10 -","- C46 H79 Co K2 O16 S10 -","- C184 H316 Co4 K8 O64 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","0.71073","MoKα","","0.1324","0.0888","","","0.2647","0.3075","","","","","","1.098","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543908","40.091","0.005","7.8348","0.0009","16.111","0.002","90","","113.26","0.008","90","","4649.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C208 H256 N16 O16 -","8","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0668","0.044","","","0.1183","0.1357","","","","","","1.018","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543909","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543910","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543911","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543912","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543913","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543914","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543915","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543941","10.9852","0.0007","20.5331","0.0014","19.4487","0.0013","90","","91.193","0.006","90","","4385.9","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H14 O2 -","- C82 H14 O2 -","- C328 H56 O8 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1649","0.1491","","","0.3966","0.4125","","","","","","1.079","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543942","26.123","0.004","26.123","0.004","14.146","0.002","90","","90","","90","","9653","2","93","2","93","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C88 H24 O4 -","- C88 H24 O4 -","- C704 H192 O32 -","8","0.5","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1284","0.1177","","","0.4081","0.4472","","","","","","1.077","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543943","10.147","0.0016","23.719","0.004","21.227","0.004","90","","102.193","0.002","90","","4993.6","1.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C91 H31 O4 -","- C91 H31 O4 -","- C364 H124 O16 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","0.7107","MoKα","","0.072","0.0616","","","0.153","0.1624","","","","","","1.056","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543944","5.5852","0.0004","15.8761","0.0011","24.5341","0.0016","90","","90","","90","","2175.5","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br Cl3 N2 O7 P -","- C16 H11 Br Cl3 N2 O7 P -","- C64 H44 Br4 Cl12 N8 O28 P4 -","4","1","","Ray Choudhury, Abhijnan; Mukherjee, Santanu","Enantioselective dearomatization of isoquinolines by anion-binding catalysis en route to cyclic α-aminophosphonates","Chem. Sci.","2016","","","","","10.1039/C6SC02466A","","","0.71073","MoKα","","0.0478","0.0377","","","0.0831","0.0868","","","","","","1.043","","","","has coordinates,has disorder","185910","2020-10-21","18:00:00",""
"1543947","10.5808","0.0004","13.0767","0.0005","14.3976","0.0006","93.447","0.003","106.228","0.004","97.527","0.003","1886.41","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","1","Ir1","","- C37 H28 Cl2 F10 Ir N4 O P -","- C37 H28 Cl2 F10 Ir N4 O P -","- C74 H56 Cl4 F20 Ir2 N8 O2 P2 -","2","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.0377","0.0318","","","0.0731","0.0774","","","","","","1.064","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543948","9.3965","0.0001","39.4086","0.0006","9.8195","0.0002","90","","104.761","0.002","90","","3516.18","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C140 H104 Cl8 F40 Ir4 N16 O8 P4 -","4","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","0.71073","MoKα","","0.0325","0.0264","","","0.0459","0.0476","","","","","","1.136","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543949","39.1832","0.0011","9.6185","0.0002","19.2745","0.0005","90","","109.894","0.002","90","","6830.7","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C272 H220 F24 Ir8 N32 O16 P4 -","8","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.044","0.0369","","","0.0953","0.1039","","","","","","1.02","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1544001","15.505","0.0005","34.4906","0.001","17.2521","0.0005","90","","112.99","0.0017","90","","8493.2","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H70 O -","- C88 H70 O -","- C352 H280 O4 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1182","0.0843","","","0.2088","0.2232","","","","","","1.09","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544002","7.5395","0.0005","34.5192","0.0018","11.7823","0.0006","90","","100.084","0.003","90","","3019.1","0.3","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H28 O5 -","- C47 H28 O5 -","- C188 H112 O20 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1218","0.0613","","","0.1171","0.1404","","","","","","1.017","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544003","11.664","0.002","12.471","0.002","13.809","0.003","116.004","0.015","114.439","0.013","91.219","0.014","1592.4","0.6","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H22 Cl2 O5 -","- C45 H24 O5 -","- C90 H48 O10 -","2","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1575","0.0718","","","0.154","0.1814","","","","","","0.925","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544004","13.1702","0.0008","17.3964","0.0012","17.5084","0.0011","63.486","0.005","70.365","0.004","81.999","0.004","3380.5","0.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 O5 -","- C47 H26 O5 -","- C188 H104 O20 -","4","2","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1842","0.0779","","","0.1537","0.1873","","","","","","0.849","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544005","6.5174","0.0004","9.8469","0.0005","10.3476","0.0005","113.309","0.005","95.997","0.005","104.217","0.005","575.83","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C2.545 H1.636 N0.364 O0.182 -","- C2.54545 H1.63636 N0.363636 O0.181818 -","- C28 H18 N4 O2 -","11","5.5","","Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong","Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission.","Chemical science","2017","8","1","577","582","10.1039/c6sc02875f","","","1.54184","CuKα","","0.0455","0.0418","","","0.1135","0.1177","","","","","","1.0717","","","","has coordinates","196312","2020-10-21","18:00:00",""
"1544006","16.7564","0.0006","15.4421","0.0006","21.3159","0.0008","90","","96.792","0.0015","90","","5476.9","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{Na(12-C-4)2}{(PNP)NiCOO}","","","- C51 H88 N Na Ni O14 P2 -","- C51 H88 N Na Ni O14 P2 -","- C204 H352 N4 Na4 Ni4 O56 P8 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1158","0.0585","","","0.1334","0.1566","","","","","","1.025","","","","has coordinates,has disorder","191539","2020-10-21","18:00:00",""
"1544007","10.1896","0.0005","26.231","0.0013","20.6309","0.001","90","","100.088","0.0017","90","","5429.1","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(PNP)NiCOOFe(PNP)","","","- C53 H80 Fe N2 Ni O2 P4 -","- C53 H80 Fe N2 Ni O2 P4 -","- C212 H320 Fe4 N8 Ni4 O8 P16 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1049","0.0527","","","0.1016","0.1093","","","","","","1.307","","","","has coordinates","191539","2020-10-21","18:00:00",""
"1544031","38.3207","0.0002","38.3207","0.0002","38.3207","0.00002","90","","90","","90","","56273","0.4","173","2","173","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C576 H288 Cl12 Hf48 Ir12 N48 O256 -","4","0.0416667","","Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong","Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity.","Chemical science","2017","8","1","775","780","10.1039/c6sc03288e","","","1.54184","CuKα","","0.1011","0.0991","","","0.2464","0.2476","","","","","","1.017","","","","has coordinates","196316","2020-10-21","18:00:00",""
"1544032","5.5352","0.0001","13.7138","0.0002","17.7912","0.0003","68.191","0.001","82.836","0.001","80.889","0.001","1234.83","0.04","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","4H4TIDIDF","","- C27 H32 F N S2 -","- C27 H32 F N S2 -","- C54 H64 F2 N2 S4 -","2","1","","Cho, Illhun; Jeon, Nam Joong; Kwon, Oh Kyu; Kim, Dong Won; Jung, Eui Hyuk; Noh, Jun Hong; Seo, Jangwon; Seok, Sang Il; Park, Soo Young","Indolo[3,2-b]indole-based crystalline hole-transporting material for highly efficient perovskite solar cells.","Chemical science","2017","8","1","734","741","10.1039/c6sc02832b","","","0.71073","MoKα","","0.1261","0.0756","","","0.244","0.2884","","","","","","1.084","","","","has coordinates","196317","2020-10-21","18:00:00",""
"1544038","10.0156","0.0005","10.1116","0.0003","29.1958","0.001","92.445","0.002","96.7","0.003","104.735","0.003","2831.9","0.2","140","2","140.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 N2 O4 S4 -","- C45.9293 H28 N1.33333 O3.28 S2.66667 -","- C137.788 H84 N4 O9.84 S8 -","3","1.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1266","0.0686","","","0.1614","0.1949","","","","","","1.048","","","","has coordinates,has disorder","186281","2020-10-21","18:00:00",""
"1544039","19.904","0.002","8.9529","0.0011","24.941","0.002","90","","90","","90","","4444.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 N2 O4 S2 -","- C50 H40 N2 O6 S2 -","- C200 H160 N8 O24 S8 -","4","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1621","0.0763","","","0.1734","0.2315","","","","","","1.153","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544040","11.0264","0.0006","10.3433","0.0014","17.0214","0.0017","90","","93.313","0.005","90","","1938","0.3","120","2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N2 O4 S2 -","- C46 H38 N2 O4 S2 -","- C92 H76 N4 O8 S4 -","2","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.0787","0.0525","","","0.1177","0.1336","","","","","","1.164","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544041","12.7253","0.0004","8.8911","0.0003","37.7183","0.0012","90","","94.23","0.002","90","","4255.9","0.2","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dithienylbenzenedithiophene bis(platinum bisacetylide)","","- C86 H126 P4 Pt2 S4 -","- C86 H126 P4 Pt2 S4 -","- C172 H252 P8 Pt4 S8 -","2","0.5","","He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Yang, Jianzhong; Quinnett, Rachel; Rack, Jeffrey J.; Wu, Qin; Qin, Yang","A “roller-wheel” Pt-containing small molecule that outperforms its polymer analogs in organic solar cells","Chem. Sci.","2016","7","9","5798","","10.1039/C6SC00513F","","","0.71073","MoKα","","0.0796","0.0446","","","0.0875","0.0986","","","","","","1.013","","","","has coordinates,has disorder","186282","2020-10-21","18:00:00",""
"1544042","22.6505","0.0006","11.2352","0.0003","12.7961","0.0003","90","","90","","90","","3256.39","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H33 Ca2 N3 O12 S2 -","- C24 H33 Ca2 N3 O12 S2 -","- C96 H132 Ca8 N12 O48 S8 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","1.54184","CuKα","","0.0431","0.041","","","0.0952","0.0967","","","","","","1.081","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544043","6.5562","0.0002","10.6424","0.0005","18.2951","0.0006","90","","98.07","0.003","90","","1263.88","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ca N O6 S -","- C10 H13 Ca N O6 S -","- C40 H52 Ca4 N4 O24 S4 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","0.71073","MoKα","","0.0473","0.0345","","","0.0692","0.0777","","","","","","1.065","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544044","11.145","0.0007","24.8685","0.0014","20.3023","0.0012","90","","105.745","0.002","90","","5415.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C136.5 H112 Cl4 N10 O2 -","- C136.5 H112 Cl4 N10 O2 -","- C273 H224 Cl8 N20 O4 -","2","0.5","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1263","0.0952","","","0.2438","0.2659","","","","","","1.113","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1544045","24.3201","0.0018","40.885","0.003","24.8903","0.0017","90","","107.986","0.002","90","","23540","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C283.25 H228 Cl5.25 N36.75 O4 -","- C283.25 H228 Cl5.25 N36.75 O4 -","- C1133 H912 Cl21 N147 O16 -","4","1","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1321","0.0983","","","0.2594","0.2989","","","","","","1.09","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1544138","6.003","0.006","14.84","0.03","28.93","0.03","90","","90","","90","","2577","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Marek99 (Zack)","Benzyl (S)-4-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)-4-methyl-2-methyleneoctanoate","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C112 H132 N4 O20 -","4","1","","Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan","Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres.","Chemical science","2017","8","1","627","630","10.1039/c6sc03036j","","","0.71073","MoKα","","0.0611","0.046","","","0.1174","0.1403","","","","","","1.07","","","","has coordinates","196318","2020-10-21","18:00:00",""
"1544149","10.1634","0.0002","14.7985","0.0003","17.1628","0.0004","96.74","0.001","97.62","0.001","105.399","0.001","2435.05","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H43 B2 Cl2 F20 P -","- C47 H43 B2 Cl2 F20 P -","- C94 H86 B4 Cl4 F40 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.09","0.0653","","","0.1233","0.1407","","","","","","1.081","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544150","13.061","0.002","22.03","0.004","18.545","0.004","90","","91.787","0.007","90","","5333.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 B2 Cl2 F20 O2 P -","- C48 H41 B2 Cl2 F20 O2 P -","- C192 H164 B8 Cl8 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.0796","0.0604","","","0.1473","0.1585","","","","","","1.065","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544151","16.4031","0.0016","6.7783","0.0006","25.0981","0.0019","90","","98.45","0.005","90","","2760.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.1257","0.0595","","","0.1248","0.1564","","","","","","0.977","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544152","10.7742","0.0005","9.7124","0.0004","26.4759","0.0011","90","","97.347","0.001","90","","2747.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0493","0.0359","","","0.0817","0.0885","","","","","","1.044","","","","has coordinates","196357","2020-10-21","18:00:00",""
"1544153","13.0097","0.0005","21.1601","0.0009","17.7134","0.0007","90","","110.035","0.001","90","","4581.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 B2 Cl2 F20 P -","- C42 H39 B2 Cl2 F20 P -","- C168 H156 B8 Cl8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0745","0.0641","","","0.1575","0.1641","","","","","","1.059","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544154","12.8848","0.0007","21.515","0.001","17.7497","0.0008","90","","109.796","0.001","90","","4629.7","0.4","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 B2 F20 P -","- C41 H37 B2 F20 P -","- C164 H148 B8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0876","0.0589","","","0.1431","0.155","","","","","","1.047","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544155","12.8388","0.0005","20.0253","0.0006","18.7529","0.0006","90","","97.393","0.001","90","","4781.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 B2 Cl4 F20 O2 P -","- C44 H39 B2 Cl4 F20 O2 P -","- C176 H156 B8 Cl16 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0572","0.0422","","","0.0985","0.1067","","","","","","1.053","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544156","10.0179","0.0003","11.2774","0.0005","19.6359","0.0011","89.016","0.003","87.552","0.003","73.104","0.002","2120.66","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 B2 F20 O2 P -","- C42 H35 B2 F20 O2 P -","- C84 H70 B4 F40 O4 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.2388","0.1348","","","0.2279","0.2746","","","","","","1.086","","","","has coordinates","196357","2020-10-21","18:00:00",""
"1544157","17.771","0.002","17.771","0.002","27.217","0.002","90","","90","","120","","7443.8","1.3","170","2","170.15","","","","","","","","","4","R -3","-R 3","148","","","","- C54 H126 Au25 S18 -","- C54 H126 Au25 S18 -","- C162 H378 Au75 S54 -","3","","","Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano; Gascon, Jose; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio","A Magnetic Look into the Protecting Layer of Au25Clusters","Chem. Sci.","2016","","","","","10.1039/C6SC03691K","","x-ray","0.71073","MoKα","","0.0871","0.0474","","","0.0798","0.0935","","","","","","0.986","","","","has coordinates,has disorder","186646","2020-10-21","18:00:00",""
"1544158","12.469","0.003","17.723","0.004","15.596","0.004","90","","112.991","0.004","90","","3172.8","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F4 I N4 O -","- C34 H33 F4 I N4 O -","- C136 H132 F16 I4 N16 O4 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0589","0.0507","","","0.1227","0.1254","","","","","","0.954","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544159","8.4431","0.0006","11.7892","0.0012","31.416","0.003","90","","90","","90","","3127.1","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 F4 I N3 O2 -","- C32 H34 F4 I N3 O2 -","- C128 H136 F16 I4 N12 O8 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0265","0.0245","","","0.0624","0.0634","","","","","","1.046","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544160","20.258","0.003","13.9884","0.0013","26.734","0.004","90","","103.187","0.01","90","","7376","1.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H42 F4 I N5 O -","- C37 H42 F4 I N5 O -","- C296 H336 F32 I8 N40 O8 -","8","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0695","0.0387","","","0.0761","0.0882","","","","","","1.028","","","","has coordinates,has disorder","191516","2020-10-21","18:00:00",""
"1544161","25.213","0.007","13.978","0.003","27.637","0.007","90","","112.879","0.004","90","","8974","4","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 F4 I N3 O -","- C29 H28 F4 I N3 O -","- C348 H336 F48 I12 N36 O12 -","12","3","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.1938","0.1077","","","0.2707","0.3145","","","","","","1.043","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544162","29.2891","0.0019","29.2891","0.0019","18.1917","0.0013","90","","90","","90","","15605.8","1.8","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C29 H34 N2 O6 S -","- C29 H34 N2 O6 S -","- C464 H544 N32 O96 S16 -","16","","","Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B.","Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry.","Chemical science","2017","8","1","697","700","10.1039/c6sc03578g","","","1.54178","CuKα","","0.1707","0.069","","","0.1637","0.219","","","","","","1.014","","","","has coordinates","196321","2020-10-21","18:00:00",""
"1544182","28.1117","0.0011","20.1279","0.0006","22.8674","0.001","90","","105.985","0.003","90","","12438.7","0.8","180.15","","180.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H192 Dy4 N12 O24 -","- C105 H192 Dy4 N12 O24 -","- C420 H768 Dy16 N48 O96 -","4","0.5","","Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario","Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet.","Chemical science","2017","8","2","1178","1185","10.1039/c6sc03184f","","x-ray","0.71073","MoKα","","0.0922","0.0723","","","0.187","0.2095","","","","","","1.002","","","","has coordinates,has disorder","196351","2020-10-21","18:00:00",""
"1544183","30.5846","0.0016","15.6055","0.0008","25.1965","0.0013","90","","129.98","0.002","90","","9215.1","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H136 N6 P4 Ti2 -","- C100 H136 N6 P4 Ti2 -","- C400 H544 N24 P16 Ti8 -","4","0.5","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.1055","0.0646","","","0.1376","0.1563","","","","","","1.055","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544184","18.5929","0.0008","12.9042","0.0005","22.7421","0.0014","90","","98.499","0.002","90","","5396.5","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C110 H176 N6 P6 Ti2 -","- C110 H176 N6 P6 Ti2 -","- C220 H352 N12 P12 Ti4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0748","0.0662","","","0.1786","0.189","","","","","","1.058","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544185","30.336","0.002","12.1037","0.001","29.271","0.002","90","","118.588","0.004","90","","9437.3","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H71 N3 P2 Si Ti -","- C47 H71 N3 P2 Si Ti -","- C376 H568 N24 P16 Si8 Ti8 -","8","2","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0637","0.0506","","","0.1214","0.1276","","","","","","1.127","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544186","15.3708","0.001","12.8618","0.0008","23.2563","0.0015","90","","92.737","0.004","90","","4592.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72.8 N3 O P2 Ti -","- C44 H62.8 N3 P2 Ti -","- C176 H251.2 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0565","0.0418","","","0.0951","0.102","","","","","","1.037","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544187","13.5295","0.0004","19.597","0.0006","16.8163","0.0005","90","","111.694","0.002","90","","4142.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N2 O P2 Ti -","- C44 H62 N2 O P2 Ti -","- C176 H248 N8 O4 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0881","0.0582","","","0.1332","0.1504","","","","","","1.036","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544188","12.7371","0.0006","14.7015","0.0007","26.1005","0.0012","90","","90","","90","","4887.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H77 N3 P2 Ti -","- C50 H77 N3 P2 Ti -","- C200 H308 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0647","0.0589","","","0.1456","0.1483","","","","","","1.142","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544196","8.5035","0.0002","7.1303","0.0002","23.6793","0.0006","90","","95.742","0.0012","90","","1428.53","0.06","100","2","99.77","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Semakul, Natthawat; Jackson, Kelvin E.; Paton, Robert S.; Rovis, Tomislav","Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation.","Chemical science","2017","8","2","1015","1020","10.1039/c6sc02587k","","","0.71073","MoKα","","0.135","0.0685","","","0.1558","0.1811","","","","","","1.033","","","","has coordinates","196355","2020-10-21","18:00:00",""
"1544197","9.1646","0.0003","10.8129","0.0004","17.358","0.0008","86.495","0.006","85.651","0.006","84.191","0.006","1703.87","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 B2 F8 N5 O Pd -","- C34 H33 B2 F8 N5 O Pd -","- C68 H66 B4 F16 N10 O2 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1223","0.0954","","","0.2392","0.2774","","","","","","1.047","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544198","8.88787","0.00016","10.65997","0.00019","12.1038","0.0002","101.284","0.007","100.453","0.007","102.182","0.007","1069.19","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","1","0.5","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0617","0.0541","","","0.1382","0.1453","","","","","","1.15","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544199","13.2547","0.0002","14.2678","0.0003","15.5271","0.0003","95.506","0.007","93.223","0.007","105.522","0.007","2805.98","0.14","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H55 B2 F8 N6 O2 Pd -","- C60 H55 B2 F8 N6 O2 Pd -","- C120 H110 B4 F16 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.111","0.0858","","","0.2357","0.2542","","","","","","1.112","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544200","11.3565","0.0002","11.5389","0.0002","15.0221","0.0003","90","","107.367","0.008","90","","1878.78","0.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0636","0.0575","","","0.1571","0.1613","","","","","","1.071","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544201","12.2208","0.0005","12.9781","0.0004","15.6515","0.0003","90.05","0.002","96.32","0.002","117.495","0.003","2184.84","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F N3 O -","- C27 H20 F N3 O -","- C108 H80 F4 N12 O4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0398","0.0358","","","0.0996","0.102","","","","","","1.058","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544202","18.8592","0.0004","7.68843","0.00016","18.4442","0.0003","90","","114.263","0.008","90","","2438.14","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1009","0.055","","","0.1637","0.1747","","","","","","1.047","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544203","10.7056","0.0003","16.7664","0.0004","18.6108","0.0005","97.072","0.007","99.663","0.007","102.242","0.007","3174.3","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 F2 N6 O2 Pd -","- C54 H40 F2 N6 O2 Pd -","- C108 H80 F4 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0797","0.0659","","","0.1948","0.2041","","","","","","1.117","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544204","15.7265","0.0003","20.4033","0.0004","21.0479","0.0003","82.8458","0.0015","82.6021","0.0016","69.0081","0.0018","6230.5","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C228 H166 F32 N26 O32 S8 Zn4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","0.71073","MoKα","","0.0818","0.0721","","","0.1973","0.2052","","","","","","1.02","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544205","13.283","0.002","13.585","0.002","7.6811","0.0013","90","","90","","90","","1386.1","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0417","0.038","","","0.0873","0.0897","","","","","","1.091","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544206","10.4599","0.0018","13.687","0.002","10.111","0.0017","90","","116.27","0.003","90","","1298","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Au I2 N -","- C13 H8 Au I2 N -","- C52 H32 Au4 I8 N4 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0401","0.0341","","","0.0849","0.0878","","","","","","1.067","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544207","14.26","0.009","20.667","0.013","14.033","0.009","90","","104.38","0.01","90","","4006","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Au F6 I N2 Sb -","- C18 H13 Au F6 I N2 Sb -","- C144 H104 Au8 F48 I8 N16 Sb8 -","8","2","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0875","0.0598","","","0.1414","0.1587","","","","","","1.044","","","","has coordinates,has disorder","191524","2020-10-21","18:00:00",""
"1544209","10.6057","0.0011","13.3692","0.0018","14.5882","0.0017","80.422","0.01","78.548","0.011","70.256","0.009","1897","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","1","0.5","","Park, In Seob; Komiyama, Hideaki; Yasuda, Takuma","Pyrimidine-based twisted donor-acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence.","Chemical science","2017","8","2","953","960","10.1039/c6sc03793c","","","0.71075","MoKα","","0.0927","0.0731","","","0.1727","0.1862","","","","","","1.071","","","","has coordinates","196347","2020-10-21","18:00:00",""
"1544210","10.857","0.002","15.141","0.003","17.359","0.003","108.566","0.004","96.63","0.004","96.91","0.004","2649.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H22 F14 N2 Na O7 -","- C42 H22 F14 N2 Na O7 -","- C84 H44 F28 N4 Na2 O14 -","2","1","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.1361","0.0695","","","0.1813","0.2064","","","","","","0.872","","","","has coordinates,has disorder","191515","2020-10-21","18:00:00",""
"1544211","7.5465","0.0013","7.9565","0.0014","22.733","0.004","84.375","0.004","89.317","0.004","72.275","0.004","1293.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H5 F6 N O2 -","- C14 H5 F6 N O2 -","- C56 H20 F24 N4 O8 -","4","2","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.0942","0.0673","","","0.1822","0.2054","","","","","","1.035","","","","has coordinates,has disorder","191515","2020-10-21","18:00:00",""
"1544221","12.6607","0.0006","15.4354","0.0007","16.1838","0.0009","101.482","0.003","112.975","0.002","93.732","0.002","2817.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","PyrCu(II)-nitrophenoxide","","- C57 H87 Cu N5 O6 -","- C57 H87 Cu N5 O6 -","- C114 H174 Cu2 N10 O12 -","2","1","","Dhar, Debanjan; Yee, Gereon M.; Markle, Todd F.; Mayer, James M.; Tolman, William B.","Reactivity of the copper(iii)-hydroxide unit with phenols","Chem. Sci.","2017","8","2","1075","","10.1039/C6SC03039D","","","1.54178","CuKα","","0.0478","0.0408","","","0.0983","0.1036","","","","","","1.025","","","","has coordinates","191504","2020-10-21","18:00:00",""
"1544232","6.848","0.0001","20.4301","0.0003","17.057","0.0002","90","","90.304","0.0011","90","","2386.33","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F3 N3 O4 S2 -","- C25 H20 F3 N3 O4 S2 -","- C100 H80 F12 N12 O16 S8 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0326","0.0313","","0.0824","0.0812","0.0824","","","","","","0.9995","","","","has coordinates","196345","2020-10-21","18:00:00",""
"1544233","7.4653","0.0002","9.9343","0.0004","17.6618","0.0005","89.239","0.003","85.681","0.002","72.865","0.003","1248.09","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F3 N3 O4 S2 -","- C26 H22 F3 N3 O4 S2 -","- C52 H44 F6 N6 O8 S4 -","2","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0363","0.0358","","0.0978","0.097","0.0978","","","","","","1.0039","","","","has coordinates","196345","2020-10-21","18:00:00",""
"1544234","15.2695","0.0004","5.9545","0.0002","19.0281","0.0007","90","","91.54","0.003","90","","1729.45","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.1033","0.0976","","0.2648","0.258","0.2648","","","","","","0.9831","","","","has coordinates,has disorder","196345","2020-10-21","18:00:00",""
"1544235","6.05221","0.00008","17.0223","0.0003","19.5981","0.0003","90","","90","","90","","2019.05","0.05","217.05","0.1","217.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0546","0.0524","","","0.1425","0.147","","","","","","1.045","","","","has coordinates","196344","2020-10-21","18:00:00",""
"1544236","9.20362","0.00017","10.9688","0.0003","19.3712","0.0004","90","","100.345","0.002","90","","1923.79","0.08","295.1","0.5","295.1","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","2","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0558","0.0532","","","0.1488","0.1523","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544237","19.3566","0.0003","15.6297","0.0002","20.726","0.0003","90","","90","","90","","6270.4","0.16","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Dy2 O8 -","- C64 H102 Dy2 O8 -","- C256 H408 Dy8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0385","0.0252","","","0.0539","0.0616","","","","","","1.142","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544238","19.3525","0.0005","15.6285","0.0003","20.6896","0.0005","90","","90","","90","","6257.6","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 O8 Y2 -","- C64 H102 O8 Y2 -","- C256 H408 O32 Y8 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0696","0.0373","","","0.0735","0.0831","","","","","","1.026","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544239","19.3419","0.0003","15.68151","0.00018","20.772","0.0003","90","","90","","90","","6300.36","0.15","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Gd2 O8 -","- C64 H102 Gd2 O8 -","- C256 H408 Gd8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0373","0.0237","","","0.0471","0.0535","","","","","","1.138","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544247","14.7815","0.0005","9.0701","0.0003","21.2106","0.0008","90","","106.718","0.004","90","","2723.5","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOFTPE3N","","","- C26 H17 N3 O6 -","- C26 H17 N3 O6 -","- C104 H68 N12 O24 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0707","0.0572","","","0.1601","0.1729","","","","","","1.073","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544248","19.9155","0.0002","19.9155","0.0002","13.4286","0.0002","90","","90","","90","","5326.15","0.11","173","2","173","2","","","","","","","","4","P 42/n","-P 4bc","86","HOFTPE4N","","","- C26 H16 N4 O8 -","- C26 H16 N4 O8 -","- C208 H128 N32 O64 -","8","","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54178","CuKα","","0.0644","0.0528","","","0.147","0.1594","","","","","","1.06","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544249","10.52308","0.00018","8.79827","0.00018","22.9441","0.0004","90","","95.4899","0.0016","90","","2114.53","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O4 -","- C26 H18 N2 O4 -","- C104 H72 N8 O16 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0458","0.0411","","","0.1123","0.1161","","","","","","1.063","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544257","23.272","0.004","9.7485","0.0017","37.173","0.006","90","","94.149","0.002","90","","8411","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Na O6 Si4 -","- C37 H59 Na O6 Si4 -","- C296 H472 Na8 O48 Si32 -","8","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0779","0.0465","","","0.1045","0.1178","","","","","","1.035","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544258","9.531","0.005","17.403","0.008","15.039","0.007","90","","90.873","0.006","90","","2494","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H39 Li O6 Si3 -","- C16 H39 Li O6 Si3 -","- C64 H156 Li4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.2205","0.0762","","","0.1172","0.1585","","","","","","0.949","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544259","15.729","0.002","9.9209","0.0013","17.212","0.002","90","","90.3515","0.0014","90","","2685.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H39 Ge Na O6 Si3 -","- C15 H39 Ge Na O6 Si3 -","- C60 H156 Ge4 Na4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0369","0.0266","","","0.0645","0.0682","","","","","","1.035","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544260","8.141","0.002","19.245","0.006","16.727","0.005","90","","90.528","0.004","90","","2620.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H39 Ge K O6 Si3 -","- C15 H39 Ge K O6 Si3 -","- C60 H156 Ge4 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1094","0.096","","","0.2123","0.2175","","","","","","1.279","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544261","8.698","0.006","18.417","0.012","16.289","0.011","90","","90.2","0.01","90","","2609","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 K O6 Si3 -","- C16 H39 K O6 Si3 -","- C64 H156 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1153","0.0699","","","0.1627","0.1863","","","","","","0.936","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544262","5.2167","0.0007","10.4562","0.0012","18.815","0.003","90","","90","","90","","1026.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian","Rh(iii)-catalyzed double C‒H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis","Chem. Sci.","2017","8","2","1303","","10.1039/C6SC03888C","","","0.71073","MoKα","","0.0379","0.035","","","0.0828","0.0838","","","","","","1.146","","","","has coordinates","191528","2020-10-21","18:00:00",""
"1544277","10.0682","0.0002","13.5159","0.0002","14.7514","0.0002","90","","92.352","0.001","90","","2005.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 I O P2 -","- C17 H31 I O P2 -","- C68 H124 I4 O4 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0465","0.0395","","","0.1013","0.1071","","","","","","1.078","","","","has coordinates,has disorder","191523","2020-10-21","18:00:00",""
"1544278","8.4848","0.0002","12.9532","0.0003","14.0671","0.0003","90","","105.04","0.001","90","","1493.09","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 P2 -","- C14 H26 P2 -","- C56 H104 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0421","0.0381","","","0.1018","0.1067","","","","","","1.074","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544279","23.5655","0.0016","10.2998","0.0007","20.9628","0.0014","90","","98.051","0.002","90","","5037.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl6 I2 P2 -","- C14 H22 Cl6 I2 P2 -","- C112 H176 Cl48 I16 P16 -","8","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.0248","0.0204","","","0.0482","0.0503","","","","","","1.046","","","","has coordinates,has disorder","191523","2020-10-21","18:00:00",""
"1544280","9.6408","0.0009","12.6202","0.0012","22.256","0.002","90","","90","","90","","2707.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 Ni O2 P2 -","- C27 H46 Ni O2 P2 -","- C108 H184 Ni4 O8 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.061","0.0477","","","0.1111","0.1182","","","","","","1.01","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544285","9.3816","0.0004","6.7781","0.0003","16.9307","0.0006","90","","99.5145","0.0011","90","","1061.8","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens","A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases.","Chemical science","2017","8","2","1337","1343","10.1039/c6sc03482a","","","0.71073","MoKα","","0.0617","0.047","","","0.1287","0.1397","","","","","","1.044","","","","has coordinates","196349","2020-10-21","18:00:00",""
"1544287","10.4706","0.0012","22.65","0.003","19.939","0.002","90","","98.7248","0.0016","90","","4674","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 P3 Rh -","- C50 H86 P3 Rh -","- C200 H344 P12 Rh4 -","4","1","","Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu","Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide","Chem. Sci.","2017","8","2","1454","","10.1039/C6SC03838G","","","0.71075","MoKα","","0.0693","0.0567","","","0.1364","0.1462","","","","","","1.074","","","","has coordinates","191514","2020-10-21","18:00:00",""
"1544314","8.4616","0.0004","11.5086","0.0005","12.4957","0.0006","83.427","0.001","77.321","0.001","83.71","0.001","1174.89","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","BzPPh(O)-DTE","","- C26 H23 O P S2 -","- C26 H23 O P S2 -","- C52 H46 O2 P2 S4 -","2","1","","Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle","Chem. Sci.","2017","8","2","1309","","10.1039/C6SC02928K","","","0.71073","MoKα","","0.0557","0.0443","","","0.1143","0.1232","","","","","","1.025","","","","has coordinates","191511","2020-10-21","18:00:00",""
"1544315","5.7992","0.0005","11.4342","0.0009","24.017","0.002","90","","90","","90","","1592.5","0.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0496","0.0428","","0.0542","0.0511","0.0498","","","","","","1.0725","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544316","9.7138","0.0005","9.7138","0.0005","33.882","0.002","90","","90","","120","","2768.7","0.3","123","","123","","","","","","","","","5","P 32","P 32","145","","","","- C22 H21 Fe N O3 -","- C22 H21 Fe N O3 -","- C132 H126 Fe6 N6 O18 -","6","2","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0399","0.0357","","0.0444","0.0391","0.0402","","","","","","1.075","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544356","9.091","0.0003","18.1061","0.0007","20.6924","0.0007","90","","90","","90","","3406","0.2","110","2","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Br N O5 Si -","- C33 H46 Br N O5 Si -","- C132 H184 Br4 N4 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Stereodivergent, Diels‒Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application","Chem. Sci.","2017","8","2","1511","","10.1039/C6SC04273B","","","1.54178","CuKα","","0.0423","0.0328","","","0.0707","0.0774","","","","","","1.126","","","","has coordinates","191510","2020-10-21","18:00:00",""
"1544357","8.8396","0.0003","17.5572","0.0007","11.6494","0.0004","90","","94.347","0.002","90","","1802.77","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain","Highly enantioselective metallation‒substitution alpha to a chiral nitrile","Chem. Sci.","2017","8","2","1436","","10.1039/C6SC03712G","","","1.54178","CuKα","","0.1283","0.0825","","","0.2026","0.2326","","","","","","1.022","","","","has coordinates","191521","2020-10-21","18:00:00",""
"1544369","11.727","0.002","11.727","","20.29","0.003","90","","90","","120","","2416.5","0.5","127","2","127","2","","","","","","","","8","P -3","-P 3","147","","","","- C60 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","1","0.166667","","Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe","Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems","Chem. Sci.","2017","8","3","1801","","10.1039/C6SC04478F","","","0.71073","MoKα","","0.0419","0.0337","","","0.0887","0.0903","","","","","","1.099","","","","has coordinates,has disorder","193741","2020-10-21","18:00:00",""
"1544385","35.1845","0.0011","14.8561","0.0002","31.0855","0.0008","90","","101.739","0.003","90","","15908.7","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 -","- C114.69 H129.66 Br0.465 Cl3.141 I12 N24 O0.93 Zn6 -","- C458.76 H518.64 Br1.86 Cl12.564 I48 N96 O3.72 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","x-ray","1.54184","CuKα","","0.0762","0.0542","","","0.165","0.1894","","","","","","1.027","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544386","35.2593","0.0005","14.8434","0.0001","31.0697","0.0004","90","","101.611","0.001","90","","15928.1","0.3","93","2","93","2","","","","","","","","8","C 1 2 1","C 2y","5","","Cycloelatanene B with ZnI2-TPT crystalline sponge","","- C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 -","- C118.68 H134.52 Br0.8549 Cl0.8549 I12 N24 O1.7098 Zn6 -","- C474.718 H538.08 Br3.4196 Cl3.4196 I48 N96 O6.8392 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","","0.71073","MoKα","","0.0435","0.034","","","0.0937","0.0997","","","","","","1.034","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544404","24.5647","0.0002","8.4279","0.0001","16.8859","0.0001","90","","91.172","0.001","90","","3495.14","0.05","120","2","119.96","0.13","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H36 Cl F5 N4 O2 U -","- C37 H36 Cl F5 N4 O2 U -","- C148 H144 Cl4 F20 N16 O8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0273","0.027","","","0.0677","0.068","","","","","","1.038","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544405","14.486","0.005","30.377","0.005","12.092","0.005","90","0.005","107.081","0.005","90","0.005","5086","3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C204 H200 Cl12 F20 N16 O8 Ti8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0843","0.0561","","","0.101","0.1115","","","","","","1.063","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544406","16.0945","0.0002","28.2241","0.0004","19.2594","0.0003","90","","105.247","0.002","90","","8440.7","0.2","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cl Co F5 N4 O2.5 U -","- C37 H38 Cl Co F5 N4 O2.5 U -","- C296 H304 Cl8 Co8 F40 N32 O20 U8 -","8","2","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","x-ray","0.71073","MoKα","","0.0451","0.0334","","","0.0711","0.0757","","","","","","1.069","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544443","9.6533","0.0002","13.2733","0.0003","15.1062","0.0003","90","","90.485","0.002","90","","1935.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SHB2t","","- C24 H16 O2 S2 -","- C24 H16 O2 S2 -","- C96 H64 O8 S8 -","4","1","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0467","0.0374","","","0.0987","0.106","","","","","","1.044","","","","has coordinates","193734","2020-10-21","18:00:00",""
"1544444","9.3865","0.0003","12.1945","0.0003","26.4154","0.0006","90","","94.268","0.002","90","","3015.22","0.14","294.83","0.1","294.83","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SDB2t","","- C37 H24 Cl2 O2 S3 -","- C37 H24 Cl2 O2 S3 -","- C148 H96 Cl8 O8 S12 -","4","0.5","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0469","0.037","","","0.0928","0.0992","","","","","","1.028","","","","has coordinates","193734","2020-10-21","18:00:00",""
"1544458","6.98145","0.00013","21.3099","0.0004","8.10016","0.00014","90","","97.9679","0.0017","90","","1193.46","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl N2 O5 -","- C11 H11 Cl N2 O5 -","- C44 H44 Cl4 N8 O20 -","4","1","","Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong","Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides.","Chemical science","2017","8","2","1570","1575","10.1039/c6sc04357g","","x-ray","1.54184","CuKα","","0.0306","0.0285","","","0.0746","0.0758","","","","","","1.044","","","","has coordinates","196353","2020-10-21","18:00:00",""
"1544462","9.067","0.005","9.572","0.004","14.08","0.007","89.833","0.015","82.205","0.018","85.541","0.016","1207","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","ysl-cycloaddition-pro-Allyl","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","0.71073","MoKα","","0.0643","0.0424","","","0.0966","0.1092","","","","","","1.034","","","","has coordinates","193729","2020-10-21","18:00:00",""
"1544463","7.8529","0.0008","15.3187","0.0015","20.944","0.002","90","","90","","90","","2519.5","0.4","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ysl-acid-unnatural","","- C25 H32 Cl2 N2 O6 -","- C25 H32 Cl2 N2 O6 -","- C100 H128 Cl8 N8 O24 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.095","0.0631","","","0.1638","0.1842","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544464","27.2685","0.0008","27.2685","0.0008","7.6863","0.0003","90","","90","","90","","5715.3","0.3","100","","100","","","","","","","","","4","I 4","I 4","79","","ysl-518-OBn-natural","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C248 H304 N16 O40 -","8","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0764","0.051","","","0.1246","0.1399","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544465","8.9658","0.0001","14.5779","0.0002","17.7311","0.0003","90","","90","","90","","2317.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ysl-cycloaddition-pro-CO2Me-unnatural","","- C25 H30 N2 O7 -","- C25 H30 N2 O7 -","- C100 H120 N8 O28 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0305","0.0291","","","0.0714","0.0725","","","","","","1.046","","","","has coordinates","193729","2020-10-21","18:00:00",""
"1544481","5.0603","0.0008","21.361","0.004","17.169","0.003","90","","96.419","0.004","90","","1844.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br Cl2 O S -","- C20 H15 Br Cl2 O S -","- C80 H60 Br4 Cl8 O4 S4 -","4","1","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.033","0.0285","","","0.0708","0.0732","","","","","","1.039","","","","has coordinates","196358","2020-10-21","18:00:00",""
"1544482","18.742","0.002","15.6215","0.0019","13.97","0.0015","90","","98.216","0.004","90","","4048.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl N O3 S -","- C24 H16 Cl N O3 S -","- C192 H128 Cl8 N8 O24 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.0982","0.0568","","","0.1283","0.1457","","","","","","1.017","","","","has coordinates","196358","2020-10-21","18:00:00",""
"1544483","6.0792","0.0009","14.673","0.002","23.976","0.004","90","","91.386","0.004","90","","2138","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8.5 F1.5 O2 S -","- C11 H8.5 F1.5 O2 S -","- C88 H68 F12 O16 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71076","MoKα","","0.0992","0.064","","","0.1398","0.1567","","","","","","1.043","","","","has coordinates,has disorder","204121","2020-10-21","18:00:00",""
"1544510","7.8768","0.0001","8.0811","0.0001","8.6738","0.0006","68.1","0.005","66.086","0.005","61.433","0.004","432.1","0.04","93","","93","","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)2Cl2, ""purple isomer""","trans-Cl, trans-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","1","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0334","0.0334","","","0.082","0.082","","","","","","1.063","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544511","16.9129","0.0003","16.9129","0.0003","25.3688","0.0018","90","","90","","90","","7256.6","0.5","93","","93","","","","","","","","","6","I 41/a","-I 4ad","88","Ir(pyalk)2Cl2, ""maroon isomer""","trans-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C256 H320 Cl32 Ir16 N32 O32 -","16","","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0239","0.0234","","","0.0516","0.0519","","","","","","1.036","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1544512","8.8884","0.0003","9.6675","0.0003","12.5862","0.0009","95.132","0.007","109.482","0.008","110.349","0.008","929.79","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)(Hpyalk)Cl2, red isomer","Hydrogen cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C16 H23 Cl2 Ir N2 O3 -","- C16 H23 Cl2 Ir N2 O3 -","- C32 H46 Cl4 Ir2 N4 O6 -","2","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0183","0.0171","","","0.0444","0.0452","","","","","","0.881","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544513","7.9001","0.0001","18.4626","0.0003","14.3136","0.001","90","","95.04","0.007","90","","2079.66","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""green isomer""","cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C18 H24 Cl2 Ir N2 O3 -","- C18 H24 Cl2 Ir N2 O3 -","- C72 H96 Cl8 Ir4 N8 O12 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54178","CuKα","","0.0307","0.0284","","","0.0681","0.07","","","","","","1.061","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544514","8.7599","0.0002","15.6388","0.0003","15.6017","0.0011","90","","98.373","0.007","90","","2114.56","0.17","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""red isomer""","cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C17 H22 Cl4 Ir N2 O2 -","- C17 H22 Cl4 Ir N2 O2 -","- C68 H88 Cl16 Ir4 N8 O8 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0235","0.0203","","","0.0409","0.0418","","","","","","1.061","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544515","9.044","0.007","13.823","0.009","17.039","0.013","90","0.016","95.227","0.013","90","0.019","2121","3","496","2","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ir(pyalk)(Hpyalk)Cl2, green isomer","Hydrogen cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C33 H48 Cl6 Ir2 N4 O6 -","- C33 H48 Cl6 Ir2 N4 O6 -","- C66 H96 Cl12 Ir4 N8 O12 -","2","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0547","0.0448","","","0.1334","0.1464","","","","","","1.168","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544516","8.4303","0.0002","13.4446","0.0003","14.3559","0.001","74.431","0.005","85.859","0.006","81.771","0.006","1550.31","0.13","93","2","93","2","","","","","","","","7","P -1","-P 1","2","Na[Ir(pyalk)Cl4]","Sodium (2-{pyridin-2-yl}propan-2-olato)-tetrachloro-iridium(IV)","","- C8 H15 Cl4 Ir N Na O3.5 -","- C8 H15 Cl4 Ir N Na O3.5 -","- C32 H60 Cl16 Ir4 N4 Na4 O14 -","4","2","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0348","0.0306","","","0.0559","0.0586","","","","","","1.094","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1544517","14.9782","0.0004","15.0278","0.0003","17.4463","0.0012","90","","90","","90","","3927","0.3","93","2","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ir(pyalk)2Cl2, ""yellow isomer""","cis-Cl, trans-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C33 H42 Cl6 Ir2 N4 O4 -","- C33 H42 Cl6 Ir2 N4 O4 -","- C132 H168 Cl24 Ir8 N16 O16 -","4","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0439","0.0369","","","0.0961","0.1013","","","","","","0.903","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544536","8.8078","0.0018","9.5713","0.0019","23.675","0.005","90","","90","","90","","1995.9","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C96 H72 Br4 N4 O12 -","4","1","","Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate.","Chemical science","2017","8","3","1936","1941","10.1039/c6sc04135c","","","0.71073","MoKα","","0.0304","0.029","","","0.0664","0.0671","","","","","","1.094","","","","has coordinates","196372","2020-10-21","18:00:00",""
"1544554","6.657","0.002","34.537","0.013","19.811","0.008","90","","90","","90","","4555","3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(tert-butyldimethylsilyl)-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C25 H32 Si2 -","- C25 H32 Si2 -","- C200 H256 Si16 -","8","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.114","0.0987","","","0.2249","0.2401","","","","","","1.318","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544555","15.291","0.008","11.701","0.006","14.17","0.008","90","","93.057","0.007","90","","2532","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(tert-Butyldimethylsilyl)-12-(trimethylsilyl)benzo[a]naphtho[2,3-e]pentalene","","- C29 H34 Si2 -","- C29 H34 Si2 -","- C116 H136 Si8 -","4","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.0922","0.0772","","","0.1967","0.2171","","","","","","1.168","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544556","7.221","0.003","11.79","0.005","16.389","0.009","110.915","0.01","93.663","0.016","94.99","0.02","1291.6","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","5-(tert-Butyldimethylsilyl)-3-(dimethylamino)-8-nitro-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C27 H36 N2 O2 Si2 -","- C27 H36 N2 O2 Si2 -","- C54 H72 N4 O4 Si4 -","2","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.1298","0.0765","","","0.1805","0.2282","","","","","","1.074","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544557","6.5595","0.0009","41.849","0.003","6.9922","0.0005","90","","94.939","0.008","90","","1912.3","0.3","97.3","","97.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 F8 N3 O -","- C23 H11 F8 N3 O -","- C92 H44 F32 N12 O4 -","4","1","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","","0.7107","MoKα","","0.092","0.0642","","","0.1307","0.1452","","","","","","1.09","","","","has coordinates","196365","2020-10-21","18:00:00",""
"1544558","15.842","0.008","5.698","0.0005","16.7517","0.0015","90","","94.72","0.02","90","","1507","0.8","97.2","0.1","97.2","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F4 I2 N6 O2 -","- C32 H22 F4 I2 N6 O2 -","- C64 H44 F8 I4 N12 O4 -","2","0.5","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","x-ray","0.71073","MoKα","","0.0399","0.0332","","","0.0705","0.0753","","","","","","1.028","","","","has coordinates","196365","2020-10-21","18:00:00",""
"1544602","11.3281","0.0006","24.0698","0.0013","13.5639","0.0006","90","","110.91","0.002","90","","3454.8","0.3","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C112 H144 F24 N8 O4 Si4 Zn4 -","2","0.5","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0316","0.0283","","","0.0692","0.0708","","","","","","1.041","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1544603","10.5225","0.0011","11.8495","0.0013","16.4988","0.0018","91.643","0.005","107.641","0.005","115.266","0.004","1742.8","0.3","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H45 F6 N3 Si2 Zn -","- C31 H45 F6 N3 Si2 Zn -","- C62 H90 F12 N6 Si4 Zn2 -","2","1","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0418","0.0364","","","0.0955","0.0991","","","","","","1.053","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1544629","19.4453","0.0005","15.7177","0.0002","23.5873","0.0007","90","","109.174","0.003","90","","6809.2","0.3","140","0.2","140","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 B4 Cl8 Fe2 N14 O12 -","- C56 H68 B4 Cl8.0001 Fe2 N14 O12 -","- C224 H272 B16 Cl32.0004 Fe8 N56 O48 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1089","0.0848","","","0.176","0.1888","","","","","","1.042","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544630","8.4174","0.0008","19.6607","0.0014","20.1792","0.0015","60.961","0.008","79.048","0.008","87.787","0.007","2860.9","0.5","140","0.2","140","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C86 H108 B8 Cl12 Fe4 N28 O24 -","2","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.11","0.0813","","","0.1745","0.194","","","","","","1.045","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544631","20.2193","0.0012","20.6255","0.0011","21.5175","0.0012","63.61","0.005","76.958","0.005","85.618","0.005","7828.1","0.9","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1212","0.0958","","","0.2057","0.222","","","","","","0.999","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544632","41.2884","0.0009","14.0841","0.0004","54.0058","0.0015","90","","97.789","0.002","90","","31115.2","1.4","140","","140","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C640 H768 B80 F64 Fe32 N224 O192 Pd8 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2129","0.1467","","","0.2909","0.3321","","","","","","0.995","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544633","21.3764","0.0008","21.4422","0.0009","23.5362","0.001","105.44","0.004","91.132","0.003","90.267","0.003","10396.1","0.8","140","0.1","140","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1317","0.0979","","","0.2092","0.2274","","","","","","1.002","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544634","20.6996","0.0019","21.9894","0.001","23.0916","0.0012","96.416","0.004","91.4","0.006","109.195","0.006","9843.2","1.2","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2287","0.1499","","","0.2913","0.3359","","","","","","1.063","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544635","17.5471","0.00008","17.5471","0.00008","62.6742","0.0005","90","","90","","90","","19297.4","0.2","140","0.1","140","0.1","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C528 H612 B40 F32 Fe16 N124 O112 Pd4 -","2","0.125","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.0673","0.0653","","","0.1649","0.1667","","","","","","1.02","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544644","14.8643","0.0004","19.384","0.0003","24.2728","0.0007","90","","107.004","0.003","90","","6688","0.3","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Y","","- C70 H83 Sb4 Y3 -","- C70 H83 Sb4 Y3 -","- C280 H332 Sb16 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0693","0.0459","","","0.0773","0.0868","","","","","","1.009","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544645","14.8968","0.0003","19.3308","0.0004","24.2616","0.0005","90","","106.568","0.002","90","","6696.5","0.2","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 Dy3 Sb4 -","- C70 H83 Dy3 Sb4 -","- C280 H332 Dy12 Sb16 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0411","0.0349","","","0.0581","0.0615","","","","","","1.016","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544646","15.113","0.0002","18.7437","0.0002","24.0965","0.0003","90","","103.339","0.001","90","","6641.75","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Dy","","- C70 H83 Dy3 Sb3 -","- C70 H83 Dy3 Sb3 -","- C280 H332 Dy12 Sb12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0303","0.0282","","","0.0635","0.0648","","","","","","1.027","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544647","15.1052","0.0002","18.7715","0.0002","24.1263","0.0003","90","","103.437","0.001","90","","6653.68","0.14","150.02","0.11","150.02","0.11","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Y","","- C70 H83 Sb3 Y3 -","- C70 H83 Sb3 Y3 -","- C280 H332 Sb12 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0241","0.0213","","","0.0445","0.0455","","","","","","1.031","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544648","5.174","0.0002","7.9835","0.0004","11.2694","0.0005","88.921","0.004","79.679","0.004","73.714","0.004","439.35","0.04","150.01","0.13","150.01","0.13","","","","","","","","3","P -1","-P 1","2","","Dimesityldistibine","","- C18 H24 Sb2 -","- C18 H24 Sb2 -","- C18 H24 Sb2 -","1","0.5","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0308","0.0236","","","0.0516","0.0548","","","","","","1.049","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544655","22.63","0.008","23.529","0.009","19.425","0.007","90","","112.979","0.005","90","","9522","6","123","2","123","2","","","","","","","Synthesis","6","P 1 21/c 1","-P 2ybc","14","cyclo[6]aramide/Paraquat complex","cyclo[6]aramide and paraquat hexafluoro phosphate","","- C90 H121 F6 N7 O18 P -","- C90 H121 F6 N7 O18 P -","- C360 H484 F24 N28 O72 P4 -","4","1","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1534","0.0896","","","0.2339","0.2667","","","","","","1.262","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544656","22.928","0.002","25.6042","0.0012","23.2131","0.0015","90","","111.03","0.009","90","","12719.6","1.7","150","2","150","2","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","[3]rotaxane of cyclo[6]aramides and paraquat derivatives","rotaxane-cyclo[6]aramides/paraquat","","- C216 H292 F12 N20 O36 P2 -","- C216 H292 F12 N20 O36 P2 -","- C432 H584 F24 N40 O72 P4 -","2","0.5","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1758","0.1198","","","0.3108","0.3386","","","","","","1.051","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544657","9.0651","0.0011","8.8852","0.001","33.617","0.005","90","","90","","90","","2707.7","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium) tetraiodoplumbate","bis(6-iodohexan-1-aminium) tetraiodoplumbate","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.","Decreasing the electronic confinement in layered perovskites through intercalation.","Chemical science","2017","8","3","1960","1968","10.1039/c6sc02848a","","","0.71073","MoKα","","0.043","0.0315","","","0.0661","0.0706","","","","","","1.123","","","","has coordinates,has disorder","196369","2020-10-21","18:00:00",""
"1544658","19.385","0.003","16.22","0.003","10.9215","0.0015","90","","107.035","0.018","90","","3283.3","1","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H36 Cl2 Ir O2 P -","- C39 H36 Cl2 Ir O2 P -","- C156 H144 Cl8 Ir4 O8 P4 -","4","1","","Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin","Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.","Chemical science","2017","8","3","1977","1980","10.1039/c6sc03764j","","","0.71073","MoKα","","0.0321","0.0317","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has disorder","196368","2020-10-21","18:00:00",""
"1544660","13.7983","0.0008","18.7174","0.0011","19.3028","0.0011","90","","90","","90","","4985.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl11 N O P Pd -","- C45 H43 Cl11 N O P Pd -","- C180 H172 Cl44 N4 O4 P4 Pd4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","0.71073","MoKα","","0.0419","0.0328","","","0.0636","0.0666","","","","","","1.02","","","","has coordinates,has disorder","196361","2020-10-21","18:00:00",""
"1544661","6.077","0.0011","7.7665","0.0014","27.619","0.005","90","","90","","90","","1303.5","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N -","- C17 H17 N -","- C68 H68 N4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","1.54178","CuKα","","0.0273","0.0272","","","0.071","0.0711","","","","","","1.076","","","","has coordinates","196361","2020-10-21","18:00:00",""
"1544701","20.2513","0.0002","20.7166","0.0003","21.07611","0.00018","90","","90","","90","","8842.23","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 F6 N17 O9.75 P -","- C81.75 H139 F6 N17 O9.75 P -","- C327 H556 F24 N68 O39 P4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1002","0.1036","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544702","20.20836","0.00017","21.378","0.0002","20.70075","0.00019","90","","90.0578","0.0008","90","","8943.02","0.14","123","0.1","123","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H140 F6 N16 O10 P Sb -","- C82 H140 F6 N16 O10 P Sb -","- C328 H560 F24 N64 O40 P4 Sb4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0931","0.0932","","","","","","1.039","","","","has coordinates","193733","2020-10-21","18:00:00",""
"1544703","20.03081","0.00012","20.92663","0.00013","20.97159","0.00013","90","","90","","90","","8790.82","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H140 B F4 N17 O10 -","- C82 H140 B F4 N17 O10 -","- C328 H560 B4 F16 N68 O40 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0553","0.0544","","","0.1574","0.1587","","","","","","1.061","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544704","20.1641","0.0003","20.8019","0.0003","21.1254","0.0003","90","","90","","90","","8861.1","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 N17 O13.75 Re -","- C81.75 H139 N17 O13.75 Re -","- C327 H556 N68 O55 Re4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0613","0.0594","","","0.1641","0.1662","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544705","20.1263","0.0003","21.3089","0.0003","20.7811","0.0002","90","","90.0371","0.0012","90","","8912.4","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H140 I N16 O14 P -","- C82 H140 I0.9995 N16 O13.998 P -","- C328 H560 I3.998 N64 O55.992 P4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","0.71073","MoKα","","0.0385","0.0362","","","0.0837","0.0862","","","","","","1.041","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544706","20.27229","0.00012","20.7328","0.00013","21.02695","0.00011","90","","90","","90","","8837.66","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C83 H140 F3 N17 O13 S -","- C83 H140 F3 N17 O13 S -","- C332 H560 F12 N68 O52 S4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0502","0.0492","","","0.1432","0.1445","","","","","","1.04","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544742","12.4327","0.0005","15.7628","0.0007","12.9117","0.0006","90","","97.2061","0.0009","90","","2510.37","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Au N2 P S -","- C26 H38 Au N2 P S -","- C104 H152 Au4 N8 P4 S4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0322","0.0317","","","0.0853","0.0859","","","","","","1.129","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544743","11.4778","0.0017","20.461","0.003","11.6734","0.0017","90","","111.062","0.002","90","","2558.3","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Au N2 O2 -","- C32 H25 Au N2 O2 -","- C128 H100 Au4 N8 O8 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0241","0.024","","","0.0645","0.0645","","","","","","1.142","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544744","10.9501","0.0006","25.1526","0.0013","13.6349","0.0007","90","","102.556","0.001","90","","3665.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Au B F2 N2 P -","- C39 H51 Au B F2 N2 P -","- C156 H204 Au4 B4 F8 N8 P4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","","1.54178","CuKα","","0.0417","0.0409","","","0.1069","0.1077","","","","","","1.034","","","","has coordinates,has disorder","196362","2020-10-21","18:00:00",""
"1544751","17.8087","0.0005","11.3207","0.0003","17.3127","0.0005","90","","90","","90","","3490.36","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 5","[SiP(iPr)2P(NMe)]FeNH2","","- C35 H53 Fe N2 P3 Si -","- C35 H53 Fe N2 P3 Si -","- C140 H212 Fe4 N8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0571","0.0393","","","0.0784","0.0845","","","","","","1.034","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544752","13.454","0.005","10.208","0.004","32.264","0.014","90","","90.86","0.008","90","","4431","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6","{[SiP(iPr)2P(NMe)]FeN2}{Na(THF)2}","","- C43 H65 Fe N3 Na O2 P3 Si -","- C43 H65 Fe N3 Na O2 P3 Si -","- C172 H260 Fe4 N12 Na4 O8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1237","0.086","","","0.1956","0.2116","","","","","","1.055","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544753","13.2134","0.0006","16.5453","0.0008","19.1158","0.0009","107.944","0.003","103.367","0.003","104.913","0.003","3616.2","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3","{[SiP(iPr)2P(NMe)]FeNH3}{BArF4}","","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C138 H142 B2 F48 Fe2 N4 O P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","1.54178","CuKα","","0.1025","0.069","","","0.1612","0.1811","","","","","","1.014","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544754","16.278","0.003","12.177","0.002","24.314","0.004","90","","90.733","0.005","90","","4819.1","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H69 Fe N5 Na O3 P3 Si -","- C180 H276 Fe4 N20 Na4 O12 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0996","0.0879","","","0.2229","0.2294","","","","","","1.173","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544755","10.4778","0.001","17.2329","0.0017","20.001","0.002","92.885","0.004","96.497","0.003","98.431","0.003","3541.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[SiP(iPr)2P(NMe)]Fe(N2)(H)","","- C35 H53 Fe N3 P3 Si -","- C35 H52 Fe N3 P3 Si -","- C140 H208 Fe4 N12 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0458","0.0358","","","0.0832","0.0883","","","","","","1.021","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1544756","12.6269","0.0013","16.1557","0.0017","20.397","0.002","86.951","0.005","77.672","0.005","72.605","0.005","3878.8","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 4","{]SiP(iPr)2P(NMe)]FeN2H4}{BArF4}","","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C146 H164 B2 F48 Fe2 N6 O3 P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0743","0.0552","","","0.1576","0.175","","","","","","1.021","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544757","24.918","0.006","16.256","0.004","12.349","0.003","90","","90","","90","","5002","2","270","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H70 Fe N5 Na O3 P3 Si -","- C180 H280 Fe4 N20 Na4 O12 P12 Si4 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1078","0.0699","","","0.1665","0.1863","","","","","","1.094","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544758","38.962","0.002","11.0406","0.0006","18.1487","0.0009","90","","90","","90","","7806.9","0.7","293","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Compound 1'","[SiP(NMe)3]FeCl","","- C39 H51 Cl Fe N3 P3 Si -","- C39 H47 Cl Fe N3 P3 Si -","- C312 H376 Cl8 Fe8 N24 P24 Si8 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0532","0.0481","","","0.1089","0.1108","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544759","10.6457","0.0005","19.2443","0.0009","16.2208","0.0008","90","","91.27","0.003","90","","3322.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 2'","[SiP(NMe)3]FeN2","","- C33 H45 Cl0 Fe N5 P3 Si -","- C33 H45 Fe N5 P3 Si -","- C132 H180 Fe4 N20 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0501","0.0461","","","0.1121","0.1145","","","","","","1.1","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544760","17.5105","0.0012","20.6792","0.0014","22.9097","0.0016","102.798","0.003","94.824","0.003","111.77","0.003","7385","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3'","{[SiP(NMe)3]FeNH3}{BArF4}","","- C69 H70 B F24 Fe N4 O P3 Si -","- C69 H70 B F24 Fe N4 O P3 Si -","- C276 H280 B4 F96 Fe4 N16 O4 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0929","0.0549","","","0.1287","0.1496","","","","","","1.014","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544780","13.0201","0.0018","13.0201","0.0018","13.1802","0.0019","90","","90","","90","","2234.3","0.5","173","2","173","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","","","- C16 H32.72 N4 O12.36 Zr -","- C16 H28.52 N4 O12.36 Zr -","- C64 H114.08 N16 O49.44 Zr4 -","4","0.5","","Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J.","Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development.","Chemical science","2017","8","3","2309","2314","10.1039/c6sc04128k","","","0.71073","MoKα","","0.05","0.0432","","","0.1061","0.1119","","","","","","1.067","","","","has coordinates,has disorder","196359","2020-10-21","18:00:00",""
"1544786","12.2584","0.0007","10.9135","0.0006","21.9058","0.0013","90","","104.66","0.0018","90","","2835.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(OC-6-44)-Diamminedichloridomethoxido[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylcarbamato]platinum(IV)","","- C8 H16 Cl2 N4 O5 Pt -","- C8 H16 Cl2 N4 O5 Pt -","- C64 H128 Cl16 N32 O40 Pt8 -","8","2","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0281","0.0218","","","0.0429","0.0443","","","","","","1.147","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544787","27.345","0.005","10.1753","0.0011","12.3345","0.0013","90","","101.328","0.005","90","","3365.1","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(OC-6-44)-Acetatodiamminedichlorido[2-(2,5-dioxopyrrolidin-1-yl)ethyl)carbamato]platinum(IV)","","- C9 H20 Cl2 N4 O7 Pt -","- C9 H20 Cl2 N4 O7 Pt -","- C72 H160 Cl16 N32 O56 Pt8 -","8","1","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0263","0.0241","","","0.0638","0.067","","","","","","1.089","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544788","29.4745","0.0004","35.8121","0.0005","48.4263","0.0007","86.379","0.001","75.637","0.001","74.164","0.001","47638.4","1.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C697 H897 Ag115 P12 S81 -","- C697 H897 Ag115 P12 S81 -","- C1394 H1794 Ag230 P24 S162 -","2","1","","Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter","[Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster","Chem. Sci.","2017","8","3","2235","","10.1039/C6SC04578B","","x-ray","1.54178","CuKα","","0.186","0.1217","","","0.3358","0.3793","","","","","","1.158","","","","has coordinates,has disorder","193735","2020-10-21","18:00:00",""
"1544802","11.379","0.0006","22.2822","0.0012","16.4411","0.0009","90","","107.567","0.004","90","","3974.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B2 Cl F18 N3 -","- C35 H32 B2 Cl F18 N3 -","- C140 H128 B8 Cl4 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.087","0.0762","","","0.2005","0.212","","","","","","1.047","","","","has coordinates","196366","2020-10-21","18:00:00",""
"1544803","12.936","0.0004","18.7832","0.0006","41.0326","0.0012","90","","94.5442","0.0015","90","","9938.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H51 B2 F18 N5 -","- C46 H51 B2 F18 N5 -","- C368 H408 B16 F144 N40 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0613","0.0543","","","0.139","0.1447","","","","","","1.037","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544804","9.3972","0.0002","12.2337","0.0003","16.8072","0.0004","73.1735","0.001","77.1382","0.0011","68.1258","0.001","1701.94","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39.5 B F3.5 N5 O3 S -","- C31 H39.5 B F3.5 N5 O3 S -","- C62 H79 B2 F7 N10 O6 S2 -","2","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0461","0.0434","","","0.1229","0.1255","","","","","","1.063","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544805","13.5787","0.0003","12.2769","0.0002","11.1774","0.0002","90","","90","","90","","1863.32","0.06","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H21 B F3 N5 O3 S -","- C12 H21 B F3 N5 O3 S -","- C48 H84 B4 F12 N20 O12 S4 -","4","0.5","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0702","0.0684","","","0.1904","0.194","","","","","","1.061","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544806","12.6084","0.0003","19.7795","0.0006","24.1204","0.0006","90","","90","","90","","6015.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H53 B2 F24 N7 -","- C54 H53 B2 F24 N7 -","- C216 H212 B8 F96 N28 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0489","0.048","","","0.1325","0.1337","","","","","","1.045","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544807","25.1883","0.0019","12.192","0.0009","26.4276","0.0018","90","","98.253","0.003","90","","8031.8","1","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35.38 H33.75 B2 Cl0.75 F18 N3 -","- C35.375 H33.75 B2 Cl0.75 F18 N3 -","- C283 H270 B16 Cl6 F144 N24 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0642","0.0608","","","0.16","0.1632","","","","","","1.062","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544808","12.2423","0.0002","22.642","0.0004","14.6138","0.0002","90","","92.7542","0.0011","90","","4046.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35 B2 F18 N3 -","- C35 H31 B2 F18 N3 -","- C140 H124 B8 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0802","0.0633","","","0.1762","0.1957","","","","","","1.058","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544809","7.543","0.001","11.336","0.002","11.424","0.002","63.483","0.003","89.755","0.004","88.763","0.004","873.9","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","1","0.5","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0652","0.0509","","","0.1353","0.1457","","","","","","1.048","","","","has coordinates,has disorder","196371","2020-10-21","18:00:00",""
"1544810","19.724","0.004","19.724","0.004","45.031","0.009","90","","90","","120","","15172","5","84","2","85","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C252 H432 F108 Fe18 N432 O108 S36 -","18","1","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0609","0.0403","","","0.094","0.1087","","","","","","1.082","","","","has coordinates","196371","2020-10-21","18:00:00",""
"1544822","8.2","0.0008","12.4012","0.0012","21.182","0.002","90","","90","","90","","2154","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1398","0.0595","","","0.0968","0.1205","","","","","","1.038","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544823","8.73","0.005","13.396","0.005","11.372","0.005","90","0.005","101.968","0.005","90","0.005","1301","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","succinimide-piv","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1086","0.057","","","0.1253","0.1411","","","","","","1.047","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544824","13.9364","0.0002","13.9364","0.0002","34.5285","0.0007","90","","90","","90","","6706.24","0.19","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C66 H52 Cl12 N2 O4 -","- C66 H52 Cl12 N2 O4 -","- C264 H208 Cl48 N8 O16 -","4","1","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1013","0.073","","","0.2046","0.2326","","","","","","1.022","","","","has coordinates,has disorder","288471","2023-12-21","10:03:37",""
"1544825","11.4627","0.0005","11.8704","0.0005","15.645","0.0006","76.067","0.002","89.834","0.002","72.77","0.001","1968.03","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","1","0.5","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1469","0.0694","","","0.1717","0.2099","","","","","","1.025","","","","has coordinates","193748","2020-10-21","18:00:00",""
"1544826","6.3989","0.00008","11.27072","0.00015","19.0731","0.0003","90","","92.0107","0.0013","90","","1374.71","0.03","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Kim, Jungwon; Hong, Soon Hyeok","Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones.","Chemical science","2017","8","3","2401","2406","10.1039/c6sc05266e","","x-ray","1.54184","CuKα","","0.0441","0.0411","","","0.1095","0.1128","","","","","","1.048","","","","has coordinates","196370","2020-10-21","18:00:00",""
"1544843","9.359","0.0008","10.6693","0.0009","27.872","0.002","90","","93.525","0.007","90","","2777.9","0.4","281.4","","281.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N4 O -","- C35 H28 N4 O -","- C140 H112 N16 O4 -","4","1","","Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong","Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging","Chem. Sci.","2017","8","3","1763","","10.1039/C6SC04842K","","","0.71073","MoKα","","0.0981","0.0525","","","0.1115","0.1375","","","","","","1.027","","","","has coordinates,has disorder","193744","2020-10-21","18:00:00",""
"1544851","6.241","0.0004","27.3263","0.0016","6.9456","0.0004","90","","99.4148","0.0019","90","","1168.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O10 -","- C24 H28 N2 O10 -","- C48 H56 N4 O20 -","2","0.5","","Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin","Piezochromism and hydrochromism through electron transfer: new stories for viologen materials","Chem. Sci.","2017","8","4","2758","","10.1039/C6SC04579K","","","0.71073","MoKα","","0.0656","0.0442","","","0.1079","0.1193","","","","","","1.04","","","","has coordinates,has disorder","195009","2020-10-21","18:00:00",""
"1544969","21.9093","0.0007","15.8193","0.0003","19.1282","0.0012","90","","130.884","0.002","90","","5012.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 F12 N10 O7 P2 Ru -","- C42 H50 F12 N10 O7 P2 Ru -","- C168 H200 F48 N40 O28 P8 Ru4 -","4","0.5","","Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J.","Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity.","Chemical science","2017","8","1","395","404","10.1039/c6sc03028a","","","1.54184","CuKα","","0.0854","0.0787","","","0.2222","0.2336","","","","","","1.058","","","","has coordinates,has disorder","196322","2020-10-21","18:00:00",""
"1544982","18.0886","0.0005","25.2724","0.001","26.1157","0.001","62.983","0.004","89.953","0.003","89.655","0.003","10635.5","0.8","100","1.7","100","1.7","","","","","","","","5","P -1","-P 1","2","","Ga[OSi(OtBu)3]3(thf)","","- C40 H89 Ga O13 Si3 -","- C40 H89 Ga O13 Si3 -","- C320 H712 Ga8 O104 Si24 -","8","4","","Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe","Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts","Chem. Sci.","2017","8","4","2661","","10.1039/C6SC05178B","","","0.71073","MoKα","","0.1188","0.0741","","","0.1174","0.1374","","","","","","1.02","","","","has coordinates","194992","2020-10-21","18:00:00",""
"1544983","14.003","0.0003","8.7535","0.0002","16.9635","0.0003","90","","93.969","0.001","90","","2074.32","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C68 H60 Cu8 I8 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0186","0.0168","","","0.0415","0.0422","","","","","","1.036","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544984","8.811","0.0001","10.0997","0.0001","12.544","0.0002","101.523","0.001","102.995","0.001","104.283","0.001","1014.82","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","1","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0184","0.0171","","","0.0438","0.0445","","","","","","1.14","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544985","28.265","0.0008","16.1159","0.0005","10.1658","0.0003","90","","109.463","0.001","90","","4366.1","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C140 H128 Cl8 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0336","0.0306","","","0.0774","0.0801","","","","","","1.047","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544986","25.9718","0.0006","10.2757","0.0002","17.5936","0.0004","90","","90.94","0.001","90","","4694.72","0.18","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C144 H136 Cl16 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0508","0.0464","","","0.1163","0.1194","","","","","","1.101","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544987","17.889","0.0001","12.2339","0.0001","20.7705","0.0003","90","","101.703","0.001","90","","4451.18","0.08","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cu N5 O6 S2 -","- C17 H15 Cu N5 O6 S2 -","- C136 H120 Cu8 N40 O48 S16 -","8","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.028","0.0251","","","0.0645","0.0655","","","","","","1.071","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544988","10.1355","0.0002","8.3969","0.0002","21.0712","0.0004","90","","95.58","0.001","90","","1784.8","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu2 I2 N6 S4 -","- C34 H30 Cu2 I2 N6 S4 -","- C68 H60 Cu4 I4 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.108","0.0904","","","0.1791","0.192","","","","","","1.054","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544989","10.5537","0.0005","9.2526","0.0004","16.335","0.0008","90","","107.345","0.003","90","","1522.57","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0864","0.0506","","","0.0822","0.0919","","","","","","1.074","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544991","11.2567","0.0007","11.6409","0.0007","27.0758","0.0016","90","","90","","90","","3548","0.4","298","2","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F3 O2 S2 -","- C18 H17 F3 O2 S2 -","- C144 H136 F24 O16 S16 -","8","2","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71073","MoKα","","0.1464","0.0902","","","0.1256","0.1446","","","","","","1.058","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1544992","5.6786","0.0006","8.4547","0.0009","15.2755","0.0016","95.353","0.008","96.231","0.008","102.129","0.008","707.68","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 O2 S2 -","- C12 H13 F3 O2 S2 -","- C24 H26 F6 O4 S4 -","2","1","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71","MoKα","","0.1544","0.0978","","","0.2709","0.3262","","","","","","1.037","","","","has coordinates,has disorder","194993","2020-10-21","18:00:00",""
"1544993","12.2342","0.0014","24.232","0.003","18.5607","0.0019","90","","100.311","0.007","90","","5413.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H32 B2 F22 N O2 P -","- C49 H32 B2 F22 N O2 P -","- C196 H128 B8 F88 N4 O8 P4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","1.54178","CuKα","","0.1153","0.0684","","","0.1625","0.1873","","","","","","1.04","","","","has coordinates,has disorder","189869","2020-10-21","18:00:00",""
"1544994","9.1176","0.0012","16.071","0.002","19.36","0.002","90","","98.211","0.004","90","","2807.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 B F15 N -","- C30 H23 B F15 N -","- C120 H92 B4 F60 N4 -","4","2","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1115","0.0612","","","0.1098","0.1284","","","","","","1.045","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544995","9.6021","0.0005","9.8581","0.0006","13.16","0.0007","73.124","0.002","77.164","0.002","81.941","0.002","1158.44","0.11","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B F10 N -","- C24 H24 B F10 N -","- C48 H48 B2 F20 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.073","0.0427","","","0.0871","0.0976","","","","","","1.014","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544996","14.4987","0.0007","11.0883","0.0004","23.6041","0.001","90","","106.503","0.001","90","","3638.4","0.3","102","2","102","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H25 B2 F20 N O2 -","- C38 H25 B2 F20 N O2 -","- C152 H100 B8 F80 N4 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0713","0.0405","","","0.0766","0.0867","","","","","","1.033","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544997","11.0648","0.0002","22.0848","0.0004","20.1904","0.0004","90","","102.354","0.001","90","","4819.56","0.16","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 B2 F25 N O2 -","- C44 H24 B2 F25 N O2 -","- C176 H96 B8 F100 N4 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1137","0.0711","","","0.1475","0.1658","","","","","","1.031","","","","has coordinates,has disorder","189869","2020-10-21","18:00:00",""
"1544998","7.0432","0.0001","18.5654","0.0004","19.9939","0.0004","90","","98.022","0.001","90","","2588.82","0.08","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B F10 N3 O2 -","- C24 H24 B F10 N3 O2 -","- C96 H96 B4 F40 N12 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0639","0.049","","","0.1108","0.1222","","","","","","1.065","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544999","11.4759","0.0007","11.5926","0.0007","20.7695","0.0013","90","","95.877","0.002","90","","2748.6","0.3","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B F10 N3 O2 -","- C26 H28 B F10 N3 O2 -","- C104 H112 B4 F40 N12 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1147","0.0945","","","0.1765","0.1841","","","","","","1.2","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1545000","10.9697","0.0002","11.2538","0.0002","13.9662","0.0004","93.564","0.001","101.334","0.001","106.008","0.001","1612.53","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 B F10 N -","- C32 H30 B F10 N -","- C64 H60 B2 F20 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0871","0.0639","","","0.139","0.1502","","","","","","1.052","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1545006","50.8135","0.0018","29.3497","0.0008","49.1614","0.0016","90","","110.274","0.004","90","","68775","4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C252 H330 Ag28 P4 Pt S18 -","- C252 H330 Ag28 P4 Pt S18 -","- C2016 H2640 Ag224 P32 Pt8 S144 -","8","1","","Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao","The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster","Chem. Sci.","2017","8","4","2581","","10.1039/C6SC05104A","","","1.54178","CuKα","","0.0432","0.0333","","","0.0845","0.0867","","","","","","1.048","","","","has coordinates","194995","2020-10-21","18:00:00",""
"1545025","30.0933","0.0006","8.439","0.00015","26.6268","0.0005","90","","95.566","0.0007","90","","6730.2","0.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,11-di(10H-phenothiazin-10-yl)dibenzo[a,j]phenazine","","- C45 H26 Cl N4 S2 -","- C45 H26 Cl N4 S2 -","- C360 H208 Cl8 N32 S16 -","8","1","","Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi","Thermally activated delayed fluorescent phenothiazine‒dibenzo[a,j]phenazine‒phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence","Chem. Sci.","2017","8","4","2677","","10.1039/C6SC04863C","","","1.54187","CuKα","","","0.1215","","","","0.4004","","","","","","1.473","","","","has coordinates","194991","2020-10-21","18:00:00",""
"1545026","5.81321","0.00019","7.5432","0.0003","10.2777","0.0003","90","","93.249","0.003","90","","449.95","0.03","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(thiophen-2-yl)ethene","","- C10 H8 S2 -","- C10 H8 S2 -","- C20 H16 S4 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","0.71073","MoKα","","0.0409","0.0368","","","0.0901","0.093","","","","","","1.005","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545027","10.91901","0.00014","8.76755","0.00011","15.8755","0.0002","90","","93.1272","0.0011","90","","1517.55","0.03","100.1","0.5","100.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,5-bis(thiophene-2-yl)thieno[3,2-e]benzo[b]thiophene","","- C18 H10 S4 -","- C18 H10 S4 -","- C72 H40 S16 -","4","1","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0652","0.0661","","","","","","1.002","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545028","9.316","0.0002","9.10329","0.00018","9.6346","0.0002","90","","110.853","0.003","90","","763.55","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrathienylethene, TTE","1,1,2,2-tetra(thiophen-2-yl)ethene","","- C18 H12 S4 -","- C18 H12 S4 -","- C36 H24 S8 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.026","0.025","","","0.0783","0.0798","","","","","","1.002","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545045","24.588","0.005","10.147","0.002","24.582","0.005","90","","92.11","0.03","90","","6129","2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H23 Co F28 N4 O9 P3 Yb -","- C55 H23 Co F28 N4 O9 P3 Yb -","- C220 H92 Co4 F112 N16 O36 P12 Yb4 -","4","0.5","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0335","0.0286","","","0.0681","0.0719","","","","","","1.052","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545046","15.8901","0.0004","19.2041","0.0005","22.9477","0.0006","90","","90","","90","","7002.6","0.3","276.86","0.1","276.86","0.1","","","","","","","","9","C m c m","-C 2c 2","63","","","","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C228 H136 Cl20 Co4 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0524","0.0501","","","0.1492","0.1512","","","","","","1.111","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545047","12.2948","0.0003","14.0793","0.0003","16.6204","0.0004","72.8693","0.0019","73.873","0.002","77.72","0.002","2614.22","0.11","180.01","0.1","180.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C110 H50 Co2 D36 F16 N8 O18 P6 Yb2 -","2","1","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","x-ray","0.71073","MoKα","","0.0885","0.0762","","","0.1875","0.1999","","","","","","1.034","","","","has coordinates","195015","2020-10-21","18:00:00",""
"1545050","10.6431","0.0011","41.576","0.004","13.8546","0.0015","90","","110.763","0.005","90","","5732.5","1","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 F24 N8 O4 P4 -","- C49 H42 F24 N8 O4 P4 -","- C196 H168 F96 N32 O16 P16 -","4","1","","Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Radically promoted formation of a molecular lasso","Chem. Sci.","2017","8","4","2562","","10.1039/C6SC05035B","","","0.71073","MoKα","","0.1417","0.0945","","","0.2626","0.3014","","","","","","1.023","","","","has coordinates,has disorder","195011","2020-10-21","18:00:00",""
"1545090","11.355","0.003","13.612","0.003","16.835","0.004","90","","90","","90","","2602.1","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl ((R)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-yl)oxy)(phenoxy)phosphoryl)-D-alaninate","","- C22 H29 F N3 O9 P -","- C22 H29 F N3 O9 P -","- C88 H116 F4 N12 O36 P4 -","4","1","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0575","0.0435","","","0.1022","0.1095","","","","","","1.008","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545091","5.2533","0.0002","12.0015","0.0005","16.3874","0.0007","74.879","0.002","84.088","0.002","80.148","0.002","980.85","0.07","100","2","100","2","","","","","","","","6","P 1","P 1","1","","isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-D-alaninate","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0368","0.0351","","","0.0865","0.0877","","","","","","0.989","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545092","19.2401","0.0006","7.48163","0.00017","19.9656","0.0006","90","","104.461","0.003","90","","2782.94","0.14","140","0.1","140","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0833","0.0852","","","","","","1.034","","","","has coordinates","193750","2020-10-21","18:00:00",""
"1545093","10.9092","0.0006","12.5543","0.0004","15.2599","0.0009","86.71","0.004","83.989","0.005","89.249","0.004","2074.99","0.18","100","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C54 H51 Cl O2 Ru -","- C54 H51 Cl O2 Ru -","- C108 H102 Cl2 O4 Ru2 -","2","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0629","0.0535","","","0.1404","0.1545","","","","","","1.09","","","","has coordinates,has disorder","193750","2020-10-21","18:00:00",""
"1545094","12.7416","0.0003","15.3629","0.0004","22.5851","0.0006","90","","90","","90","","4420.99","0.19","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C184 H200 Br4 Cl8 N12 O8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0214","0.0205","","","0.0506","0.0511","","","","","","1.044","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1545095","7.6802","0.0004","15.4523","0.0007","18.383","0.0009","90","","90","","90","","2181.63","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Br2 N2 P2 Pd -","- C18 H28 Br2 N2 P2 Pd -","- C72 H112 Br8 N8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0263","0.0246","","","0.0556","0.057","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545096","23.434","0.0011","10.7208","0.0005","10.6091","0.0005","90","","95.3448","0.0014","90","","2653.7","0.2","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H32 Br N3 O P2 Pd -","- C25 H32 Br N3 O P2 Pd -","- C100 H128 Br4 N12 O4 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0234","0.0229","","","0.0562","0.0566","","","","","","1.076","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545097","8.7715","0.0004","15.9157","0.0008","36.3389","0.0018","90","","90","","90","","5073.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O6 S2 -","- C26 H24 N2 O6 S2 -","- C208 H192 N16 O48 S16 -","8","2","","Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters","Chem. Sci.","2017","8","4","2811","","10.1039/C6SC05450A","","","0.71073","MoKα","","0.0542","0.042","","","0.0976","0.1043","","","","","","1.065","","","","has coordinates","195000","2020-10-21","18:00:00",""
"1545143","5.8387","0.0001","15.6232","0.0003","25.7309","0.0006","90","","90","","90","","2347.15","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 O2 -","- C31 H28 O2 -","- C124 H112 O8 -","4","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0445","0.0395","","","0.0904","0.0928","","","","","","0.99","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545144","12.8937","0.0002","6.0514","0.0001","14.068","0.0002","90","","107.517","0.001","90","","1046.75","0.03","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0383","0.0379","","","0.0942","0.0948","","","","","","1.057","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545162","9.302","0.0002","9.7698","0.0002","16.9249","0.0004","84.505","0.001","86.765","0.001","71.597","0.001","1452.19","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","1","1","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.54178","CuKα","","0.0513","0.0503","","","0.1414","0.1423","","","","","","1.289","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545163","13.6336","0.0003","14.6369","0.0003","33.2755","0.0007","90","","89.215","0.002","90","","6639.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H93 N11 O11 -","- C55 H93 N11 O11 -","- C220 H372 N44 O44 -","4","2","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.5418","CuKα","","0.1879","0.1544","","","0.3885","0.4276","","","","","","1.383","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545166","9.9986","0.0015","18.897","0.003","12.05","0.0019","90","","91.502","0.006","90","","2276","0.6","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H57 F7 N3 O12 P -","- C41 H57 F7 N3 O12 P -","- C82 H114 F14 N6 O24 P2 -","2","1","","Saito, Fumito; Bode, Jeffrey W.","Synthesis and stabilities of peptide-based [1]rotaxanes: molecular grafting onto lasso peptide scaffolds","Chem. Sci.","2017","8","4","2878","","10.1039/C7SC00021A","","x-ray","0.71073","MoKα","","0.0486","0.0366","","","0.0686","0.0732","","","","","","1.013","","","","has coordinates","195002","2020-10-21","18:00:00",""
"1545174","13.0121","0.001","5.2339","0.0004","19.82","0.0016","90","","90","","90","","1349.82","0.18","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 B Cl O3 -","- C15 H12 B Cl O3 -","- C60 H48 B4 Cl4 O12 -","4","1","","Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta","Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids.","Chemical science","2017","8","4","3026","3030","10.1039/c6sc04522g","","","0.71073","MoKα","","0.0551","0.0394","","","0.1151","0.1266","","","","","","0.969","","","","has coordinates","196337","2020-10-21","18:00:00",""
"1545175","9.16074","0.00006","6.01447","0.00004","10.6243","0.0001","90","","92.073","0.001","90","","584.984","0.008","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(2S,3R,3aR,7aS)-5-Oxo-2-phenylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0714","0.0716","","","","","","1.073","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545176","5.5604","0.0001","6.6895","0.0001","33.0826","0.0005","90","","90","","90","","1230.55","0.03","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2R,3S,3aR,7aS)-5-Oxo-2-pentylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0702","0.0711","","","","","","1.088","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545177","8.9615","0.00009","10.02283","0.0001","17.71277","0.00019","90","","90","","90","","1590.95","0.03","100.01","0.1","100.15","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aS,7aR)-3-(1,3-dioxolan-2-yl)-2-phenyltetrahydro-4H,6H-spiro[furo[2,3-b]pyran-5,2'-[1,3]dioxolane]","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","","1.54184","CuKα","","0.0255","0.0246","","","0.0631","0.0638","","","","","","1.0626","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1545178","6.8159","0.0003","9.972","0.0005","17.7839","0.0008","90","","98.748","0.002","90","","1194.68","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0312","0.0307","","","0.0865","0.0868","","","","","","1.109","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545179","15.3538","0.0006","4.3958","0.0002","17.1443","0.0006","90","","112.351","0.001","90","","1070.18","0.07","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br N5 O S -","- C8 H8 Br N5 O S -","- C32 H32 Br4 N20 O4 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0227","0.0218","","","0.0555","0.0562","","","","","","1.079","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545180","8.0883","0.0002","10.9716","0.0003","16.0771","0.0004","72.07","0.001","80.273","0.001","86.279","0.002","1337.78","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H15.5 N4 O6.75 S -","- C10 H15.5 N4 O6.75 S -","- C40 H62 N16 O27 S4 -","4","4","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0311","0.0286","","","0.0758","0.0773","","","","","","1.025","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545181","8.598","0.0001","8.598","0.0001","10.5541","0.0002","90","","90","","90","","780.22","0.02","293","2","200","2","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- C2.5 H2.5 Np0.12 -","- C2.5 H2.5 Np0.125 -","- C40 H40 Np2 -","16","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0083","0.0083","","","0.0187","0.0187","","","","","","1.116","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545182","22.6093","0.001","14.7125","0.001","9.0155","0.0005","90","","90.415","0.001","90","","2998.8","0.3","100","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H35 K1.5 Np1.5 O0.5 -","- C32 H30 K1.5 Np1.5 O0.5 -","- C128 H120 K6 Np6 O2 -","4","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0399","0.033","","","0.0753","0.0783","","","","","","1.062","","","","has coordinates,has disorder","195014","2020-10-21","18:00:00",""
"1545183","14.1208","0.0006","8.7037","0.0006","9.5917","0.0005","90","","90","","90","","1178.85","0.11","100","2","173","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C15 H15 Np -","- C15 H15 Np -","- C60 H60 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0145","0.0141","","","0.0355","0.0359","","","","","","1.033","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545184","13.6966","0.0015","8.3864","0.0009","14.6562","0.0016","90","","90","","90","","1683.5","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N2 Np -","- C19 H21 N2 Np -","- C76 H84 N8 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0562","0.0237","","","0.0374","0.0431","","","","","","1.053","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545185","8.298","0.0006","22.1664","0.0017","28.917","0.002","90","","90","","90","","5318.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Np Si3 -","- C24 H39 Np Si3 -","- C192 H312 Np8 Si24 -","8","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0866","0.0393","","","0.049","0.0567","","","","","","1.027","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545242","15.3026","0.0006","12.0184","0.0004","10.1214","0.0004","90","","90.552","0.003","90","","1861.37","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-bromophenyl)-2-fluoro-N-phenylchromane-5-carboxamide","","- C22 H17 Br F N O2 -","- C22 H17 Br F N O2 -","- C88 H68 Br4 F4 N4 O8 -","4","1","","Thornbury, Richard T.; Saini, Vaneet; Fernandes, Talita de A; Santiago, Celine B.; Talbot, Eric P. A.; Sigman, Matthew S.; McKenna, Jeffrey M.; Toste, F. Dean","The development and mechanistic investigation of a palladium-catalyzed 1,3-arylfluorination of chromenes.","Chemical science","2017","8","4","2890","2897","10.1039/c6sc05102b","","","1.54178","CuKα","","0.0447","0.0372","","","0.0915","0.0963","","","","","","1.038","","","","has coordinates","196342","2020-10-21","18:00:00",""
"1545255","10.4852","0.001","10.4852","0.001","23.308","0.003","90","","90","","120","","2219.2","0.4","240","0.14","240","0.14","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F7.99 Fe N24 -","- C60 H60 B4 F15.98 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","x-ray","0.71073","MoKα","","0.2252","0.1085","","","0.2302","0.3038","","","","","","1.055","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545256","10.369","0.0005","10.369","0.0005","22.9628","0.0015","90","","90","","120","","2138.1","0.2","120","2","120.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F8 Fe N24 -","- C60 H60 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","","0.71073","MoKα","","0.1389","0.109","","","0.2739","0.2978","","","","","","1.08","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545257","10.55931","0.00006","10.55931","0.00006","23.6672","0.0002","90","","90","","120","","2285.33","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.12 H30 Cl2 Fe N24 O10.24 -","- C31.1232 H30 Cl2 Fe N24 O10.2464 -","- C62.2464 H60 Cl4 Fe2 N48 O20.4928 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","2.183","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545258","10.52034","0.00006","10.52034","0.00006","23.5917","0.0003","90","","90","","120","","2261.25","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.63 H33.26 Cl2 Fe N24 O8 -","- C31.6356 H33.2712 Cl2 Fe N24 O8 -","- C63.2712 H66.5424 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.919","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545259","10.5426","0.0002","10.5426","0.0002","23.6588","0.0005","90","","90","","120","","2277.29","0.08","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C61.56 H66.24 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.285","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545260","10.57127","0.0001","10.57127","0.0001","23.4813","0.00037","90","","90","","120","","2272.52","0.05","298","","298","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C62.088 H60 B4 F16 Fe2 N48 O4.176 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.271","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545261","10.57281","0.000077","10.57281","0.000077","23.49996","0.00033","90","","90","","120","","2274.99","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.8 H33.6 B2 F8 Fe N24 -","- C31.7976 H33.5952 B2 F8 Fe N24 -","- C63.5952 H67.1904 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.738","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545262","10.5681","0.00007","10.5681","0.00007","23.4989","0.0003","90","","90","","120","","2272.86","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.84 H33.36 B2 F8 Fe N24 -","- C30.84 H33.36 B2 F8 Fe N24 -","- C61.68 H66.72 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.442","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545263","18.258","0.003","11.064","0.0009","14.334","0.0013","90","","101.816","0.005","90","","2834.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Co N4 O9 -","- C24 H26 Cl2 Co N4 O9 -","- C96 H104 Cl8 Co4 N16 O36 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","x-ray","0.71073","MoKα","","0.1511","0.0786","","","0.168","0.2024","","","","","","1.066","","","","has coordinates","196336","2020-10-21","18:00:00",""
"1545264","18.0546","0.0011","11.9616","0.0007","13.4228","0.0007","90","","105.413","0.003","90","","2794.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl2 Co N4 O8 -","- C24 H24 Cl2 Co N4 O8 -","- C96 H96 Cl8 Co4 N16 O32 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","","0.71073","MoKα","","0.1351","0.0805","","","0.2239","0.265","","","","","","0.972","","","","has coordinates","196336","2020-10-21","18:00:00",""
"1545265","9.728","0.0012","18.602","0.002","21.538","0.003","90","","95.419","0.002","90","","3880.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ClOlumboleRuthenocene","","- C38 H55 Cl Pb Ru Si2 -","- C38 H55 Cl Pb Ru Si2 -","- C152 H220 Cl4 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0699","0.0361","","","0.0603","0.0671","","","","","","1.023","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545266","10.393","0.0005","22.3163","0.001","39.5129","0.0017","90","","90","","90","","9164.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IodoPlumboleRuthenocene","","- C44 H69 I Pb Ru Si2 -","- C44 H69 I Pb Ru Si2 -","- C352 H552 I8 Pb8 Ru8 Si16 -","8","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.069","0.0471","","","0.0918","0.0987","","","","","","1.077","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545267","16.7796","0.0015","11.2019","0.0011","21.597","0.002","90","","98.91","0.001","90","","4010.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C162.2 H239.8 Cl0.6 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0289","0.023","","","0.0499","0.0518","","","","","","1.025","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545268","12.7785","0.0007","14.3628","0.0008","15.1226","0.0009","97.836","0.001","96.992","0.001","93.261","0.001","2721.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Anionic PlumboleRuthenocene","","- C54 H87 Li O4 Pb Ru Si2 -","- C54 H87 Li O4 Pb Ru Si2 -","- C108 H174 Li2 O8 Pb2 Ru2 Si4 -","2","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0467","0.038","","","0.0831","0.0872","","","","","","1.005","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545280","22.851","0.007","9.929","0.003","16.292","0.008","90","","131.487","0.002","90","","2769","1.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PNPRh(C2F4)","PNPRh(C2F4)","","- C28 H40 F4 N P2 Rh -","- C28 H40 F4 N P2 Rh -","- C112 H160 F16 N4 P8 Rh4 -","4","0.5","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0327","0.0293","","","0.0836","0.0862","","","","","","1.045","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545281","16.693","0.006","16.565","0.006","9.888","0.004","90","","90","","90","","2734.2","1.8","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","none(PNP)Rh=CF2","(PNP)Rh=CF2","","- C27 H40 F2 N P2 Rh -","- C27 H40 F2 N P2 Rh -","- C108 H160 F8 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.053","0.0357","","","0.0751","0.0828","","","","","","1.062","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545282","20.427","0.005","19.756","0.005","11.606","0.003","90","","90","","90","","4684","2","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","[(PNP)RhCF][CHB11Cl11]","[(PNP)RhCF][CHB11Cl11]","","- C28 H41 B11 Cl11 F N P2 Rh -","- C28 H41 B11 Cl11 F N P2 Rh -","- C112 H164 B44 Cl44 F4 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0683","0.059","","","0.1451","0.1511","","","","","","1.075","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545287","12.2247","0.0006","12.3904","0.0005","15.0274","0.0007","106.67","0.004","96.765","0.004","118.889","0.003","1817.8","0.18","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","1","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.049","0.0339","","","0.0758","0.0799","","","","","","0.953","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545288","10.9869","0.0006","18.6852","0.001","13.1285","0.0007","90","","108.876","0.004","90","","2550.2","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 Cl2 Cu2 N5 O17 -","- C40 H71 Cl2 Cu2 N5 O17 -","- C80 H142 Cl4 Cu4 N10 O34 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0704","0.0566","","","0.1478","0.156","","","","","","1.074","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545289","16.6993","0.0005","15.6606","0.0005","17.7512","0.0006","90","","92.035","0.002","90","","4639.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Cl2 Cu2 N4 O17 -","- C36 H64 Cl2 Cu2 N4 O17 -","- C144 H256 Cl8 Cu8 N16 O68 -","4","1","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0993","0.0669","","","0.147","0.1623","","","","","","1.055","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545290","14.5909","0.0004","12.6902","0.0003","20.135","0.0006","90","","90","","90","","3728.23","0.17","133","2","133","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C34 H58 Cu2 N4 O8 -","- C34 H58 Cu2 N4 O8 -","- C136 H232 Cu8 N16 O32 -","4","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0462","0.0434","","","0.0924","0.0938","","","","","","1.192","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545291","9.5488","0.0004","11.0676","0.0003","18.7942","0.0007","90","","101.996","0.003","90","","1942.84","0.12","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cu2 F6 N4 O12 S2 -","- C28 H46 Cu2 F6 N4 O12 S2 -","- C56 H92 Cu4 F12 N8 O24 S4 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0387","0.0321","","","0.08","0.0824","","","","","","1.089","","","","has coordinates","196339","2020-10-21","18:00:00",""
"1545338","8.6742","0.0003","8.6742","0.0003","25.3428","0.001","90","","90","","90","","1906.84","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ce N O8 Pt2 S8 -","- C24 H44 Ce N O8 Pt2 S8 -","- C48 H88 Ce2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.03","0.0175","","","0.0321","0.0362","","","","","","1.115","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545339","8.5991","0.0003","8.5991","0.0003","25.4694","0.0009","90","","90","","90","","1883.32","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ho N O8 Pt2 S8 -","- C24 H44 Ho N O8 Pt2 S8 -","- C48 H88 Ho2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0262","0.017","","","0.0284","0.0306","","","","","","1.1019","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545340","8.6867","0.0004","8.6867","0.0004","25.3813","0.0015","90","","90","","90","","1915.24","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 La N O8 Pt2 S8 -","- C24 H44 La N O8 Pt2 S8 -","- C48 H88 La2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0466","0.0287","","","0.0489","0.0537","","","","","","1.1112","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545341","8.5697","0.0003","8.5697","0.0003","25.5067","0.001","90","","90","","90","","1873.21","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Lu N O8 Pt2 S8 -","- C24 H44 Lu N O8 Pt2 S8 -","- C48 H88 Lu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0243","0.0172","","","0.0365","0.0396","","","","","","1.1172","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545342","8.6502","0.0003","8.6502","0.0003","25.3992","0.0011","90","","90","","90","","1900.52","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N Nd O8 Pt2 S8 -","- C24 H44 N Nd O8 Pt2 S8 -","- C48 H88 N2 Nd2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0234","0.0166","","","0.0603","0.0671","","","","","","1.0324","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545343","8.6615","0.0004","8.6615","0.0004","25.413","0.0014","90","","90","","90","","1906.52","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pr Pt2 S8 -","- C24 H44 N O8 Pr Pt2 S8 -","- C48 H88 N2 O16 Pr2 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0231","0.015","","","0.0303","0.0329","","","","","","1.0796","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545344","8.6302","0.0003","8.6302","0.0003","25.4187","0.0009","90","","90","","90","","1893.19","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Sm -","- C24 H44 N O8 Pt2 S8 Sm -","- C48 H88 N2 O16 Pt4 S16 Sm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0213","0.014","","","0.0292","0.0321","","","","","","1.0902","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545345","8.6098","0.0011","8.6098","0.0011","25.515","0.004","90","","90","","90","","1891.4","0.5","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Dy N O8 Pt2 S8 -","- C24 H44.0001 Dy N O8 Pt2 S8 -","- C48 H88.0002 Dy2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0283","0.0182","","","0.0374","0.0409","","","","","","1.0728","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545346","8.5844","0.0004","8.5844","0.0004","25.5043","0.0014","90","","90","","90","","1879.46","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tm -","- C24 H44 N O8 Pt2 S8 Tm -","- C48 H88 N2 O16 Pt4 S16 Tm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0325","0.0189","","","0.0336","0.0374","","","","","","1.0957","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545347","8.5854","0.0004","8.5854","0.0004","25.5257","0.0015","90","","90","","90","","1881.48","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Y -","- C24 H44 N O8 Pt2 S8 Y -","- C48 H88 N2 O16 Pt4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0225","0.0143","","","0.0296","0.0327","","","","","","1.0591","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545348","8.5693","0.0004","8.5693","0.0004","25.5201","0.0014","90","","90","","90","","1874.02","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Yb -","- C24 H44 N O8 Pt2 S8 Yb -","- C48 H88 N2 O16 Pt4 S16 Yb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0217","0.0145","","","0.0296","0.033","","","","","","1.0647","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545349","8.5857","0.0003","8.5857","0.0003","25.5107","0.0009","90","","90","","90","","1880.5","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Er N O8 Pt2 S8 -","- C24 H44 Er N O8 Pt2 S8 -","- C48 H88 Er2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0219","0.014","","","0.0295","0.0322","","","","","","1.0967","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545350","8.6049","0.0003","8.6049","0.0003","25.4824","0.0011","90","","90","","90","","1886.83","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tb -","- C24 H44 N O8 Pt2 S8 Tb -","- C48 H88 N2 O16 Pt4 S16 Tb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0298","0.0177","","","0.0347","0.039","","","","","","1.0857","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545351","8.68","0.0004","8.68","0.0004","25.8359","0.0012","90","","90","","90","","1946.54","0.16","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0316","0.021","","","0.0653","0.074","","","","","","1.0425","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545352","8.6134","0.0003","8.6134","0.0003","25.4434","0.0009","90","","90","","90","","1887.66","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0215","0.0164","","","0.0522","0.0559","","","","","","1.0895","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545353","8.6247","0.0003","8.6247","0.0003","25.4329","0.0009","90","","90","","90","","1891.84","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Eu N O8 Pt2 S8 -","- C24 H44 Eu N O8 Pt2 S8 -","- C48 H88 Eu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0232","0.0165","","","0.0339","0.0362","","","","","","1.1136","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545354","8.6832","0.0002","8.6832","0.0002","25.8856","0.0009","90","","90","","90","","1951.72","0.09","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pd2 S8 -","- C24 H44 Gd N O8 Pd2 S8 -","- C48 H88 Gd2 N2 O16 Pd4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.048","0.0283","","","0.048","0.0533","","","","","","1.1018","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545355","8.6638","0.0003","8.6638","0.0003","25.8747","0.0009","90","","90","","90","","1942.19","0.12","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pd2 S8 Y -","- C24 H44 N O8 Pd2 S8 Y -","- C48 H88 N2 O16 Pd4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0378","0.0246","","","0.0467","0.0514","","","","","","1.0878","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545356","12.6485","0.0007","12.6485","0.0007","15.1509","0.0008","90","","90","","90","","2423.9","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Dy O8 P Pt2 S8 -","- C40 H44 Dy O8 P Pt2 S8 -","- C80 H88 Dy2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0478","0.0245","","","0.0357","0.0405","","","","","","1.007","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545357","12.6436","0.0005","12.6436","0.0005","15.1616","0.0007","90","","90","","90","","2423.74","0.18","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Y -","- C40 H44 O8 P Pt2 S8 Y -","- C80 H88 O16 P2 Pt4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0242","0.0176","","","0.0344","0.0363","","","","","","1.0376","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545358","12.8","0.002","12.8","0.002","15.345","0.003","90","","90","","90","","2514.1","0.7","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.037","0.0254","","","0.0581","0.064","","","","","","1.051","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545359","12.6459","0.0004","12.6459","0.0004","15.14","0.0005","90","","90","","90","","2421.17","0.13","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Ho O8 P Pt2 S8 -","- C40 H44 Ho O8 P Pt2 S8 -","- C80 H88 Ho2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.032","0.0201","","","0.0371","0.0403","","","","","","1.034","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545360","12.6486","0.0006","12.6486","0.0006","15.1552","0.001","90","","90","","90","","2424.6","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Tb -","- C40 H44 O8 P Pt2 S8 Tb -","- C80 H88 O16 P2 Pt4 S16 Tb2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.038","0.0224","","","0.0354","0.0388","","","","","","1.0491","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545361","12.6662","0.0005","12.6662","0.0005","15.1584","0.0006","90","","90","","90","","2431.9","0.17","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0248","0.0175","","","0.0351","0.0375","","","","","","1.0535","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545362","12.6367","0.0004","12.6367","0.0004","15.1479","0.0006","90","","90","","90","","2418.91","0.14","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Er O8 P Pt2 S8 -","- C40 H44 Er O8 P Pt2 S8 -","- C80 H88 Er2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0333","0.0207","","","0.0373","0.0407","","","","","","1.0381","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545363","12.8122","0.0007","12.8122","0.0007","15.3823","0.0007","90","","90","","90","","2525","0.2","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pd2 S8 -","- C40 H44 Gd O8 P Pd2 S8 -","- C80 H88 Gd2 O16 P2 Pd4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0577","0.0399","","","0.0915","0.1008","","","","","","1.0199","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545364","12.8004","0.0005","12.8004","0.0005","15.373","0.0006","90","","90","","90","","2518.87","0.17","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pd2 S8 Y -","- C40 H44 O8 P Pd2 S8 Y -","- C80 H88 O16 P2 Pd4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0667","0.049","","","0.1287","0.1424","","","","","","1.0281","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545365","9.17488","0.00014","19.0562","0.0003","30.0078","0.0006","90","","93.281","0.0017","90","","5237.91","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 B Mg N3 O3 -","- C55 H80 B Mg N3 O3 -","- C220 H320 B4 Mg4 N12 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0623","0.0472","","","0.1163","0.1262","","","","","","1.017","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545366","11.59209","0.00014","26.2784","0.0003","12.80407","0.00016","90","","91.4753","0.0011","90","","3899.1","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Mg N3 O -","- C42 H59 Mg N3 O -","- C168 H236 Mg4 N12 O4 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0473","0.0367","","","0.0894","0.0952","","","","","","1.017","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545367","13.48093","0.00017","14.64625","0.00015","18.8268","0.0002","90","","94.1686","0.0012","90","","3707.42","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H57 B Mg N2 O3 -","- C35 H53 B Mg N2 O3 -","- C140 H212 B4 Mg4 N8 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0607","0.0482","","","0.123","0.1306","","","","","","1.024","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545368","11.549","0.0002","33.161","0.0006","13.3198","0.0002","90","","105.633","0.001","90","","4912.46","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 B2 N O5 -","- C22 H37 B2 N O5 -","- C176 H296 B16 N8 O40 -","8","2","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","0.71073","MoKα","","0.0775","0.0498","","","0.1237","0.139","","","","","","1.011","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545369","9.7577","0.0002","9.7577","0.0002","17.8748","0.0004","90","","90","","120","","1473.9","0.05","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C19 H30 B N O3 -","- C19 H30 B N O3 -","- C57 H90 B3 N3 O9 -","3","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","1.54184","CuKα","","0.0433","0.0413","","","0.1037","0.1053","","","","","","1.049","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545370","10.0273","0.0004","12.4499","0.0007","21.5324","0.0009","90","","90","","90","","2688.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 B2 N O5 -","- C25 H43 B2 N O5 -","- C100 H172 B8 N4 O20 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","0.71073","MoKα","","0.0879","0.0529","","","0.0897","0.101","","","","","","1.049","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545478","26.9274","0.0003","5.87596","0.00008","29.0682","0.0004","90","","90.0555","0.0012","90","","4599.29","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H33 Cl2 N O3 S -","- C23 H33 Cl2 N O3 S -","- C184 H264 Cl16 N8 O24 S8 -","8","1","","Saint-Dizier, François; Simpkins, Nigel S.","First total synthesis of concavine","Chem. Sci.","2017","8","5","3384","","10.1039/C6SC05627J","","x-ray","1.54184","CuKα","","0.0791","0.0754","","","0.2209","0.2247","","","","","","1.094","","","","has coordinates","196333","2020-10-21","18:00:00",""
"1545511","10.2323","0.0006","13.2844","0.0007","16.9919","0.0009","100.164","0.003","104.521","0.002","95.151","0.002","2179","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H62 N6 Ti -","- C47 H62 N6 Ti -","- C94 H124 N12 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0639","0.0444","","","0.1066","0.1178","","","","","","1.026","","","","has coordinates,has disorder","196330","2020-10-21","18:00:00",""
"1545512","18.3497","0.0006","10.3436","0.0003","25.5974","0.0008","90","","108.022","0.002","90","","4620.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 N4 P Ti -","- C46 H55 N4 P Ti -","- C184 H220 N16 P4 Ti4 -","4","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0672","0.0471","","","0.1205","0.134","","","","","","1.048","","","","has coordinates","196330","2020-10-21","18:00:00",""
"1545513","13.1179","0.0008","13.2082","0.0008","13.7748","0.0008","105.738","0.003","99.727","0.003","98.022","0.003","2220.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H62 N4 O Ti -","- C49 H62 N4 O Ti -","- C98 H124 N8 O2 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0532","0.0433","","","0.1131","0.1215","","","","","","1.041","","","","has coordinates,has disorder","196330","2020-10-21","18:00:00",""
"1545515","8.4867","0.0002","11.5788","0.0002","16.5698","0.0004","90","","92.762","0.004","90","","1626.35","0.06","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 I2 -","- C16 H16 I2 -","- C64 H64 I8 -","4","2","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0357","0.0335","","","0.0767","0.0786","","","","","","1.07","","","","has coordinates,has disorder","196325","2020-10-21","18:00:00",""
"1545516","11.4988","0.0003","15.9491","0.0003","8.2449","0.0002","90","","97.906","0.001","90","","1497.71","0.06","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C64 H56 I8 -","4","1","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0467","0.0383","","","0.0866","0.0932","","","","","","1.058","","","","has coordinates,has disorder","196325","2020-10-21","18:00:00",""
"1545517","10.2417","0.0008","17.4702","0.0014","18.1698","0.0015","117.24","0.003","90.58","0.003","92.649","0.003","2885.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 N7 O7 S -","- C66 H62 N7 O7 S -","- C132 H124 N14 O14 S2 -","2","1","","Martinez-Cuezva, Alberto; Saura-Sanmartin, Adrian; Nicolas-Garcia, Tomas; Navarro, Cristian; Orenes, Raul-Angel; Alajarin, Mateo; Berna, Jose","Photoswitchable interlocked thiodiglycolamide as a cocatalyst of a chalcogeno-Baylis‒Hillman reaction","Chem. Sci.","2017","8","5","3775","","10.1039/C7SC00724H","","","1.54178","CuKα","","0.0497","0.0446","","","0.1443","0.1477","","","","","","1.175","","","","has coordinates,has disorder","196327","2020-10-21","18:00:00",""
"1545518","10.807","0.0002","27","0.0005","28.2406","0.0005","90","","90","","90","","8240.3","0.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1622","0.0734","","","0.1752","0.2217","","","","","","0.956","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545519","7.3568","0.0006","10.0126","0.0008","10.8607","0.0009","110.106","0.008","95.309","0.007","106.922","0.008","702.02","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","1","0.5","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1099","0.0797","","","0.1724","0.1943","","","","","","1.027","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545520","10.7343","0.0003","12.0336","0.0003","28.9712","0.0007","90","","90","","90","","3742.28","0.17","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Cl F3 N5 O2 -","- C19 H13 Cl F3 N5 O2 -","- C152 H104 Cl8 F24 N40 O16 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.0974","0.0745","","","0.1069","0.1159","","","","","","0.89","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545527","13.7779","0.0004","14.7189","0.0004","21.2291","0.0006","90","","90","","90","","4305.2","0.2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 N2 Na O7 P3 -","- C40 H58 N2 Na O7 P3 -","- C160 H232 N8 Na4 O28 P12 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0649","0.0622","","","0.1736","0.1762","","","","","","1.055","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545528","14.0829","0.0009","20.6872","0.0019","15.9795","0.0014","90","","99.559","0.005","90","","4590.8","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B F15 N2 O P2 -","- C45 H38 B F15 N2 O P2 -","- C180 H152 B4 F60 N8 O4 P8 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.1148","0.0572","","","0.1234","0.1501","","","","","","0.983","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545529","12.9335","0.0012","20.866","0.0018","10.2861","0.0009","90","","90","","90","","2775.9","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H41 B N2 O P2 -","- C27.0002 H41 B1.0002 N2 O1.0002 P2 -","- C108.001 H164 B4.0008 N8 O4.0008 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0641","0.0597","","","0.1716","0.1764","","","","","","1.082","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545530","14.6157","0.0011","18.3339","0.0015","23.554","0.002","85.401","0.007","81.374","0.006","78.671","0.005","6110.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","10_polym","","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","1","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.1025","0.085","","","0.2248","0.2404","","","","","","1.02","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545531","21.5089","0.0011","17.8123","0.0009","9.2449","0.0005","90","","90","","90","","3541.9","0.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","AdamPPCO","","- C38 H53 N3 O P2 -","- C38 H53 N3 O P2 -","- C152 H212 N12 O4 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.0724","0.0483","","","0.1031","0.114","","","","","","1.059","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545532","27.6426","0.0013","11.7291","0.0006","24.5253","0.0012","90","","103.246","0.002","90","","7740.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H99 N5 Na2 O11 P6 -","- C70 H99 N5 Na2 O11 P6 -","- C280 H396 N20 Na8 O44 P24 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0409","0.0355","","","0.0924","0.0961","","","","","","1.029","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545533","7.472","0.0015","20.571","0.004","24.604","0.005","69.4","0.03","84.5","0.03","85.66","0.03","3520.1","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56.5 H55.25 N8 O17.25 -","- C56 H53.25 N8 O16.25 -","- C112 H106.5 N16 O32.5 -","2","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.77492","synchrotron","","0.163","0.13","","","0.3808","0.4082","","","","","","1.643","","","","has coordinates","196328","2020-10-21","18:00:00",""
"1545534","34.1155","0.0011","45.9981","0.0011","33.3135","0.0014","90","","109.407","0.004","90","","49307","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172 H112 Ca2 N32 O111 S8 -","- C172 H112 Ca2 N32 O111 S8 -","- C1376 H896 Ca16 N256 O888 S64 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2003","0.1324","","","0.3635","0.4119","","","","","","1.48","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545535","28.255","0.004","51.842","0.007","30.331","0.004","90","","110.957","0.002","90","","41490","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C103 H97 N16 O38.5 -","- C99.25 H57.5 N16 O33.75 -","- C1588 H920 N256 O540 -","16","4","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2844","0.1773","","","0.4532","0.5229","","","","","","1.688","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545536","34.859","0.007","29.286","0.006","51.432","0.01","90","","90","","90","","52506","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C1644 H1084 Ca50 N256 O660 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.8856","synchrotron","","0.1603","0.1568","","","0.5004","0.5118","","","","","","2.893","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545543","25.3774","0.0004","8.3627","0.0002","19.7264","0.0004","90","","116.32","0.001","90","","3752.41","0.14","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H50 Cl2 N2 O12 Pd3 -","- C29 H50 Cl2.0001 N2 O12 Pd3 -","- C116 H200 Cl8.0004 N8 O48 Pd12 -","4","0.5","","He, Chuan; Gaunt, Matthew J.","Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines","Chem. Sci.","2017","8","5","3586","","10.1039/C7SC00468K","","","0.71073","MoKα","","0.068","0.0503","","","0.1271","0.1375","","","","","","1.023","","","","has coordinates","196326","2020-10-21","18:00:00",""
"1545549","28.579","0.008","28.912","0.008","33.323","0.008","90","","90","","90","","27534","13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H48 N8 S9 U2 -","- C61 H48 N8 S9 U2 -","- C732 H576 N96 S108 U24 -","12","3","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54187","CuKα","","0.1886","0.1684","","","0.4167","0.4471","","","","","","1.456","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545550","17.3745","0.0005","34.224","0.0008","17.013","0.0005","90","","112.037","0.003","90","","9377.3","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H112 N8 O2 S2 U2 -","- C100 H112 N8 O2 S2 U2 -","- C400 H448 N32 O8 S8 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0648","0.039","","","0.0916","0.1019","","","","","","0.804","","","","has coordinates","196334","2020-10-21","18:00:00",""
"1545551","15.9605","0.0003","16.6905","0.0003","18.0699","0.0004","67.132","0.002","86.551","0.002","82.45","0.002","4396.61","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H105 N8 O2 S U2 -","- C101 H105 N8 O2 S U2 -","- C202 H210 N16 O4 S2 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0771","0.0581","","","0.1282","0.1407","","","","","","1.049","","","","has coordinates","196334","2020-10-21","18:00:00",""
"1545552","29.6933","0.0004","29.9161","0.0004","10.8656","0.0001","90","","90","","90","","9652","0.2","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C106 H130 B K N8 O5 U2 -","- C106 H130 B K N8 O5 U2 -","- C424 H520 B4 K4 N32 O20 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54184","CuKα","","0.0626","0.047","","","0.1173","0.1305","","","","","","1.064","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545553","15.5798","0.0008","33.7862","0.0017","20.7334","0.0012","90","","105.543","0.006","90","","10514.6","1","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H138 B N8 Na O6 U2 -","- C110 H138 B N8 Na O6 U2 -","- C440 H552 B4 N32 Na4 O24 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0948","0.0586","","","0.0996","0.1078","","","","","","1.081","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545595","10.8957","0.0014","13.0496","0.0016","13.9607","0.0017","101.403","0.002","109.481","0.002","104.921","0.002","1718.4","0.4","150","2","149.75","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 O3 P -","- C39 H50.988 O3 P -","- C78 H101.976 O6 P2 -","2","1","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0761","0.0542","","","0.1362","0.1506","","","","","","1.052","","","","has coordinates,has disorder","196329","2020-10-21","18:00:00",""
"1545596","10.2109","0.0013","18.659","0.002","35.308","0.004","90","","94.153","0.002","90","","6709.4","1.4","150","2","149.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 O3 P -","- C38.9645 H50.855 O3 P -","- C311.716 H406.84 O24 P8 -","8","2","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0787","0.0578","","","0.1415","0.1548","","","","","","1.022","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545630","8.366","0.0014","21.114","0.003","7.4894","0.0014","90","","111.841","0.009","90","","1228","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Jeganmohan, Masilamani; Reddy, Mallu Chenna","Total Synthesis of Aristolactam Alkaloids via Synergistic C-H Bond Activation and Dehydro-Diels-Alder Reactions","Chem. Sci.","2017","","","","","10.1039/C7SC00161D","","","0.71073","MoKα","","0.1164","0.0581","","","0.1402","0.1742","","","","","","0.897","","","","has coordinates","194461","2020-10-21","18:00:00",""
"1545631","12.2308","0.0002","12.6838","0.0002","13.0436","0.0009","83.137","0.006","68.061","0.005","70.096","0.005","1764.77","0.15","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0974","0.08","","","0.2156","0.2652","","","","","","1.21","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545632","12.4864","0.0012","12.4925","0.0012","13.6444","0.0012","65.751","0.009","82.594","0.007","69.191","0.009","1813.6","0.3","270","2","270","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0701","0.048","","","0.1203","0.1397","","","","","","1","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545633","12.43","0.003","12.336","0.003","13.183","0.003","111.83","0.03","99.23","0.03","66.05","0.03","1714.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","Synchrotron","","0.0884","0.0578","","","0.1453","0.1616","","","","","","1.041","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545634","12.4632","0.0003","12.6561","0.0003","13.365","0.0009","83.298","0.006","67.3","0.005","69.644","0.005","1823","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0965","0.0804","","","0.2206","0.2624","","","","","","1.152","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545635","12.0127","0.0013","12.6193","0.0013","13.2123","0.0014","110.546","0.004","92.31","0.004","111.271","0.002","1715.2","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H23 F3 Fe I2 N5 O5 S -","- C35 H23 F3 Fe I2 N5 O5 S -","- C70 H46 F6 Fe2 I4 N10 O10 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0662","0.0539","","","0.1416","0.147","","","","","","1.097","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545636","11.476","0.0012","13.0698","0.0016","13.4649","0.0016","71.342","0.011","87.437","0.009","68.674","0.011","1776.5","0.4","170","0.1","170","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.7107","MoKα","","0.0664","0.0433","","","0.0924","0.1101","","","","","","1.041","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545637","11.5003","0.0002","13.1342","0.0003","13.5498","0.001","71.652","0.005","87.488","0.006","68.858","0.005","1806.23","0.17","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0957","0.0841","","","0.2191","0.2653","","","","","","1.208","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545638","11.5289","0.0009","13.1814","0.0011","13.6233","0.0012","71.947","0.005","87.644","0.006","68.871","0.005","1830.2","0.3","292","2","292","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1089","0.0809","","","0.1889","0.2282","","","","","","1.114","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545639","12.232","0.002","12.547","0.003","13.279","0.003","81.89","0.03","67.04","0.03","68.25","0.03","1742.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","synchrotron","","0.0537","0.05","","","0.1238","0.1305","","","","","","1.063","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545640","10.3759","0.0004","12.8053","0.0005","13.8091","0.001","79.08","0.006","76.267","0.005","86.609","0.006","1749.85","0.17","137","2","137","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.093","0.0829","","","0.2156","0.2451","","","","","","1.205","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545641","10.3585","0.0006","12.9759","0.0006","14.1074","0.0003","78.558","0.006","76.606","0.006","86.265","0.004","1807.59","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1158","0.092","","","0.2474","0.3028","","","","","","1.151","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545642","12.0803","0.0004","14.827","0.0005","13.7314","0.0005","90","","114.984","0.001","90","","2229.35","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O5 -","- C23 H30 N2 O5 -","- C92 H120 N8 O20 -","4","1","","Liu, Shunying; Jiang, Jun; Chen, Jianghui; Wei, Qinghua; Yao, Wenfeng; Xia, Fei; Hu, Wenhao","A DFT Calculation-inspiring Rh(I)-catalyzed Reaction via Suppression of α-H Shift in α-Alkyldiazoacetates","Chem. Sci.","2017","","","","","10.1039/C7SC00257B","","","0.71073","MoKα","","0.0689","0.047","","","0.1285","0.1483","","","","","","1.038","","","","has coordinates","194463","2020-10-21","18:00:00",""
"1545678","9.8938","0.0009","13.3712","0.0012","15.521","0.0014","64.492","0.001","78.484","0.001","71.755","0.001","1755","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","[?5:Cs(diglyme)?6-K:?3-K(diglyme)(corannulene trianion)]","","- C32 H38 Cs K2 O6 -","- C32 H38 Cs K2 O6 -","- C64 H76 Cs2 K4 O12 -","2","1","","Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A.","Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts","Chem. Sci.","2017","8","4","3137","","10.1039/C6SC05370J","","","0.71073","MoKα","","0.0549","0.0497","","","0.1158","0.1204","","","","","","1.048","","","","has coordinates,has disorder","194904","2020-10-21","18:00:00",""
"1545688","21.1207","0.0014","11.2623","0.0008","22.7007","0.0015","90","","114.329","0.001","90","","4920.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C95 H112 B2 Cl6 F8 Ir2 N10 S2 -","- C95 H112 B2 Cl6 F8 Ir2 N10 S2 -","- C190 H224 B4 Cl12 F16 Ir4 N20 S4 -","2","0.5","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0554","0.0406","","","0.0902","0.0971","","","","","","1.039","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545689","20.444","0.001","18.957","0.001","20.8205","0.0011","90","","90","","90","","8069.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H53 B F4 Ir N5 -","- C42 H53 B F4 Ir N5 -","- C336 H424 B8 F32 Ir8 N40 -","8","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0571","0.031","","","0.0676","0.0789","","","","","","1.03","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545690","11.1839","0.0007","11.2131","0.0007","19.4442","0.0012","89.534","0.001","80.579","0.001","85.221","0.001","2397.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H57 B Cl2 F4 Ir N5 -","- C49.003 H57.006 B Cl2.003 F4 Ir N5 -","- C98.006 H114.012 B2 Cl4.006 F8 Ir2 N10 -","2","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0398","0.0331","","","0.0783","0.082","","","","","","1.066","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545698","22.0726","0.0004","22.0726","0.0004","22.0726","0.0004","90","","90","","90","","10753.8","0.3","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","ain834","","","- C28 H20 Co4 F12 N4 O12 -","- C28 H20 Co4 F12 N4 O12 -","- C336 H240 Co48 F144 N48 O144 -","12","0.25","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0208","0.0198","","","0.0451","0.0456","","","","","","1.108","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545699","11.6403","0.0003","11.6403","0.0003","17.0402","0.0006","90","","90","","90","","2308.89","0.12","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","ain875","","","- C50 H46 Co4 N10 O8 -","- C50 H46 Co4 N10 O8 -","- C100 H92 Co8 N20 O16 -","2","0.25","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0233","0.0219","","","0.0577","0.0585","","","","","","1.094","","","","has coordinates","195271","2020-10-21","18:00:00",""
"1545700","10.785","0.002","32.382","0.006","12.34","0.002","90","","102.579","0.004","90","","4206.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain852","","","- C42 H39 Co4 N9 O11 -","- C42 H39 Co4 N9 O11 -","- C168 H156 Co16 N36 O44 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0578","0.0426","","","0.1083","0.118","","","","","","1.053","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545701","19.215","0.0005","17.7981","0.0005","19.7244","0.0006","90","","90","","90","","6745.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","jw116b","","","- C28 H26 Co4 F6 N4 O12 -","- C28 H26 Co4 F6 N4 O12 -","- C224 H208 Co32 F48 N32 O96 -","8","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0731","0.0482","","","0.1156","0.1292","","","","","","1.048","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545702","12.5503","0.0008","16.0178","0.0011","24.6472","0.0019","90","","96.307","0.001","90","","4924.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain832","","","- C50 H46 Co4 N14 O8 -","- C50 H46 Co4 N14 O8 -","- C200 H184 Co16 N56 O32 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0787","0.0666","","","0.163","0.175","","","","","","1.096","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545703","15.022","0.005","15.858","0.005","19.859","0.005","90","0.005","110","0.005","90","0.005","4445","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ain778b","","","- C31 H34 Cl10 Co4 N4 O12 -","- C31 H34 Cl10 Co4 N4 O12 -","- C124 H136 Cl40 Co16 N16 O48 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0518","0.0399","","","0.0922","0.1009","","","","","","1.035","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545704","13.7564","0.0019","18.978","0.003","19.902","0.003","90","","94.209","0.007","90","","5181.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain825","","","- C44 H64 Co4 N12 O12 -","- C44 H64 Co4 N12 O12 -","- C176 H256 Co16 N48 O48 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0737","0.064","","","0.1607","0.1655","","","","","","1.189","","","","has coordinates","195271","2020-10-21","18:00:00",""
"1545723","8.8331","0.0014","8.9989","0.0016","14.46","0.002","90","","95.546","0.005","90","","1144","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S Te -","- C14 H8 S Te -","- C56 H32 S4 Te4 -","4","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0965","0.0852","","","0.1814","0.1864","","","","","","1.303","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545724","9.6238","0.0013","4.2326","0.0006","13.66","0.002","90","","98.795","0.005","90","","549.88","0.13","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 S Te -","- C14 H8 S Te -","- C28 H16 S2 Te2 -","2","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0385","0.0325","","","0.0669","0.0692","","","","","","1.058","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545725","17.6341","0.0018","5.3422","0.0006","21.002","0.002","90","","90.578","0.002","90","","1978.4","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O2 Te -","- C25 H22 O2 Te -","- C100 H88 O8 Te4 -","4","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0795","0.0431","","","0.082","0.0943","","","","","","1.031","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545726","8.9474","0.0003","8.9474","0.0003","41.253","0.004","90","","90","","90","","3302.5","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H58 Fe2 N2 -","- C34 H58 Fe2 N2 -","- C136 H232 Fe8 N8 -","4","0.5","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0399","0.0328","","","0.0616","0.0636","","","","","","1.062","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545727","10.0731","0.0003","12.2254","0.0003","16.563","0.0005","80.822","0.003","77.884","0.003","66.822","0.003","1826.58","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Fe2 S4 -","- C34 H58 Fe2 S4 -","- C68 H116 Fe4 S8 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0497","0.0373","","","0.0862","0.0925","","","","","","1.042","","","","has coordinates,has disorder","195335","2020-10-21","18:00:00",""
"1545728","11.8548","0.0002","10.3648","0.0002","28.0527","0.0004","90","","91.796","0.002","90","","3445.22","0.1","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Fe2 S2 -","- C34 H58 Fe2 S2 -","- C136 H232 Fe8 S8 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0427","0.0407","","","0.0977","0.099","","","","","","1.114","","","","has coordinates,has disorder","195335","2020-10-21","18:00:00",""
"1545729","13.0954","0.0004","18.8412","0.0006","15.8088","0.0006","90","","107.643","0.004","90","","3717.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Fe2 Se4 -","- C34 H58 Fe2 Se4 -","- C136 H232 Fe8 Se16 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0547","0.0356","","","0.0683","0.0742","","","","","","1.038","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545730","10.3424","0.0004","9.2633","0.0002","18.3885","0.0006","90","","91.346","0.002","90","","1761.22","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Fe2 N2 O2 -","- C36 H58 Fe2 N2 O2 -","- C72 H116 Fe4 N4 O4 -","2","0.5","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0302","0.0269","","","0.0692","0.0702","","","","","","1.078","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545731","11.35137","0.0001","23.7261","0.0002","13.9429","0.0002","90","","93.494","0.002","90","","3748.17","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0327","0.031","","","0.0749","0.0759","","","","","","1.027","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545732","9.8125","0.0008","11.9887","0.001","14.0481","0.0012","95.729","0.004","90.97","0.004","97.25","0.003","1630.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Fe I O P -","- C35 H44 Fe I O P -","- C70 H88 Fe2 I2 O2 P2 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54178","CuKα","","0.0255","0.0246","","","0.0593","0.0598","","","","","","1.085","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545733","15.0303","0.0003","10.4122","0.0002","12.7073","0.0003","90","","90","","90","","1988.67","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 Fe N O3 -","- C20 H29 Fe N O3 -","- C80 H116 Fe4 N4 O12 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0376","0.0343","","","0.0806","0.0825","","","","","","1.034","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545734","10.7445","0.0008","11.3344","0.0008","15.2795","0.0009","109.628","0.006","90.508","0.006","109.886","0.007","1632.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Fe N O2 P -","- C36 H44 Fe N O2 P -","- C72 H88 Fe2 N2 O4 P2 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0453","0.042","","","0.0995","0.1013","","","","","","1.067","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545735","11.0245","0.0007","12.0149","0.0007","14.7311","0.0008","93.174","0.005","91.734","0.005","113.619","0.006","1782.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H58 Fe2 O4 -","- C38 H58 Fe2 O4 -","- C76 H116 Fe4 O8 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0353","0.0329","","","0.0856","0.0873","","","","","","1.054","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545736","12.5204","0.0006","13.0808","0.0007","16.5376","0.0008","77.1659","0.0011","87.1605","0.001","84.1531","0.0011","2626.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H76 Fe3 N6 O2 -","- C59 H75.96 Fe3 N6 O2.04 -","- C118 H151.92 Fe6 N12 O4.08 -","2","1","","Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis","Chem. Sci.","2017","","","","","10.1039/C6SC05583D","","","0.71073","MoKα","","0.0404","0.0304","","","0.082","0.0882","","","","","","1.085","","","","has coordinates,has disorder","195336","2020-10-21","18:00:00",""
"1545737","20.7273","0.0014","11.4948","0.0008","21.957","0.002","90","","112.429","0.003","90","","4835.7","0.7","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H63 F3 Fe3 N6 -","- C45 H63 F3 Fe3 N6 -","- C180 H252 F12 Fe12 N24 -","4","1","","Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis","Chem. Sci.","2017","","","","","10.1039/C6SC05583D","","x-ray","0.71073","MoKα","","0.0421","0.0356","","","0.0899","0.0932","","","","","","1.012","","","","has coordinates","195336","2020-10-21","18:00:00",""
"1545760","7.65703","0.00012","9.51508","0.00016","26.1253","0.0004","90","","90","","90","","1903.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0298","0.0286","","","0.0703","0.071","","","","","","1.09","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545761","8.52078","0.0001","15.6118","0.0002","17.52","0.0002","90","","90","","90","","2330.59","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 B N O4 -","- C27 H30 B N O4 -","- C108 H120 B4 N4 O16 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0795","0.0802","","","","","","1.062","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545762","11.0936","0.0003","14.6662","0.0002","14.75","0.0002","90","","90","","90","","2399.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O6 -","- C25 H32 B N O6 -","- C100 H128 B4 N4 O24 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0394","0.0353","","","0.0832","0.0858","","","","","","1.061","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545763","25.8262","0.0016","25.8262","0.0016","6.8315","0.0004","90","","90","","120","","3946.1","0.4","90","2","90","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)0.58","","","- C8.58 H2 Co2 O6.58 -","- C8.58 H2 Co2 O6.58 -","- C77.22 H18 Co18 O59.22 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0317","0.0274","","","0.0696","0.0718","","","","","","1.07","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545764","25.81","0.008","25.81","0.008","6.901","0.002","90","","90","","120","","3981","2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(N2)3.78","","","- C8 H2 Co2 N7.55 O6 -","- C8 H2 Co2 N7.56 O6 -","- C72 H18 Co18 N68.04 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6199","synchrotron","","0.0805","0.0632","","","0.1233","0.1328","","","","","","1.19","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545765","25.892","0.004","25.892","0.004","6.8482","0.0009","90","","90","","120","","3975.9","1","296.15","","296.15","","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)","","","- C8 H2 Co2 O6 -","- C8 H2 Co2 O6 -","- C72 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0564","0.0485","","","0.137","0.1453","","","","","","1.116","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545766","25.7348","0.0008","25.7348","0.0008","6.8385","0.0002","90","","90","","120","","3922.2","0.2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(P4)1.32","","","- C8 H2 Co2 O6 P5.28 -","- C8 H2 Co2 O6 P5.288 -","- C72 H18 Co18 O54 P47.592 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0902","0.0822","","","0.2465","0.253","","","","","","1.198","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545767","25.86","0.004","25.86","0.004","6.8678","0.001","90","","90","","120","","3977.5","1","90","2","90","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)Ar2","","","- C8 H2 Ar2 Co2 O6 -","- C8 H2 Ar1.998 Co2 O6 -","- C72 H18 Ar17.982 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6525","synchrotron","","0.0637","0.0513","","","0.1272","0.1358","","","","","","1.072","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545768","25.7599","0.0009","25.7599","0.0009","6.8766","0.0003","90","","90","","120","","3951.8","0.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(O2)5.94","","","- C8 H2 Co2 O17.92 -","- C8 H2 Co2 O17.88 -","- C72 H18 Co18 O160.92 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.086","0.0481","","","0.1045","0.1203","","","","","","1.015","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545769","25.866","0.005","25.866","0.005","6.8457","0.0012","90","","90","","120","","3966.5","1.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CH4)2","","","- C10 H10 Co2 O6 -","- C10 H2 Co2 O6 -","- C90 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0558","0.0477","","","0.1205","0.1271","","","","","","1.064","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545770","25.853","0.003","25.853","0.003","6.8494","0.0007","90","","90","","120","","3964.7","0.8","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)1.19","","","- C9.19 H2 Co2 O7.19 -","- C9.18 H2 Co2 O7.18 -","- C82.62 H18 Co18 O64.62 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0491","0.0389","","","0.0978","0.1032","","","","","","1.051","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545771","13.7722","0.0006","39.9563","0.0016","17.7098","0.0007","90","","97.536","0.003","90","","9661.3","0.7","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H83 Cl0 F0 N6 O0 P Pt2 S -","- C72 H83 N6 P Pt2 S -","- C288 H332 N24 P4 Pt8 S4 -","4","1","","Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah","Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors","Chem. Sci.","2017","","","","","10.1039/C7SC00041C","","","0.71073","MoKα","","0.1478","0.078","","","0.2031","0.2237","","","","","","0.893","","","","has coordinates","195606","2020-10-21","18:00:00",""
"1545772","21.3916","0.0007","9.4099","0.0003","16.1292","0.0005","90","","90","","90","","3246.69","0.18","100","","100.04","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H38 Fe2 N6 O19 P2 -","- C19 H38 Fe2 N6 O19 P2 -","- C76 H152 Fe8 N24 O76 P8 -","4","1","","Du, Kang; Waters, Emily Alex; Harris, David David","Ratiometric Quantitation of Redox Status with a Molecular Fe2 Magnetic Resonance Probe","Chem. Sci.","2017","","","","","10.1039/C7SC00562H","","","0.71073","MoKα","","0.0508","0.0497","","","0.1165","0.117","","","","","","1.237","","","","has coordinates,has disorder","195607","2020-10-21","18:00:00",""
"1545773","8.7678","0.0002","10.7305","0.0002","10.8657","0.0002","67.757","0.001","88.911","0.001","87.411","0.001","945.24","0.03","130","","130","","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 F3 O3 -","- C22 H19 F3 O3 -","- C44 H38 F6 O6 -","2","2","","Zhang, Junliang; Zhou, Wei; Wang, Hua-Min; Tao, Mengna; Zhu, Chao-Ze; Lin, Tao-Yan","Phosphine-catalyzed Enantioselective [3+2] Cycloadditions of -Substituted Allenoates with β-Perfluoroalkyl Enones","Chem. Sci.","2017","","","","","10.1039/C7SC01432E","","","1.54178","CuKα","","0.0391","0.0383","","","0.1088","0.1102","","","","","","0.898","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545774","12.9887","0.0007","15.9169","0.0009","15.3964","0.0007","90","","106.699","0.0018","90","","3048.8","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au F6 O P Sb -","- C30 H37 Au F6 O P Sb -","- C120 H148 Au4 F24 O4 P4 Sb4 -","4","1","","Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds","Chem. Sci.","2017","","","","","10.1039/C7SC00145B","","","0.71073","MoKα","","0.022","0.0191","","","0.045","0.0463","","","","","","1.026","","","","has coordinates,has disorder","195609","2020-10-21","18:00:00",""
"1545775","8.429","0.0003","10.7662","0.0003","11.6292","0.0003","90","","94.266","0.002","90","","1052.41","0.05","193","2","193","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Au I P -","- C22 H25 Au I P -","- C44 H50 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds","Chem. Sci.","2017","","","","","10.1039/C7SC00145B","","x-ray","1.54178","CuKα","","0.0451","0.0406","","","0.1109","0.1155","","","","","","0.934","","","","has coordinates","195609","2020-10-21","18:00:00",""
"1545801","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0438","0.0277","","","0.0605","0.066","","","","","","1.137","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545802","8.0135","0.0004","8.427","0.0004","10.7367","0.0005","78.957","0.002","69.565","0.002","89.542","0.001","665.47","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","1,4-butanediammonium tetrabromoplumbate","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C8 H28 Br8 N4 Pb2 -","2","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0638","0.0378","","","0.0712","0.079","","","","","","1.036","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545803","10.6055","0.0013","11.6091","0.0014","11.9312","0.0014","90","","110.061","0.003","90","","1379.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","histammonium tetrabromoplumbate","","- C5 H11 Br4 N3 Pb -","- C5 H11 Br4 N3 Pb -","- C20 H44 Br16 N12 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0292","0.023","","","0.054","0.0562","","","","","","1.065","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545804","24.4632","0.0015","8.0039","0.0004","8.1963","0.0005","90","","99.745","0.002","90","","1581.69","0.16","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-methyl-1,5-pentanediammonium) tetrabromoplumbate","","- C6 H18 Br4 N2 Pb -","- C6 H17 Br4 N2 Pb -","- C24 H68 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0239","0.0199","","","0.043","0.0446","","","","","","1.093","","","","has coordinates,has disorder","195736","2020-10-21","18:00:00",""
"1545805","10.5412","0.0013","11.5023","0.0014","11.925","0.0014","90","","109.996","0.003","90","","1358.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","histammonium tetrabromoplumbate","","- C5 H11 Br4 N3 Pb -","- C5 H11 Br4 N3 Pb -","- C20 H44 Br16 N12 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0222","0.0177","","","0.0394","0.0407","","","","","","1.067","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545806","13.807","0.003","7.9891","0.0014","8.2769","0.0014","90","","104.34","0.006","90","","884.5","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","octanediammonium tetrabromoplumbate","","- C8 H22 Br4 N2 Pb -","- C8 H22 Br4 N2 Pb -","- C16 H44 Br8 N4 Pb2 -","2","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0694","0.0732","","","","","","1.046","","","","has coordinates,has disorder","195736","2020-10-21","18:00:00",""
"1545807","7.7688","0.0003","8.5108","0.0004","24.6314","0.0011","90","","95.197","0.002","90","","1621.9","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-ammonioethyl)-anilinium tetrabromoplumbate","","- C8 H14 Br4 N2 Pb -","- C8 H14 Br4 N2 Pb -","- C32 H56 Br16 N8 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.7749","","","0.078","0.071","","","0.2031","0.2092","","","","","","1.122","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545808","24.7721","0.0012","8.0709","0.0004","56.964","0.003","90","","97.137","0.002","90","","11300.7","1","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(4-ammoniobutanoic acid) tetrabromoplumbate","","- C24 H60 Br12 N6 O12 Pb3 -","- C24 H60 Br12 N6 O12 Pb3 -","- C192 H480 Br96 N48 O96 Pb24 -","8","2","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.1251","0.0493","","","0.0757","0.0928","","","","","","1.013","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545899","16.6451","0.0018","5.8536","0.0006","19.416","0.002","90","","113.818","0.005","90","","1730.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","Zhou, Rong; Liu, Haiwang; Tao, Hairong; Yu, Xingjian; Wu, Jie","Metal-free direct alkylation of unfunctionalized allylic/benzylic sp3 CH bonds via photoredox induced radical cation deprotonation","Chem. Sci.","2017","","","","","10.1039/C7SC00953D","","","1.54178","CuKα","","0.1297","0.0794","","","0.1965","0.2432","","","","","","1.032","","","","has coordinates","195860","2020-10-21","18:00:00",""
"1545908","9.4796","0.0009","15.2993","0.0014","15.5434","0.0014","89.381","0.001","78.419","0.001","77.883","0.001","2158","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H59 Br N6 Ni O Si3 -","- C41 H59 Br N6 Ni O Si3 -","- C82 H118 Br2 N12 Ni2 O2 Si6 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0618","0.0398","","","0.0922","0.1003","","","","","","1.057","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545909","16.4836","0.0019","16.4836","0.0019","26.069","0.003","90","","90","","120","","6134.2","1.2","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C40 H54 Cu N6 Si3 -","- C40 H54 Cu N6 Si3 -","- C240 H324 Cu6 N36 Si18 -","6","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0358","0.0325","","","0.0861","0.0903","","","","","","0.96","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545910","12.834","0.0011","17.1903","0.0015","20.4108","0.0018","90","","98.1684","0.0013","90","","4457.4","0.7","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Mg N6 Si3 -","- C44 H60 Mg N6 Si3 -","- C176 H240 Mg4 N24 Si12 -","4","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0527","0.0408","","","0.103","0.1121","","","","","","1.025","","","","has coordinates,has disorder","195898","2020-10-21","18:00:00",""
"1545911","20.191","0.002","20.191","0.002","20.191","0.002","90","","90","","90","","8231.4","1.4","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Li N6 Si3 -","- C37 H51 Li N6 Si3 -","- C296 H408 Li8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0558","0.0438","","","0.1164","0.1285","","","","","","0.953","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545912","10.1605","0.001","15.4631","0.0016","15.8502","0.0016","65.3205","0.0014","86.4167","0.0016","79.4613","0.0015","2224.4","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H61 N6 Si3 -","- C46 H61 N6 Si3 -","- C92 H122 N12 Si6 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0689","0.055","","","0.1339","0.1402","","","","","","1.09","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545913","11.1387","0.0006","12.298","0.0007","17.7675","0.001","79.0698","0.0009","75.102","0.0009","65.8782","0.0009","2136.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 N6 Si3 Zn -","- C41 H57 N6 Si3 Zn -","- C82 H114 N12 Si6 Zn2 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.117","0.0602","","","0.1248","0.1496","","","","","","1.038","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545914","12.702","0.003","18.819","0.005","18.915","0.005","90","","105.63","0.004","90","","4354.2","1.9","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Br N6 Ni Si3 -","- C43 H57 Br N6 Ni Si3 -","- C172 H228 Br4 N24 Ni4 Si12 -","4","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.158","0.062","","","0.1074","0.1354","","","","","","0.999","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545915","20.1294","0.0017","20.1294","0.0017","20.1294","0.0017","90","","90","","90","","8156.3","1.2","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Cu N6 Si3 -","- C37 H51 Cu N6 Si3 -","- C296 H408 Cu8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0874","0.0511","","","0.1043","0.1177","","","","","","1.022","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545978","11.6661","0.0003","22.7624","0.0005","15.2664","0.0004","90","","108.677","0.001","90","","3840.48","0.17","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cu2.7 Li1.3 N4 -","- C36 H72 Cu2.697 Li1.303 N4 -","- C144 H288 Cu10.788 Li5.212 N16 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0741","0.0501","","","0.1085","0.1167","","","","","","1.055","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545979","11.8638","0.0003","12.043","0.0003","12.2033","0.0003","82.499","0.001","66.906","0.001","72.489","0.001","1529.35","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H104 Li6 N6 O6 -","- C54 H104 Li6 N6 O6 -","- C54 H104 Li6 N6 O6 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0632","0.0502","","","0.1308","0.14","","","","","","1.035","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545980","7.9156","0.0003","13.4775","0.0005","13.8111","0.0006","110.986","0.002","94.546","0.002","104.331","0.002","1309.7","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Cu0.21 Li5.79 N6 O4 -","- C46 H88 Cu0.2082 Li5.7918 N6 O4 -","- C46 H88 Cu0.2082 Li5.7918 N6 O4 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0683","0.0515","","","0.1282","0.1388","","","","","","1.026","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545981","11.9447","0.0008","13.7635","0.0009","16.4214","0.0011","80.989","0.003","78.164","0.003","67.824","0.003","2437.5","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H88 Cu Li4 N9 O -","- C37 H88 Cu Li4 N9 O -","- C74 H176 Cu2 Li8 N18 O2 -","2","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0721","0.0572","","","0.173","0.1881","","","","","","1.048","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545982","8.4118","0.0004","11.5807","0.0005","13.5645","0.0006","98.376","0.002","95.058","0.002","94.955","0.002","1295.58","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Cu2 Li4 N6 O4 -","- C46 H88 Cu2 Li4 N6 O4 -","- C46 H88 Cu2 Li4 N6 O4 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0386","0.0351","","","0.0965","0.1026","","","","","","1.082","","","","has coordinates","196206","2020-10-21","18:00:00",""
"1545983","17.7718","0.0004","12.1985","0.0003","17.2945","0.0005","90","","118.237","0.001","90","","3303.09","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br Li3 N6 -","- C24 H60 Br Li3 N6 -","- C96 H240 Br4 Li12 N24 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.071","0.0414","","","0.0794","0.0901","","","","","","1.023","","","","has coordinates","196206","2020-10-21","18:00:00",""
"1545984","17.7591","0.0008","12.2389","0.0006","17.2889","0.0008","90","","118.227","0.002","90","","3310.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br Cu0.09 Li2.91 N6 -","- C24 H60 Br Cu0.094 Li2.906 N6 -","- C96 H240 Br4 Cu0.376 Li11.624 N24 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.1287","0.0825","","","0.1401","0.1524","","","","","","1.117","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545985","16.7641","0.0007","11.6113","0.0004","14.8749","0.0007","90","","112.159","0.005","90","","2681.6","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C96 H112 N16 O24 -","4","1","","Nikolayevskiy, Herman; Tun, Kyaw Moe; Rablen, Paul R.; Ben Mamoun, Choukri; Herzon, Seth","A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A1. Evidence for a structural revision.","Chem. Sci.","2017","","","","","10.1039/C7SC01127J","","","1.54184","CuKα","","0.095","0.0604","","","0.1491","0.1691","","","","","","1.02","","","","has coordinates","196207","2020-10-21","18:00:00",""
"1545986","13.3652","0.0004","18.9012","0.0007","14.5561","0.0005","90","","104.314","0.004","90","","3563","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N4 O6 Pd2 S2 -","- C30 H44 N4 O6 Pd2 S2 -","- C120 H176 N16 O24 Pd8 S8 -","4","1","","St John-Campbell, Sahra; White, Andrew J. P.; Bull, James A.","Single Operation Palladium Catalysed C(sp3)‒H Functionalisation of Tertiary Aldehydes: Investigations into Transient Imine Directing Groups","Chem. Sci.","2017","","","","","10.1039/C7SC01218G","","","0.71073","MoKα","","0.0511","0.0345","","","0.0659","0.0736","","","","","","1.055","","","","has coordinates","196208","2020-10-21","18:00:00",""
"1545987","25.037","0.009","9.586","0.001","24.537","0.006","90","0.01","120.09","0.02","90","0.02","5095","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H39 Br4 N7 Zn -","- C59 H39 Br4 N7 Zn -","- C236 H156 Br16 N28 Zn4 -","4","0.5","","Bertini, Federica; Glatz, Mathias; Gorgas, Nikolaus; Stoeger, Berthold; Peruzzini, Maurizio; Veiros, Luis Filipe F.; Kirchner, Karl; Gonsalvi, Luca","Carbon Dioxide Hydrogenation Catalysed by Well-defined Mn(I) PNP Pincer Hydride Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC00209B","","","0.7107","MoKα","","0.175","0.092","","0.2424","0.1958","","","","0.953","1.151","1.151","","","","","has coordinates","196209","2020-10-21","18:00:00",""
"1545989","12.9848","0.001","19.382","0.0015","22.2953","0.0017","90","","99.8421","0.001","90","","5528.5","0.7","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H76 N2 O12 -","- C61 H76 N2 O12 -","- C244 H304 N8 O48 -","4","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.089","0.0561","","","0.131","0.149","","","","","","1.024","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1545990","17.819","0.003","17.457","0.003","34.337","0.005","90","","90","","90","","10681","3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C61 H71 N3 O10 -","- C61 H71 N3 O10 -","- C488 H568 N24 O80 -","8","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.1513","0.1148","","","0.2232","0.2406","","","","","","1.166","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1545997","8.76","0.003","13.957","0.005","16.322","0.005","90","","90","","90","","1995.6","1.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.0889","0.0795","","","0.24","0.2659","","","","","","1.087","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1545998","13.869","0.009","9.736","0.008","14.969","0.011","90","","105.103","0.018","90","","1951","3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","liux-1","","- C40 H36 N3 O14 -","- C40 H36 N3 O14 -","- C80 H72 N6 O28 -","2","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.1221","0.0992","","","0.2557","0.3148","","","","","","1.023","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1546041","11.6963","0.0015","7.8375","0.001","18.213","0.002","90","","96.443","0.002","90","","1659","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C72 H72 Cl4 N12 O4 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0693","0.0464","","","0.0871","0.0972","","","","","","1.014","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546042","11.1006","0.0017","6.9951","0.001","30.827","0.005","90","","94.93","0.003","90","","2384.9","0.6","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 B2 Br O4 -","- C22 H31 B2 Br O4 -","- C88 H124 B8 Br4 O16 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0995","0.0494","","","0.0935","0.1093","","","","","","0.944","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546043","24.72245","0.00042","5.994222","0.00009","14.31013","0.00041","90","","90","","90","","2120.64","0.08","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","7.83","2.054","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546044","16.78223","0.00033","5.92141","0.00013","13.85224","0.00055","90","","90","","90","","1376.56","0.07","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","3.76","1.354","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546045","17.06176","0.00086","6.03613","0.00038","13.9083","0.0016","90","","90","","90","","1432.4","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","2.19","2.26","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546046","24.27024","0.00027","5.92062","0.000065","14.18934","0.00027","90","","90","","90","","2038.94","0.05","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","4.05","1.387","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546047","4.86771","0.00038","6.88178","0.00058","20.8508","0.0011","90","","90","","90","","698.47","0.09","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","4.31","1.765","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546048","3.97954","0.00016","15.2907","0.0003","5.8583","0.0002","90","","94.237","0.005","90","","355.5","0.02","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.410639","","","","","","","","","","11.96","1.49","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546080","12.8153","0.0016","12.8153","0.0016","38.817","0.005","90","","90","","120","","5520.9","1.2","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C168 H144 Br18 Fe6 N24 O48 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0409","0.0379","","","0.1091","0.1104","","","","","","1.04","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546081","13.2429","0.001","13.2429","0.001","38.38","0.003","90","","90","","120","","5829.1","0.8","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C168 H144 Br18 Cr6 N18 O42 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0605","0.0512","","","0.1432","0.1521","","","","","","0.971","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546082","12.7708","0.0005","12.7708","0.0005","39.0709","0.0012","90","","90","","120","","5518.5","0.3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C162 H144 Cl18 Co9 Fe6 N18 O36 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0887","0.0732","","","0.2109","0.2322","","","","","","1.02","","","","has coordinates","196811","2020-10-21","18:00:00",""
"1546083","18.4407","0.0009","22.0037","0.0009","27.1925","0.001","104.146","0.003","109.298","0.004","95.522","0.004","9907.3","0.8","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C158 H194 Cr2 F18 N6 O47 P6 Pd3 S6 -","- C137 H126 Cr2 F6 N6 O18 P6 Pd3 S2 -","- C274 H252 Cr4 F12 N12 O36 P12 Pd6 S4 -","2","1","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","x-ray","1.54184","CuKα","","0.105","0.0806","","","0.2197","0.2423","","","","","","1.037","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546090","25.0308","0.001","15.3288","0.0006","19.941","0.0008","90","","93.983","0.001","90","","7632.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C130 H56 N4 Ni S0 U -","- C130 H56 N4 Ni U0.9994 -","- C520 H224 N16 Ni4 U3.9976 -","4","0.5","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.0977","0.0779","","","0.2194","0.229","","","","","","1.691","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546091","25.102","0.003","14.9208","0.0019","38.636","0.005","90","","94.044","0.002","90","","14435","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H56 N4 Ni U -","- C122 H56 N4 Ni U0.9994 -","- C976 H448 N32 Ni8 U7.9952 -","8","1","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.1705","0.1247","","","0.3214","0.3355","","","","","","1.813","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546092","17.7846","0.0005","17.2807","0.0005","26.6533","0.0007","90","","107.376","0.001","90","","7817.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H53 N4 Ni S2 U -","- C128 H53 N4 Ni S2 U0.9999 -","- C512 H212 N16 Ni4 S8 U3.9996 -","4","1","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.1324","0.0987","","","0.2627","0.2849","","","","","","1.737","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546108","10.294","0.002","10.7033","0.0019","12.376","0.002","69.312","0.006","79.586","0.008","66.46","0.006","1168.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.126","0.0641","","","0.1185","0.1408","","","","","","1.054","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546109","13.9065","0.0011","13.9065","0.0011","6.0548","0.0005","90","","90","","120","","1014.07","0.14","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C48 H45 N3 O9 -","3","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.0351","0.0295","","","0.0778","0.102","","","","","","1.205","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546110","16.42","0.002","5.9044","0.0008","25.212","0.003","90","","90.487","0.004","90","","2444.2","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","2","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2885","0.2542","","","0.5938","0.6117","","","","","","2.629","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546111","8.48","0.007","5.698","0.004","15.656","0.013","90","","93.2","0.05","90","","755.3","1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2549","0.1803","","","0.4062","0.4474","","","","","","1.213","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546117","12.5744","0.0005","15.5222","0.0007","19.5052","0.0008","88.259","0.001","81.988","0.001","89.388","0.002","3768.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H53 B10 O2 P3 Ru -","- C32 H53 B10 O2 P3 Ru -","- C128 H212 B40 O8 P12 Ru4 -","4","2","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface","Chem. Sci.","2017","","","","","10.1039/C7SC01846K","","x-ray","0.71073","MoKα","","0.0663","0.0372","","","0.0707","0.0782","","","","","","1.045","","","","has coordinates","196984","2020-10-21","18:00:00",""
"1546118","12.4465","0.0004","23.0308","0.0008","13.2665","0.0004","90","","96.239","0.001","90","","3780.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B10 Cl O2 P3 Ru -","- C32 H52 B10 Cl O2 P3 Ru -","- C128 H208 B40 Cl4 O8 P12 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface","Chem. Sci.","2017","","","","","10.1039/C7SC01846K","","x-ray","0.71073","MoKα","","0.0373","0.0248","","","0.0568","0.0603","","","","","","1.033","","","","has coordinates","196984","2020-10-21","18:00:00",""
"1546125","24.0022","0.0018","8.6136","0.0006","25.556","0.003","90","","116.047","0.003","90","","4747","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl5 Mg N3 O -","- C21 H22 Cl5 Mg N3 O -","- C168 H176 Cl40 Mg8 N24 O8 -","8","1","","Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe","Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC01514C","","","0.71073","MoKα","","0.0516","0.0391","","","0.0912","0.0972","","","","","","1.016","","","","has coordinates","197008","2020-10-21","18:00:00",""
"1546126","27.298","0.0018","14.9001","0.0012","16.8775","0.001","90","","124.63","0.002","90","","5648.6","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 Cl12 Mg2 N6 O2 -","- C47 H54 Cl12 Mg2 N6 O2 -","- C188 H216 Cl48 Mg8 N24 O8 -","4","0.5","","Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe","Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC01514C","","","0.71073","MoKα","","0.0702","0.0567","","","0.1488","0.1604","","","","","","1.004","","","","has coordinates","197008","2020-10-21","18:00:00",""
"1546128","34.9084","0.0006","14.9228","0.0002","29.6669","0.0005","90","","101.028","0.002","90","","15169","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C468.24 H417 I48 N100.44 O40.2 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","0.71075","MoKα","","0.0943","0.0604","","","0.1693","0.192","","","","","","1.012","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546129","36.0217","0.0006","14.6919","0.0002","30.6728","0.0007","90","","101.672","0.002","90","","15897.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H138.74 I12 N24 O9.74 Zn6 -","- C132.786 H138.772 I12 N24 O9.74 Zn6 -","- C531.144 H555.088 I48 N96 O38.96 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0749","0.0709","","","0.1984","0.205","","","","","","1.027","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546130","33.9973","0.001","14.9225","0.0003","31.1158","0.0008","90","","101.047","0.003","90","","15493.3","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C100.85 H95.62 Cl11.35 I12.03 N24.48 O2.88 S0.48 Zn6 -","- C100.844 H95.629 Cl11.348 I12.0308 N24.479 O2.874 S0.479 Zn5.999 -","- C403.376 H382.516 Cl45.392 I48.1232 N97.916 O11.496 S1.916 Zn23.996 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54184","CuKα","","0.1099","0.0818","","","0.2226","0.256","","","","","","1.037","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546131","34.869","0.0006","14.9135","0.0001","31.5649","0.0005","90","","102.275","0.002","90","","16039.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C122.98 H117.96 I12 N28 Zn6 -","- C122.98 H117.96 I12 N28 Zn6 -","- C491.92 H471.84 I48 N112 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0768","0.0689","","","0.1946","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546132","36.1897","0.0008","14.6874","0.0002","34.7427","0.0008","90","","109.742","0.002","90","","17381.5","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C136.11 H131.89 I12 N27.41 Zn6 -","- C136.11 H131.89 I12 N27.41 Zn6 -","- C544.44 H527.56 I48 N109.64 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0865","0.0742","","","0.2049","0.2219","","","","","","1.047","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546133","12.0727","0.0015","12.564","0.0016","26.304","0.003","90","","90","","90","","3989.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 B10 N2 -","- C18 H22 B10 N2 -","- C144 H176 B80 N16 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0627","0.0513","","","0.1373","0.1484","","","","","","1.041","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546134","41.094","0.003","11.9824","0.0008","19.1819","0.0012","90","","108.189","0.001","90","","8973.3","1.1","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B10 Cl2 F10 Ir N4 P -","- C38 H38 B10 Cl2 F10 Ir N4 P -","- C304 H304 B80 Cl16 F80 Ir8 N32 P8 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0772","0.0575","","","0.1471","0.1622","","","","","","1.077","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546135","30.853","0.015","6.836","0.003","12.622","0.006","90","","106.229","0.009","90","","2556","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 B20 N2 -","- C14 H28 B20 N2 -","- C56 H112 B80 N8 -","4","0.5","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.1757","0.1072","","","0.2855","0.3291","","","","","","1.033","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546136","10.4515","0.0004","13.4143","0.0006","18.7342","0.0008","96.628","0.002","97.799","0.001","105.863","0.001","2470.87","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H34 B10 Cl0 F10 Ir N4 P -","- C40 H34 B10 F10 Ir N4 P -","- C80 H68 B20 F20 Ir2 N8 P2 -","2","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.04","0.0299","","","0.0651","0.0677","","","","","","1.026","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546137","10.3413","0.0005","19.9619","0.0009","23.794","0.0011","90","","94.892","0.001","90","","4894","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 B10 Cl4 F10 Ir N4 P -","- C40.001 H42.002 B10 Cl4.002 F10 Ir N4 P -","- C160.004 H168.008 B40 Cl16.008 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0788","0.0419","","","0.0776","0.0877","","","","","","1.02","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546138","9.6791","0.0014","12.7772","0.0018","28.988","0.004","90","","90","","90","","3585","0.9","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C140 H108 Cl8 F40 Ir4 N16 O2 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.025","0.024","","","0.0662","0.0706","","","","","","1.033","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546139","19.439","0.004","11.727","0.003","19.346","0.004","90","","100.293","0.004","90","","4339.2","1.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 B10 F10 Ir N4 O0 P -","- C34 H29 B10 F10 Ir N4 P -","- C136 H116 B40 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0432","0.0323","","","0.0893","0.0935","","","","","","1.054","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546140","17.3958","0.0014","12.1322","0.001","24.263","0.002","90","","106.755","0.001","90","","4903.3","0.7","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C36 H34 B10 Cl2 F10 Ir N4 P -","- C36 H34 B10 Cl2 F10 Ir N4 P -","- C144 H136 B40 Cl8 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0437","0.0348","","","0.0957","0.0999","","","","","","1.057","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546141","19.3966","0.0013","11.8557","0.0008","19.0311","0.0013","90","","99.693","0.001","90","","4313.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 B10 F10 Ir N4 P -","- C35 H32 B10 F10 Ir N4 P -","- C140 H128 B40 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0332","0.0312","","","0.0821","0.084","","","","","","1.091","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546168","8.4306","0.0004","11.7839","0.0006","12.6627","0.0006","96.816","0.004","105.872","0.005","103.544","0.005","1153.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 F2 N2 O2 -","- C26 H30 F2 N2 O2 -","- C52 H60 F4 N4 O4 -","2","1","","Maity, Soham; Dolui, Pravas; Kancherla, Rajesh; Maiti, Debabrata","Introducing unactivated acyclic internal aliphatic olefins into a cobalt catalyzed allylic selective dehydrogenative Heck reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01204G","","x-ray","0.71073","MoKα","","0.1155","0.077","","","0.2086","0.2623","","","","","","1.108","","","","has coordinates","197117","2020-10-21","18:00:00",""
"1546169","18.6834","0.0011","9.2143","0.0005","15.3519","0.0008","90","","108.428","0.002","90","","2507.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Al Si3 Ti -","- C20 H40 Al Si3 Ti -","- C80 H160 Al4 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0493","0.0418","","","0.1052","0.1113","","","","","","1.101","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546170","12.149","0.0006","16.6519","0.0009","18.1791","0.0009","105.807","0.003","102.06","0.002","91.054","0.003","3449.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ACB_1_140","","","- C30 H47 Al F4 Si3 Ti2 -","- C30 H47 Al F4 Si3 Ti2 -","- C120 H188 Al4 F16 Si12 Ti8 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.1002","0.0578","","","0.1261","0.1429","","","","","","1.042","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546171","13.804","0.0005","20.5426","0.001","18.7994","0.0009","90","","105.291","0.002","90","","5142.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acb_1_097","","","- C21.5 H41.5 Al Si3 Ti -","- C21.5 H41.5 Al Si3 Ti -","- C172 H332 Al8 Si24 Ti8 -","8","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0505","0.0384","","","0.0896","0.0955","","","","","","1.066","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546172","13.5985","0.0005","13.6009","0.0005","16.6858","0.0007","106.549","0.0016","107.02","0.0015","98.4556","0.0015","2737.85","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H46 Al K O2 Si3 -","- C18 H46 Al K O2 Si3 -","- C72 H184 Al4 K4 O8 Si12 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0887","0.043","","","0.1158","0.1343","","","","","","1.04","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546173","17.5367","0.0005","11.3812","0.0003","18.6758","0.0005","90","","115.366","0.001","90","","3368.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acb_1_088","","","- C30 H58 Al Si3 Ti -","- C30 H58 Al Si3 Ti -","- C120 H232 Al4 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.054","0.0477","","","0.1232","0.1287","","","","","","1.066","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546174","13.9593","0.0011","26.812","0.002","9.5669","0.0006","90","","90.391","0.004","90","","3580.6","0.4","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Al Si3 Ti2 -","- C30 H47 Al Si3 Ti2 -","- C120 H188 Al4 Si12 Ti8 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0745","0.0484","","","0.1128","0.1201","","","","","","0.945","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546175","11.8167","0.0011","16.7464","0.0016","18.0477","0.0018","105.953","0.004","103.15","0.004","90.965","0.004","3331.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H51 Al Si3 Ti2 -","- C30 H51 Al Si3 Ti2 -","- C120 H204 Al4 Si12 Ti8 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.1062","0.0933","","","0.2365","0.247","","","","","","1.052","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546176","15.9334","0.0005","8.8807","0.0002","41.2358","0.0012","90","","92.756","0.002","90","","5828.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(Cp)2Ti(u-H)(u-OTf)Al(H)C(TMS)3","","","- C21 H39 Al F3 O3 S Si3 Ti -","- C21 H39 Al F3 O3 S Si3 Ti -","- C168 H312 Al8 F24 O24 S8 Si24 Ti8 -","8","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0785","0.0532","","","0.1174","0.1285","","","","","","1.038","","","","has coordinates,has disorder","197118","2020-10-21","18:00:00",""
"1546177","12.528","0.007","18.992","0.01","15.352","0.008","90","","90","","90","","3653","3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H56 Al N2 O3 Si3 Ti -","- C30 H56 Al N2 O3 Si3 Ti -","- C120 H224 Al4 N8 O12 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.7749","synchrotron","","0.0325","0.0278","","","0.063","0.065","","","","","","1.037","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546178","11.686","0.008","15.497","0.01","18.639","0.012","90","","107.884","0.005","90","","3212","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H54 Al N2 Si3 Ti -","- C27 H54 Al N2 Si3 Ti -","- C108 H216 Al4 N8 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.7749","synchrotron","","0.0386","0.0306","","","0.0735","0.0768","","","","","","1.041","","","","has coordinates,has disorder","197118","2020-10-21","18:00:00",""
"1546179","7.1689","0.0013","9.283","0.0015","11.8655","0.0016","95.669","0.01","91.769","0.011","107.117","0.013","749.5","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","1,2(bis-4-pyridyl)ethane fluorohydroquinone co-crystal","","- C18 H17 F N2 O2 -","- C18 H17 F N2 O2 -","- C36 H34 F2 N4 O4 -","2","1","","Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee","Hydrogen bonding vs. halogen bonding: the solvent decides","Chem. Sci.","2017","","","","","10.1039/C7SC01801K","","","1.54178","CuKα","","0.1014","0.0701","","","0.1822","0.2093","","","","","","1.019","","","","has coordinates,has disorder","197134","2020-10-21","18:00:00",""
"1546180","6.1939","0.0004","7.4692","0.0005","9.0672","0.0006","86.863","0.005","75.722","0.005","71.755","0.004","385.97","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","1,2-Bis(4-pyridyl)ethane tetrafluorohydroquinone co-crystal","","- C18 H14 F4 N2 O2 -","- C18 H14 F4 N2 O2 -","- C18 H14 F4 N2 O2 -","1","0.5","","Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee","Hydrogen bonding vs. halogen bonding: the solvent decides","Chem. Sci.","2017","","","","","10.1039/C7SC01801K","","","0.71073","MoKα","","0.0573","0.0388","","","0.0851","0.0955","","","","","","1.022","","","","has coordinates","197134","2020-10-21","18:00:00",""
"1546181","13.6329","0.0004","14.5215","0.0004","63.8849","0.0018","90","","91.6616","0.0012","90","","12642","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 B N9 O4.28 S Zn -","- C65 H74 B N9 O4.2765 S Zn -","- C520 H592 B8 N72 O34.212 S8 Zn8 -","8","2","","Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz","Heterospin biradicals provide insight into molecular conductance and rectification","Chem. Sci.","2017","","","","","10.1039/C7SC00073A","","","1.54178","CuKα","","0.1018","0.0901","","","0.2021","0.2082","","","","","","1.131","","","","has coordinates,has disorder","197135","2020-10-21","18:00:00",""
"1546182","22.0024","0.0013","16.5492","0.0012","21.1852","0.0008","90","","112.792","0.002","90","","7111.7","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","TP-DCM","","","- C65 H74 B N9 O4 S Zn -","- C65 H74 B N9 O4 S Zn -","- C260 H296 B4 N36 O16 S4 Zn4 -","4","1","","Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz","Heterospin biradicals provide insight into molecular conductance and rectification","Chem. Sci.","2017","","","","","10.1039/C7SC00073A","","","0.71073","MoKα","","0.0673","0.0528","","","0.1472","0.1604","","","","","","1.059","","","","has coordinates","197135","2020-10-21","18:00:00",""
"1546246","92.6284","0.0008","24.32104","0.00017","13.71515","0.00011","90","","90","","90","","30897.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C123 H254 K2 N2 O32 Si8 U2 -","- C123 H254 K2 N2 O32 Si8 U2 -","- C984 H2032 K16 N16 O256 Si64 U16 -","8","0.5","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0255","0.0252","","","0.0639","0.0642","","","","","","1.034","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546247","25.92909","0.00016","26.18261","0.00018","26.16679","0.00016","90","","90","","90","","17764.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H144 K N2 O22 Si4 U -","- C66 H144 K N2 O22 Si4 U -","- C528 H1152 K8 N16 O176 Si32 U8 -","8","2","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0312","0.0301","","","0.0677","0.0683","","","","","","1.096","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546248","14.4445","0.0004","14.4565","0.0006","47.0418","0.0018","82.352","0.003","84.245","0.003","78.583","0.003","9515.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C73 H152 K N2 O22 S Si4 U -","- C73 H152 K N2 O22 S Si4 U -","- C292 H608 K4 N8 O88 S4 Si16 U4 -","4","2","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0931","0.0906","","","0.2307","0.232","","","","","","1.093","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546249","19.133","0.002","9.457","0.0007","22.775","0.002","90","","111.465","0.012","90","","3835.1","0.7","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 K2 O12 S6 -","- C26 H48 K2 O12 S6 -","- C104 H192 K8 O48 S24 -","4","1","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.1504","0.0829","","","0.209","0.2432","","","","","","0.907","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546250","13.827","0.0003","24.6484","0.0005","14.3945","0.0004","90","","99.042","0.003","90","","4844.9","0.2","140","2","140","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H152 K N2 O22 S3 Si4 U -","- C74 H152 K N2 O22 S3 Si4 U -","- C148 H304 K2 N4 O44 S6 Si8 U2 -","2","1","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0722","0.0627","","","0.1516","0.1607","","","","","","1.052","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546251","11.49295","0.00019","22.2749","0.0004","14.299","0.0002","90","","91.1028","0.0014","90","","3659.93","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 Cl6 F2 N P Pt -","- C39 H30 Cl6 F2 N P Pt -","- C156 H120 Cl24 F8 N4 P4 Pt4 -","4","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0352","0.0255","","","0.049","0.0519","","","","","","1.049","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546252","12.1213","0.0008","12.1909","0.0007","12.2729","0.0008","68.816","0.006","69.917","0.006","64.636","0.006","1489.24","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 F2 N P Pt -","- C38 H30 F2 N P Pt -","- C76 H60 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0762","0.0772","","","","","","1.032","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546253","11.3911","0.0003","11.7933","0.0004","12.863","0.0003","100.845","0.002","97.595","0.002","117.163","0.003","1462.19","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29 Cl F2 N P Pt -","- C38 H29 Cl F2 N P Pt -","- C76 H58 Cl2 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.0301","0.0257","","","0.06","0.0619","","","","","","1.019","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546254","23.6952","0.0004","14.2502","0.0003","27.6824","0.0005","90","","103.199","0.0019","90","","9100.3","0.3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 Cl10 F2 N O P Pt -","- C42 H34 Cl10 F2 N O P Pt -","- C336 H272 Cl80 F16 N8 O8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0513","0.0404","","","0.0951","0.1033","","","","","","1.039","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546255","14.61871","0.00018","17.9381","0.0003","28.6293","0.0004","90","","98.6391","0.0012","90","","7422.34","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C323.2 H265.6 Cl33.6 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0646","0.0393","","","0.087","0.0958","","","","","","1.041","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546256","10.06885","0.00009","10.97968","0.00011","17.46056","0.00018","107.638","0.0009","97.2289","0.0009","105.26","0.0008","1729.77","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl4 F2 N P Pt -","- C39 H30 Cl4 F2 N P Pt -","- C78 H60 Cl8 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.02","0.0198","","","0.0488","0.0489","","","","","","1.041","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546257","8.51403","0.00011","10.31938","0.00018","18.7511","0.0003","83.1662","0.0013","79.6553","0.0012","76.3618","0.0013","1569.92","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 Cl F2 N P Pt -","- C38 H31 Cl F2 N P Pt -","- C76 H62 Cl2 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.025","0.021","","","0.0422","0.0435","","","","","","1.017","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546275","9.0291","0.0001","35.3591","0.0005","14.1581","0.0002","90","","97.671","0.0009","90","","4479.68","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","BDT2PT","","- C44 H51 B Br2 N6 O2 S4 -","- C44 H51 B Br2 N6 O2 S4 -","- C176 H204 B4 Br8 N24 O8 S16 -","4","1","","Yin, Xiaodong; Liu, Kanglei; Ren, Yi; Lalancette, Roger A.; Loo, Yueh-Lin; Jäkle, Frieder","Pyridalthiadiazole acceptor-functionalized triarylboranes with multi-responsive optoelectronic characteristics","Chem. Sci.","2017","","","","","10.1039/C6SC03097A","","","1.54178","CuKα","","0.0567","0.0514","","","0.1351","0.1391","","","","","","1.051","","","","has coordinates,has disorder","197636","2020-10-21","18:00:00",""
"1546282","11.1514","0.0003","11.5496","0.0003","14.0875","0.0004","75.291","0.001","76.244","0.001","74.695","0.001","1664.09","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 B F2 N3 O4 -","- C37 H34 B F2 N3 O4 -","- C74 H68 B2 F4 N6 O8 -","2","1","","Cherumukkil, Sandeep; Ghosh, Samrat; Vakayil Karthikeyan, Praveen; Ajayaghosh, Ayyappanpillai","An Unprecedented Amplification of Near-Infrared Emission in a Bodipy Derived π-System by Stress or Gelation","Chem. Sci.","2017","","","","","10.1039/C7SC01696D","","","0.71073","MoKα","","0.0666","0.0443","","","0.126","0.1528","","","","","","1.079","","","","has coordinates","197671","2020-10-21","18:00:00",""
"1546286","26.256","0.005","21.16","0.004","10.086","0.002","90","","90","","90","","5603.5","1.9","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C45 H42 Ag4 F9 I N14 O10 S3 -","- C45 H42 Ag4.001 F9 I N14 O10 S3 -","- C180 H168 Ag16.004 F36 I4 N56 O40 S12 -","4","0.5","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.1011","0.0835","","","0.1377","0.1439","","","","","","1.209","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546287","24.864","0.005","10.112","0.002","24.94","0.005","90","","114.19","0.03","90","","5720","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Ag4 Cl F9 N14 O10 S3 -","- C46 H46 Ag4 Cl F9 N14 O10 S3 -","- C184 H184 Ag16 Cl4 F36 N56 O40 S12 -","4","1","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.1138","0.0962","","","0.1793","0.1894","","","","","","1.225","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546288","10.277","0.002","17.015","0.003","19.143","0.004","91.21","0.03","102.96","0.03","90.15","0.03","3261.3","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H52 Ag5 Br F12 N14 O17 S4 -","- C46 H52 Ag5 Br F12 N14 O17 S4 -","- C92 H104 Ag10 Br2 F24 N28 O34 S8 -","2","1","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.0492","0.0442","","","0.1045","0.1083","","","","","","1.068","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546289","8.2828","0.0004","8.9132","0.0004","9.1524","0.0004","88.129","0.002","79.474","0.002","86.662","0.002","663.02","0.05","100","2","100","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H44 -","- C36 H44 -","- C36 H44 -","1","0.5","","Hein, Samuel J.; Lehnherr, Dan; Dichtel, William","Rapid Access to Substituted 2-Naphthyne Intermediates via the Benzannulation of Halogenated Silylacetylenes","Chem. Sci.","2017","","","","","10.1039/C7SC01625E","","","0.71073","MoKα","","0.0495","0.0481","","","0.1353","0.1367","","","","","","1.075","","","","has coordinates","197728","2020-10-21","18:00:00",""
"1546290","7.1961","0.0004","7.4763","0.0004","26.1123","0.0014","90","","95.1754","0.0014","90","","1399.12","0.13","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Br2 Si -","- C13 H14 Br2 Si -","- C52 H56 Br8 Si4 -","4","1","","Hein, Samuel J.; Lehnherr, Dan; Dichtel, William","Rapid Access to Substituted 2-Naphthyne Intermediates via the Benzannulation of Halogenated Silylacetylenes","Chem. Sci.","2017","","","","","10.1039/C7SC01625E","","","0.71073","MoKα","","0.0256","0.0193","","","0.0416","0.0431","","","","","","1.036","","","","has coordinates","197728","2020-10-21","18:00:00",""
"1546294","14.0045","0.0003","12.0323","0.0002","17.8455","0.0004","90","","100.017","0.002","90","","2961.24","0.11","180.1","0.14","180.1","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Br N O5 S -","- C29 H40 Br N O5 S -","- C116 H160 Br4 N4 O20 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0797","0.0806","","","","","","1.06","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546295","8.58394","0.00013","10.36548","0.00013","19.8233","0.0003","96.6637","0.0011","102.379","0.0013","102.18","0.0012","1659.82","0.04","210","0.14","210","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O7 S -","- C32 H42 N2 O7 S -","- C64 H84 N4 O14 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","","1.54184","CuKα","","0.0412","0.0362","","","0.0994","0.1054","","","","","","1.018","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546296","8.3686","0.0004","10.3246","0.0004","12.66","0.0005","70.135","0.003","77.897","0.003","68.067","0.004","950","0.08","180.1","0.9","180.1","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C40 H50 N2 O6 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.051","0.0486","","","0.141","0.1437","","","","","","1.039","","","","has coordinates,has disorder","197752","2020-10-21","18:00:00",""
"1546297","17.4991","0.0002","5.6744","0.00006","20.5923","0.0003","90","","107.156","0.0013","90","","1953.77","0.04","181","2","181","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N O4 S -","- C19 H29 N O4 S -","- C76 H116 N4 O16 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1005","0.105","","","","","","1.051","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546298","9.20537","0.00016","23.7526","0.0005","14.5525","0.0003","90","","92.7036","0.0016","90","","3178.38","0.11","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O7 S -","- C32 H42 N2 O7 S -","- C128 H168 N8 O28 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0507","0.0481","","","0.1176","0.1196","","","","","","1.024","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546299","11.0583","0.0003","12.1489","0.0003","13.6776","0.0003","90","","98.545","0.002","90","","1817.14","0.08","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0431","0.0409","","","0.1118","0.1141","","","","","","1.04","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546300","10.6084","0.0006","10.72","0.0005","10.8762","0.0007","117.6","0.006","110.658","0.005","94.009","0.004","984.19","0.13","179","2","179","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0485","0.0413","","","0.1124","0.1187","","","","","","1.039","","","","has coordinates,has disorder","197752","2020-10-21","18:00:00",""
"1546301","6.1914","0.0002","19.1212","0.0005","33.9479","0.001","90","","90","","90","","4019","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0381","0.0316","","","0.0682","0.0709","","","","","","1.035","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546302","11.0876","0.0005","13.0214","0.0006","28.1322","0.0014","90","","90","","90","","4061.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0273","0.0264","","","0.0641","0.0646","","","","","","1.109","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546330","23.536","0.012","42.75","0.02","5.126","0.003","90","","90","","90","","5158","5","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H10 N2 O3 -","- C16 H10 N2 O3 -","- C256 H160 N32 O48 -","16","1","","Tripathi, Chandra Bhushan; Ohtani, Tsuyoshi; Corbett, Michael T.; Ooi, Takashi","Photoredox ketone catalysis for the direct C‒H imidation and acyloxylation of arenes","Chem. Sci.","2017","","","","","10.1039/C7SC01700F","","","0.71075","MoKα","","0.0438","0.0372","","","0.0805","0.0816","","","","","","0.889","","","","has coordinates","197868","2020-10-21","18:00:00",""
"1546333","12.609","0.003","12.998","0.003","18.154","0.004","81.932","0.007","84.577","0.007","82.253","0.007","2910.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N4 O6 Pd2 -","- C26 H36 N4 O6 Pd2 -","- C104 H144 N16 O24 Pd8 -","4","2","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0887","0.051","","","0.0998","0.1112","","","","","","1.026","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546334","28.337","0.005","13.971","0.003","14.982","0.003","90","","102.276","0.005","90","","5796","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 F12 I12 N4 Pd2 -","- C38 H34 F12 I12 N4 Pd2 -","- C152 H136 F48 I48 N16 Pd8 -","4","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0406","0.0279","","","0.0562","0.0603","","","","","","1.069","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546335","7.8606","0.0004","15.71","0.0009","8.3499","0.0004","90","","108.607","0.0013","90","","977.23","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23.6 Cl2.4 N2 Pd2 -","- C18 H23.6 Cl2.4 N2 Pd2 -","- C36 H47.2 Cl4.8 N4 Pd4 -","2","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0529","0.0419","","","0.0876","0.0907","","","","","","1.29","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546336","10.3725","0.001","8.0905","0.0008","14.2505","0.0013","90","","90.468","0.002","90","","1195.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl8 N2 Pd -","- C18 H24 Cl8 N2 Pd -","- C36 H48 Cl16 N4 Pd2 -","2","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0677","0.0435","","","0.1038","0.1154","","","","","","1.096","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546337","9.2657","0.0011","29.63","0.004","19.311","0.003","90","","90","","90","","5301.7","1.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C43 H58 F6 N4 O6 Pd2 -","- C43 H58 F6 N4 O6 Pd2 -","- C172 H232 F24 N16 O24 Pd8 -","4","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0899","0.065","","","0.14","0.149","","","","","","1.05","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546338","19.2283","0.0014","17.6933","0.0014","18.9065","0.0015","90","","93.545","0.003","90","","6419.9","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 F6 N4 O6 Pd2 -","- C28 H34 F6 N4 O6 Pd2 -","- C224 H272 F48 N32 O48 Pd16 -","8","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0265","0.0213","","","0.0498","0.0522","","","","","","1.074","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546339","9.318","0.0004","9.8627","0.0004","40.0507","0.0019","90","","90","","90","","3680.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 N5 O6 Pd2 -","- C32 H41 F6 N5 O6 Pd2 -","- C128 H164 F24 N20 O24 Pd8 -","4","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0728","0.0435","","","0.0576","0.062","","","","","","1.046","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546340","19.2982","0.0005","16.418","0.0005","19.703","0.0006","90","","96.739","0.001","90","","6199.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 Cl N4 O6 Pd2 -","- C26 H35 Cl N4 O6 Pd2 -","- C208 H280 Cl8 N32 O48 Pd16 -","8","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","x-ray","0.41328","synchrotron","","0.0663","0.0402","","","0.0831","0.0921","","","","","","1.022","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546341","7.6908","0.0005","13.0776","0.0008","7.1107","0.0004","90","","90.8831","0.0014","90","","715.09","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0137","0.0115","","","0.0247","0.0253","","","","","","1.137","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1546346","11.0842","0.0013","11.0842","0.0013","18.299","0.003","90","","90","","90","","2248.2","0.5","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0625","0.0484","","","0.1315","0.1505","","","","","","1.145","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546347","10.96009","0.00019","10.96009","0.00019","18.3921","0.0006","90","","90","","90","","2209.32","0.09","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0631","0.0479","","","0.1116","0.1243","","","","","","1.1","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546348","11.148","0.002","11.148","0.002","19.893","0.004","90","","90","","90","","2472.3","0.8","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H52 Cl4 Fe4 N8 O8 -","- C40 H52 Cl4 Fe4 N8 O8 -","- C80 H104 Cl8 Fe8 N16 O16 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0357","0.0322","","","0.08","0.0819","","","","","","1.067","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546349","15.4001","0.0002","15.4001","0.0002","15.3253","0.0004","90","","90","","90","","3634.6","0.12","180.01","0.1","180.01","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C176 H32 F80 N16 Ni4 -","4","0.25","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","","0.71073","MoKα","","0.0432","0.0353","","","0.0874","0.0933","","","","","","1.098","","","","has coordinates","197954","2020-10-21","18:00:00",""
"1546350","15.3093","0.0002","15.3093","0.0002","15.8346","0.0004","90","","90","","90","","3711.23","0.12","180","0.2","180","0.2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C43 H3 F20 N4 Ni O2 -","- C43 H3 F20 N4 Ni O2 -","- C172 H12 F80 N16 Ni4 O8 -","4","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0374","0.0366","","","0.1056","0.1064","","","","","","1.048","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546351","20.0377","0.0005","20.0377","0.0005","24.6135","0.0009","90","","90","","120","","8558.5","0.4","179.9","0.4","179.9","0.4","","","","","","","","6","R -3","-R 3","148","","","","- C43 H5 F20 N4 Ni O2 -","- C43 H5 F20 N4 Ni O2 -","- C387 H45 F180 N36 Ni9 O18 -","9","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0756","0.0634","","","0.1342","0.1418","","","","","","1.161","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546357","37.565","0.003","20.3058","0.0016","22.5109","0.0018","90","","118.616","0.002","90","","15074","2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[K(Kryptofix-2,2,2)][mBDCA-5t-5H]","","- C66 H101 K N10 O12 -","- C66 H101 K N10 O12 -","- C528 H808 K8 N80 O96 -","8","1","","Zhang, Shiyu; Nava, Matthew Jordan; Chow, Gary; Lopez, Nazario; Wu, Gang; Britt, R. David; Nocera, Daniel G.; Cummins, Christopher","On the incompatibility of lithium-O2 battery technology with CO2","Chem. Sci.","2017","","","","","10.1039/C7SC01230F","","","0.71073","MoKα","","0.0924","0.0552","","","0.1441","0.1568","","","","","","1.103","","","","has coordinates","198020","2020-10-21","18:00:00",""
"1546384","12.9371","0.0009","7.5514","0.0005","14.3323","0.001","90","","93.205","0.003","90","","1397.98","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 B F3 K N3 O2 -","- C12 H8 B F3 K N3 O2 -","- C48 H32 B4 F12 K4 N12 O8 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0599","0.05","","","0.1167","0.126","","","","","","1.087","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546385","28.487","0.004","12.3676","0.0016","8.8225","0.0011","90","","94.05","0.005","90","","3100.5","0.7","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H16 B2 F8 K2 N6 O2 -","- C26 H16 B2 F8 K2 N6 O2 -","- C104 H64 B8 F32 K8 N24 O8 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0368","0.0301","","","0.0588","0.0611","","","","","","1.038","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546386","7.231","0.0018","10.113","0.003","10.502","0.003","98.148","0.009","105.678","0.009","106.755","0.008","687.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B2 F2 N8 -","- C24 H34 B2 F2 N8 -","- C24 H34 B2 F2 N8 -","1","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.077","0.0458","","","0.1081","0.126","","","","","","0.984","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546387","41.3012","0.0011","8.4531","0.0002","46.0735","0.0011","90","","113.787","0.001","90","","14718.9","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H52.17 B6 F4 K6 N20 O8.01 -","- C52 H52.178 B6 F4 K6 N20 O8.009 -","- C416 H417.424 B48 F32 K48 N160 O64.072 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0608","0.0457","","","0.125","0.1377","","","","","","1.052","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546388","25.5118","0.0015","25.5118","0.0015","12.1914","0.0008","90","","90","","90","","7934.8","0.8","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C14 H6 B2 F3 K2 N7 O -","- C14 H6 B2 F3 K2 N7 O -","- C224 H96 B32 F48 K32 N112 O16 -","16","","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0933","0.0734","","","0.1464","0.1519","","","","","","1.272","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546389","10.9629","0.0009","8.0873","0.0007","14.1771","0.001","90","","90","","90","","1256.95","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H3 B F4 K N3 O -","- C10 H3 B F4 K N3 O -","- C40 H12 B4 F16 K4 N12 O4 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0483","0.0362","","","0.0934","0.0984","","","","","","1.072","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546390","10.0487","0.0006","18.9832","0.0012","22.2949","0.0013","90","","90","","90","","4252.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 B2 F8 K2 N8 -","- C16 B2 F8 K2 N8 -","- C128 B16 F64 K16 N64 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0642","0.0575","","","0.147","0.1509","","","","","","1.134","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546391","9.0844","0.0006","9.8593","0.0006","12.0751","0.0008","91.429","0.002","109.254","0.002","90.945","0.002","1020.36","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 B2 F2 K2 N6 -","- C18 H8 B2 F2 K2 N6 -","- C36 H16 B4 F4 K4 N12 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0335","0.0272","","","0.0645","0.0677","","","","","","1.037","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546392","11.1415","0.0011","12.3048","0.0012","7.4382","0.0007","90","","99.762","0.003","90","","1004.97","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C36 H12 B4 F8 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0414","0.0317","","","0.078","0.0835","","","","","","1.055","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546393","9.8453","0.0007","10.0627","0.0007","13.4136","0.001","87.223","0.003","87.467","0.003","66.895","0.002","1220.4","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 B2 F8 K2 N8 -","- C20 B2 F8 K2 N8 -","- C40 B4 F16 K4 N16 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0676","0.04","","","0.0721","0.0802","","","","","","1.009","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546394","7.7462","0.0005","16.7938","0.001","10.8073","0.0007","90","","90","","90","","1405.9","0.15","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H13 B F3 N4 -","- C12 H12 B F3 N4 -","- C48 H48 B4 F12 N16 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0325","0.0287","","","0.0659","0.0686","","","","","","1.03","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546395","7.4212","0.0004","21.5366","0.0012","7.4276","0.0004","90","","118.496","0.002","90","","1043.31","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H2 B F3 K N3 -","- C9 H2 B F3 K N3 -","- C36 H8 B4 F12 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0313","0.0272","","","0.0638","0.0657","","","","","","1.087","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546396","11.3175","0.001","12.5441","0.0011","7.3312","0.0006","90","","100.954","0.004","90","","1021.83","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 B F K N3 -","- C9 H4 B F K N3 -","- C36 H16 B4 F4 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.051","0.0369","","","0.082","0.0876","","","","","","1.063","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546397","9.2925","0.0005","13.987","0.0007","19.7322","0.001","103.804","0.002","92.966","0.002","107.242","0.002","2357.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 F4 N8 -","- C28 H40 B2 F4 N8 -","- C84 H120 B6 F12 N24 -","3","1.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.1144","0.0624","","","0.1478","0.1745","","","","","","1.03","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546398","7.2218","0.0004","7.3375","0.0004","11.5902","0.0007","100.165","0.002","95.64","0.002","116.645","0.002","529.22","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C18 H6 B2 F4 K2 N6 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0415","0.0389","","","0.1042","0.1059","","","","","","1.078","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546399","7.3664","0.0011","21.174","0.003","7.39","0.0011","90","","117.188","0.004","90","","1025.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C36 H12 B4 F8 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0469","0.0336","","","0.0733","0.0784","","","","","","1.053","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546400","7.1368","0.0004","21.0081","0.0011","6.8083","0.0003","90","","90.83","0.002","90","","1020.67","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H2 B F3 K N3 -","- C9 H2 B F3 K N3 -","- C36 H8 B4 F12 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0353","0.0284","","","0.0616","0.0647","","","","","","1.051","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546401","12.5972","0.0007","32.4417","0.0017","16.9137","0.0009","90","","92.82","0.003","90","","6903.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 B4 F28 K4 N12 O4 -","- C56 H32 B4 F28 K4 N12 O4 -","- C224 H128 B16 F112 K16 N48 O16 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.1433","0.0552","","","0.0998","0.1311","","","","","","1.009","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546436","15.3867","0.0011","20.3731","0.0014","22.3197","0.0016","90","","90.744","0.004","90","","6996.1","0.9","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 Fe2 N4 -","- C80 H112 Fe2 N4 -","- C320 H448 Fe8 N16 -","4","1","","Horitani, Masaki; Grubel, Katarzyna; McWilliams, Sean F.; Stubbert, Bryan D.; Mercado, Brandon Q.; Yu, Ying; Gurubasavaraj, Prabhuodeyara M.; Lees, Nicholas S.; Holland, Patrick L.; Hoffman, Brian M.","ENDOR characterization of an iron‒alkene complex provides insight into a corresponding organometallic intermediate of nitrogenase","Chem. Sci.","2017","","","","","10.1039/C7SC01602F","","","0.71073","MoKα","","0.1351","0.0655","","","0.152","0.1946","","","","","","1.005","","","","has coordinates,has disorder","198296","2020-10-21","18:00:00",""
"1546437","25.34","0.005","14.77","0.003","20.55","0.004","90","","97.13","0.03","90","","7632","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12",";Dy2S@Cs(6)-C82/Ni(OEP)/2(C7H8);","","","- C132 H59 Dy2 N4 Ni S -","- C132 H59 Dy2.001 N4 Ni S -","- C528 H236 Dy8.004 N16 Ni4 S4 -","4","0.5","","Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.","Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism","Chem. Sci.","2017","","","","","10.1039/C7SC02395B","","","0.89429","synchrotron","","0.1679","0.1181","","","0.3275","0.3635","","","","","","1.449","","","","has coordinates,has disorder","198297","2020-10-21","18:00:00",""
"1546438","25.25","0.005","14.86","0.003","20.46","0.004","90","","97.74","0.03","90","","7607","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12",";Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8);","Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8)","","- C132 H60 Dy2 N4 Ni S -","- C132 H60 Dy2 N4 Ni S0.999 -","- C528 H240 Dy8 N16 Ni4 S3.996 -","4","0.5","","Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.","Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism","Chem. Sci.","2017","","","","","10.1039/C7SC02395B","","","0.89429","synchrotron","","0.234","0.163","","","0.4063","0.4406","","","","","","1.065","","","","has coordinates,has disorder","198297","2020-10-21","18:00:00",""
"1546441","11.8092","0.0004","22.5105","0.0007","8.1573","0.0003","90","","90","","90","","2168.46","0.13","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H32 N3 O6 P -","- C20 H32 N3 O6 P -","- C80 H128 N12 O24 P4 -","4","1","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0352","0.0339","","","0.0881","0.0891","","","","","","1.055","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546442","11.632","0.002","10.796","0.002","20.144","0.004","90","","92.25","0.03","90","","2527.7","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O4 P -","- C23 H35 N4 O4 P -","- C92 H140 N16 O16 P4 -","4","2","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0457","0.0411","","","0.1068","0.1101","","","","","","1.045","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546443","8.4435","0.0002","8.577","0.0002","12.2867","0.0003","84.407","0.002","89.589","0.002","82.07","0.002","877.08","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 B N2 S3 -","- C15 H25 B N2 S3 -","- C30 H50 B2 N4 S6 -","2","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0357","0.0296","","","0.0716","0.075","","","","","","1.044","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546444","8.20315","0.0001","16.7145","0.0002","37.3775","0.0007","90","","95.505","0.002","90","","5101.25","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 B N3 S2 -","- C26 H34 B N3 S2 -","- C208 H272 B8 N24 S16 -","8","2","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0467","0.0355","","","0.0856","0.0919","","","","","","1.027","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546445","8.8243","0.0002","10.9964","0.0002","12.7995","0.0003","90","","90","","90","","1242.01","0.05","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C11 H10 B I N4 -","- C11 H10 B I N4 -","- C44 H40 B4 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0215","0.0185","","","0.0444","0.0456","","","","","","1.107","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546446","12.63216","0.0001","13.55052","0.0001","16.37821","0.0001","90","","90","","90","","2803.5","0.03","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 B N2 S3 -","- C27 H39 B N2 S3 -","- C108 H156 B4 N8 S12 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0258","0.0256","","","0.069","0.0693","","","","","","1.05","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546447","10.4737","0.0002","12.0926","0.0002","13.1679","0.0003","90","","104.764","0.002","90","","1612.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B N3 S2 -","- C14 H20 B N3 S2 -","- C56 H80 B4 N12 S8 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.044","0.0364","","","0.0836","0.0868","","","","","","1.064","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546448","11.0134","0.0001","21.1517","0.0002","13.8999","0.0001","90","","90.555","0.001","90","","3237.86","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B N4 Sn -","- C14 H19 B N4 Sn -","- C112 H152 B8 N32 Sn8 -","8","2","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","x-ray","0.71073","MoKα","","0.0342","0.0263","","","0.0497","0.052","","","","","","1.102","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546449","10.8977","0.0004","12.4002","0.0004","11.6286","0.0002","90","","90","","90","","1571.42","0.08","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H14 B Cl2 I N4 -","- C10 H14 B Cl2 I N4 -","- C40 H56 B4 Cl8 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0184","0.0169","","","0.0351","0.0359","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546450","9.5297","0.0002","8.5096","0.0002","16.0181","0.0004","90","","94.741","0.002","90","","1294.53","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 B N3 S Si -","- C8 H14 B N3 S Si -","- C32 H56 B4 N12 S4 Si4 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0296","0.0267","","","0.0686","0.0704","","","","","","1.06","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546451","9.0098","0.0001","22.6206","0.0002","13.0457","0.0001","90","","100.351","0.001","90","","2615.54","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 B2 K2 N8 O12 -","- C46 H68 B2 K2 N8 O12 -","- C92 H136 B4 K4 N16 O24 -","2","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0395","0.0361","","","0.0956","0.0986","","","","","","1.047","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546452","33.0927","0.0005","30.3266","0.0004","25.1212","0.0004","90","","106.881","0.002","90","","24125","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C243 H296 B9 K9 N36 O4 -","- C207 H216 B9 K9 N36 -","- C828 H864 B36 K36 N144 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0474","0.039","","","0.0968","0.1013","","","","","","1.02","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546453","8.5576","0.0003","9.7069","0.0003","16.4514","0.0006","90","","90","","90","","1366.58","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 B N4 S -","- C11 H17 B N4 S -","- C44 H68 B4 N16 S4 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0471","0.038","","","0.0781","0.0823","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546454","16.1393","0.0003","7.9763","0.0002","34.8942","0.0007","90","","90","","90","","4492","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B N4 -","- C24 H27 B N4 -","- C192 H216 B8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0549","0.0514","","","0.1465","0.1501","","","","","","1.057","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546455","31.987","0.002","8.6554","0.0006","16.7007","0.0009","90","","90","","90","","4623.8","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H30 B Cl2 N4 P -","- C20 H30 B Cl2 N4 P -","- C160 H240 B8 Cl16 N32 P8 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.05","0.0393","","","0.0927","0.099","","","","","","1.032","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546456","11.3418","0.0003","18.4372","0.0005","12.9532","0.0003","90","","90","","90","","2708.66","0.12","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12.5 H14 B Cl N4 -","- C12.5 H14 B Cl N4 -","- C100 H112 B8 Cl8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0335","0.0327","","","0.0851","0.0861","","","","","","1.049","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546457","16.575","0.0003","17.3066","0.0002","23.9859","0.0004","90","","90.036","0.002","90","","6880.52","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 B I N4 -","- C23 H24 B I N4 -","- C276 H288 B12 I12 N48 -","12","3","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0358","0.0292","","","0.0606","0.0627","","","","","","1.059","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546479","25.2002","0.0016","19.5179","0.001","17.5099","0.0009","90","","98.942","0.006","90","","8507.7","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H158 N8 Se Si6 U2 -","- C73 H158 N8 Se Si6 U2 -","- C292 H632 N32 Se4 Si24 U8 -","4","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0356","0.0331","","","0.0819","0.0834","","","","","","1.051","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546480","29.155","0.006","13.416","0.003","22.949","0.005","90","","105.344","0.004","90","","8656","3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H166 N8 O2 S Si6 U2 -","- C74 H166 N8 O2 S Si6 U2 -","- C296 H664 N32 O8 S4 Si24 U8 -","4","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","0.71073","MoKα","","0.1027","0.0659","","","0.1056","0.1146","","","","","","1.107","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546481","13.4366","0.0005","14.7631","0.0005","25.3924","0.0009","90","","90","","90","","5037","0.3","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H93 N7 O P Si3 U -","- C39 H93 N7 O P Si3 U -","- C156 H372 N28 O4 P4 Si12 U4 -","4","1","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","x-ray","0.71073","MoKα","","0.0277","0.0255","","","0.0544","0.0552","","","","","","0.996","","","","has coordinates","198497","2020-10-21","18:00:00",""
"1546482","12.9125","0.001","22.4587","0.0004","23.3257","0.0018","90","","144.194","0.017","90","","3957.5","1.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H150 N8 S2 Si6 U2 -","- C66 H150 N8 S2 Si6 U2 -","- C132 H300 N16 S4 Si12 U4 -","2","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0256","0.0251","","","0.0616","0.0619","","","","","","1.068","","","","has coordinates","198497","2020-10-21","18:00:00",""
"1546483","13.8022","0.0003","16.3751","0.0005","18.0985","0.0006","90","","92.474","0.003","90","","4086.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H150 N8 Si6 Te U2 -","- C66 H150 N8 Si6 Te U2 -","- C132 H300 N16 Si12 Te2 U4 -","2","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0897","0.0814","","","0.211","0.219","","","","","","1.143","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546503","19.2187","0.0018","17.1982","0.0018","19.999","0.003","90","","90.738","0.012","90","","6609.7","1.4","150","","150","","","","","","","","SYN","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C248 H272 B4 F96 P8 Rh4 -","4","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.145","0.1072","","0.3333","0.2509","0.3327","","","","","","0.9981","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546504","12.7894","0.0007","12.8961","0.0007","19.8711","0.0008","91.256","0.004","90.745","0.004","96.863","0.004","3252.7","0.3","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C61 H66 B F24 P2 Rh -","- C61 H66 B F24 P2 Rh -","- C122 H132 B2 F48 P4 Rh2 -","2","1","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.1525","0.1277","","0.3806","0.3264","0.3806","","","","","","0.9616","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546505","25.8617","0.0003","25.8617","0.0003","20.302","0.0003","90","","90","","120","","11759.4","0.3","150","","150","","","","","","","","SYN","6","P 63 2 2","P 6c 2c","182","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C372 H408 B6 F144 P12 Rh6 -","6","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.0868","0.0666","","0.2106","0.1776","0.2105","","","","","","0.9722","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546506","19.1979","0.001","17.1549","0.0015","19.9732","0.0012","90","","90.31","0.006","90","","6577.8","0.8","150.01","0.1","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C248 H272 B4 F96 P8 Rh4 -","4","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.54184","CuKα","","0.1106","0.1019","","","0.2487","0.2542","","","","","","1.09","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546507","13.4908","0.0004","14.2693","0.0004","18.1051","0.0004","98.549","0.002","102.097","0.002","94.411","0.002","3348.94","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 B F24 P2 Rh -","- C64 H72 B F24 P2 Rh -","- C128 H144 B2 F48 P4 Rh2 -","2","1","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","x-ray","1.54184","CuKα","","0.061","0.0552","","","0.1417","0.1475","","","","","","1.043","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546516","5.0215","0.0005","8.6681","0.0009","12.6928","0.0013","80.344","0.001","83.072","0.001","88.4","0.001","540.66","0.1","90","","90","","","","","","","","","5","P 1","P 1","1","","","","- C11 H12 F3 N O -","- C11 H12 F3 N O -","- C22 H24 F6 N2 O2 -","2","2","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0211","0.021","","","0.0544","0.0545","","","","","","1.087","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546517","13.8754","0.0011","14.2531","0.0012","17.5717","0.0014","90","","90","","90","","3475.1","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DBXS","","","- C17 H19 B F6 S -","- C17 H19 B F6 S -","- C136 H152 B8 F48 S8 -","8","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0306","0.0279","","","0.0694","0.072","","","","","","0.98","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546518","8.8605","0.0008","12.7157","0.0014","13.9809","0.0014","90","","90","","90","","1575.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0722","0.0445","","","0.0826","0.0914","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546519","10.159","0.004","9.48","0.004","29.456","0.01","90","","90","","90","","2836.8","1.9","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O3 -","- C17 H11 F3 O3 -","- C136 H88 F24 O24 -","8","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.1075","0.0635","","","0.1258","0.1409","","","","","","1.081","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546520","5.4622","0.0003","15.8611","0.001","19.1121","0.001","90","","90","","90","","1655.81","0.16","139","2","139","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 F3 O S -","- C21 H13 F3 O S -","- C84 H52 F12 O4 S4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.064","0.0418","","","0.0755","0.0826","","","","","","1.051","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546521","8.8354","0.0004","12.2152","0.0005","14.1439","0.0007","90","","90","","90","","1526.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br F3 N O -","- C17 H11 Br F3 N O -","- C68 H44 Br4 F12 N4 O4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0409","0.0317","","","0.0566","0.059","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546532","28.3369","0.0004","28.3369","0.0004","58.9056","0.0013","90","","90","","120","","40963","1.2","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C56 H74 N21 O11 P2 -","- C56 H74 N21 O11 P2 -","- C336 H444 N126 O66 P12 -","6","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1571","0.1378","","","0.3698","0.3929","","","","","","1.355","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1546533","26.9085","0.0008","36.123","0.0011","41.16","0.003","90","","92.306","0.004","90","","39976","3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C498 H722 N171 O97 P16 S -","- C498 H722 N171 O97 P16 S -","- C996 H1444 N342 O194 P32 S2 -","2","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.2948","0.1303","","","0.3123","0.4534","","","","","","0.941","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1546534","22.1903","0.0003","31.9713","0.0004","61.8821","0.0004","76.0283","0.0008","79.8139","0.0008","73.4101","0.0011","40554.3","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C585 H888 N173 O108 P16 -","- C585 H888 N173 O108 P16 -","- C1170 H1776 N346 O216 P32 -","2","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1171","0.08","","","0.2302","0.271","","","","","","1.025","","","","has coordinates,has disorder","198705","2020-10-21","18:00:00",""
"1546535","28.2322","0.0003","28.4659","0.0003","39.1611","0.0005","72.431","0.001","82.444","0.001","60.389","0.001","26079.5","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C224 H354 N66 O38.61 P6 S4 -","- C224 H354 N66 O38.6135 P6 S4 -","- C896 H1416 N264 O154.454 P24 S16 -","4","2","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1375","0.1161","","","0.3604","0.3926","","","","","","1.671","","","","has coordinates,has disorder","198705","2020-10-21","18:00:00",""
"1546540","13.548","0.005","18.581","0.009","20.379","0.007","90","","100.01","0.02","90","","5052","4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DH-113","","- C36 H76 Nb O2 P3 Si6 -","- C36 H76 Nb O2 P3 Si6 -","- C144 H304 Nb4 O8 P12 Si24 -","4","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.287","0.0815","","","0.1404","0.1713","","","","","","0.826","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546541","20.237","0.003","15.315","0.002","9.1804","0.0013","90","","90","","90","","2845.3","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H30 Cl Ge Nb O3 -","- C32 H30 Cl Ge Nb O3 -","- C128 H120 Cl4 Ge4 Nb4 O12 -","4","0.5","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0599","0.0384","","","0.0834","0.0907","","","","","","1.066","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546542","8.5148","0.0006","23.2579","0.0016","12.0766","0.0008","90","","108.779","0.002","90","","2264.3","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H60 Nb O2 P3 Si Sn -","- C43 H60 Nb O2 P3 Si Sn -","- C86 H120 Nb2 O4 P6 Si2 Sn2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0782","0.0703","","","0.1707","0.1737","","","","","","1.233","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546543","8.418","0.0003","22.9239","0.0007","11.8653","0.0005","90","","107.548","0.0016","90","","2183.14","0.14","123","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","DH-34-2","","- C40 H60 Ge Nb O3 P3 Si -","- C40 H60 Ge Nb O3 P3 Si -","- C80 H120 Ge2 Nb2 O6 P6 Si2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0305","0.0283","","","0.0666","0.0675","","","","","","1.027","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546563","8.56023","0.00006","16.3196","0.00016","6.91885","0.00005","90","","94.8033","0.0007","90","","963.166","0.014","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 O4 -","- C8 H6 Br2 O4 -","- C32 H24 Br8 O16 -","4","1","","Simeth, Nadja; Kneuttinger, Andrea; Sterner, Reinhard; Koenig, Burkhard","Photochromic Coenzyme Q Derivatives: Switching Redox Potentials with Light","Chem. Sci.","2017","","","","","10.1039/C7SC00781G","","x-ray","1.54184","CuKα","","0.0276","0.0271","","","0.0685","0.0688","","","","","","1.191","","","","has coordinates","198869","2020-10-21","18:00:00",""
"1546584","19.1131","0.0019","19.1131","0.0019","14.8158","0.0016","90","","90","","90","","5412.4","1","183","2","183.15","","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C29 H26 Au Cl N2 O2 -","- C29 H26 Au Cl N2 O2 -","- C232 H208 Au8 Cl8 N16 O16 -","8","0.5","","McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan","Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02153D","","","0.71073","MoKα","","0.0319","0.0292","","","0.0618","0.0658","","","","","","1.072","","","","has coordinates","198905","2020-10-21","18:00:00",""
"1546585","22.04","0.003","16.674","0.002","14.2441","0.0017","90","","90","","90","","5234.6","1.1","150","2","150.15","","","","","","","","","7","P n a 21","P 2c -2n","33","[Bis(NQMes)Au][AgCl2]","","","- C58 H52 Ag Au Cl2 N4 O4 -","- C58 H52 Ag Au Cl2 N4 O4 -","- C232 H208 Ag4 Au4 Cl8 N16 O16 -","4","1","","McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan","Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02153D","","","0.71073","MoKα","","0.0297","0.0238","","","0.0645","0.0672","","","","","","1.037","","","","has coordinates","198905","2020-10-21","18:00:00",""
"1546618","13.2053","0.0005","5.3447","0.0002","15.9599","0.0007","90","","93.674","0.001","90","","1124.11","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Xu, Xue; Wang, Yong; Cui, Xin; Wojtas, Lukasz; Zhang, Peter","Metalloradical Activation of α-Formyldiazoacetates for Catalytic Asymmetric Radical Cyclopropanation of Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC00658F","","","1.54178","CuKα","","0.0267","0.0258","","","0.0595","0.0604","","","","","","1.07","","","","has coordinates","199006","2020-10-21","18:00:00",""
"1546619","9.8953","0.0004","12.1959","0.0005","12.3731","0.0005","110","0.004","107.743","0.003","96.007","0.003","1299.51","0.11","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Cl4 N4 Ni2 -","- C54 H76 Cl4 N4 Ni2 -","- C54 H76 Cl4 N4 Ni2 -","1","0.5","","Kang, Byungjoon; Hong, Soon Hyeok","Photoredox Mediated Nickel Catalyzed C(sp3)‒H Thiocarbonylation of Ethers","Chem. Sci.","2017","","","","","10.1039/C7SC02516E","","x-ray","1.54184","CuKα","","0.0604","0.0535","","","0.1521","0.1583","","","","","","1.06","","","","has coordinates,has disorder","199007","2020-10-21","18:00:00",""
"1546620","9.5654","0.0007","10.5731","0.0008","13.0829","0.0009","103.702","0.002","107.842","0.002","96.75","0.002","1197.54","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","MSU0048","","- C25 H29 N2 O4 S2 -","- C25 H29 N2 O4 S2 -","- C50 H58 N4 O8 S4 -","2","1","","Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin","Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC02576A","","","0.71073","MoKα","","0.0461","0.0346","","","0.0897","0.0936","","","","","","1.068","","","","has coordinates,has disorder","199008","2020-10-21","18:00:00",""
"1546621","43.257","0.003","7.7831","0.0005","14.4728","0.0009","90","","95.035","0.004","90","","4853.8","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","MSU0049","","- C25 H25 Cl N2 O4 S2 -","- C25 H25 Cl N2 O4 S2 -","- C200 H200 Cl8 N16 O32 S16 -","8","1","","Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin","Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC02576A","","","0.71073","MoKα","","0.0439","0.0376","","","0.0957","0.0995","","","","","","1.052","","","","has coordinates","199008","2020-10-21","18:00:00",""
"1546622","7.2451","0.00014","9.38179","0.00017","10.91846","0.00019","90","","90.4932","0.0016","90","","742.12","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N3 O5 -","- C16 H13 N3 O5 -","- C32 H26 N6 O10 -","2","1","","Cheng, Li-Jie; Brown, Alexander P., N.; Cordier, Christopher J.","Enantioselective Propargylic [1,3]-Rearrangements: Copper-Catalyzed O-to-N Migrations Toward C‒N Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC01042G","","","1.54184","CuKα","","0.0341","0.0293","","","0.0686","0.0727","","","","","","1.093","","","","has coordinates","199009","2020-10-21","18:00:00",""
"1546623","21.9182","0.0009","6.1752","0.0003","14.8927","0.0006","90","","100.846","0.004","90","","1979.71","0.15","135","","135","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C76 H112 O12 Si4 -","4","2","","Zhang, Yu; Liao, Yuting; Liu, Xiaohua; Xu, Xi; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Hydroxylative Dearomatization of 2-Naphthols: Synthesis of Lacinilene Derivatives","Chem. Sci.","2017","","","","","10.1039/C7SC02809A","","x-ray","1.54184","CuKα","","0.0671","0.0608","","","0.1649","0.1857","","","","","","1.074","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546741","9.2078","0.00013","10.49143","0.00018","16.4278","0.0003","90","","96.1345","0.0014","90","","1577.89","0.05","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H38 F6 N6 O4 P Ru -","- C28 H38 F6 N6 O4 P Ru -","- C56 H76 F12 N12 O8 P2 Ru2 -","2","0.5","","Li, Cai; Ip, Kwok-Wa; Man, Wai-Lun; Song, Dan; He, Ming-Liang; Yiu, Shek-Man; Lau, Tai-Chu; ZHU, Guangyu","Cytotoxic (Salen)ruthenium(III) Anticancer Complexes Exhibit Different Modes of Cell Death Directed by Axial Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02205K","","","1.54178","CuKα","","0.0381","0.0377","","","0.1008","0.1012","","","","","","1.042","","","","has coordinates,has disorder","199416","2020-10-21","18:00:00",""
"1546742","14.1727","0.0004","16.5751","0.0004","14.5768","0.0004","90","","110.762","0.003","90","","3201.92","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 F6 N8 O3 P Ru -","- C26 H40 F6 N8 O3 P Ru -","- C104 H160 F24 N32 O12 P4 Ru4 -","4","1","","Li, Cai; Ip, Kwok-Wa; Man, Wai-Lun; Song, Dan; He, Ming-Liang; Yiu, Shek-Man; Lau, Tai-Chu; ZHU, Guangyu","Cytotoxic (Salen)ruthenium(III) Anticancer Complexes Exhibit Different Modes of Cell Death Directed by Axial Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02205K","","","1.54178","CuKα","","0.0644","0.0531","","","0.147","0.1572","","","","","","0.997","","","","has coordinates,has disorder","199416","2020-10-21","18:00:00",""
"1546743","12.1887","0.0006","12.7433","0.0007","16.8304","0.001","83.56","0.005","75.676","0.005","74.313","0.005","2435.7","0.2","180","0.1","180","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","1","0.5","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.0888","0.0609","","","0.1443","0.1668","","","","","","1.035","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546744","7.6252","0.0003","17.9614","0.0005","12.5733","0.0004","90","","101.302","0.003","90","","1688.64","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cl2 N O2 S2 Sc -","- C11 H22 Cl2 N O2 S2 Sc -","- C44 H88 Cl8 N4 O8 S8 Sc4 -","4","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.0333","0.025","","","0.0597","0.0649","","","","","","1.031","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546745","12.597","0.0016","13.4393","0.0015","15.161","0.003","89.102","0.012","69.72","0.016","89.532","0.01","2407.3","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H60 Cl2 Li O4 Sc Si2 -","- C38 H60 Cl2 Li O4 Sc Si2 -","- C76 H120 Cl4 Li2 O8 Sc2 Si4 -","2","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.1991","0.0878","","","0.1534","0.1937","","","","","","0.852","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546746","7.0301","0.0003","10.1171","0.0005","9.2007","0.0004","90","","101.433","0.004","90","","641.41","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H18 Cl O2 Sc -","- C12 H18 Cl O2 Sc -","- C24 H36 Cl2 O4 Sc2 -","2","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","x-ray","0.71073","MoKα","","0.0407","0.04","","","0.1167","0.1173","","","","","","1.08","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546749","10.7598","0.0006","17.9842","0.0009","14.3349","0.0008","90","","99.782","0.004","90","","2733.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H59 B Fe N2 O P2 -","- C71 H59 B Fe N2 O P2 -","- C142 H118 B2 Fe2 N4 O2 P4 -","2","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.1438","0.0752","","","0.1616","0.1978","","","","","","1.081","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546750","11.301","0.002","14.448","0.003","19.278","0.004","110.941","0.005","97.709","0.006","101.33","0.005","2809.8","1","151","2","151","2","","","","","","","","8","P 1","P 1","1","","","","- C71 H60 B Br Fe N2 O P2 -","- C71 H60 B Br Fe N2 O P2 -","- C142 H120 B2 Br2 Fe2 N4 O2 P4 -","2","2","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","0.71073","MoKα","","0.134","0.0543","","","0.0715","0.0881","","","","","","0.939","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546751","10.9864","0.0004","12.9194","0.0004","40.2053","0.0014","90","","90","","90","","5706.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 B Br Fe N2 O2 P2 -","- C67 H70 B Br Fe N2 O2 P2 -","- C268 H280 B4 Br4 Fe4 N8 O8 P8 -","4","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.0534","0.0468","","","0.1173","0.1211","","","","","","1.065","","","","has coordinates,has disorder","199476","2020-10-21","18:00:00",""
"1546752","8.473","0.005","10.542","0.005","11.891","0.005","90","0.005","106.339","0.005","90","0.005","1019.2","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 Br O4 -","- C23 H21 Br O4 -","- C46 H42 Br2 O8 -","2","1","","Ray Choudhury, Abhijnan; Manna, Madhu Sudan; Mukherjee, Santanu","Nitro-enabled catalytic enantioselective formal umpolung alkenylation of β-ketoesters","Chem. Sci.","2017","","","","","10.1039/C7SC02232H","","","0.71073","MoKα","","0.0368","0.0323","","","0.0767","0.0785","","","","","","1.042","","","","has coordinates","199477","2020-10-21","18:00:00",""
"1546753","10.5628","0.0002","13.4613","0.0003","26.2818","0.0005","79.225","0.001","83.349","0.001","75.404","0.001","3543.33","0.13","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 F3 Mn N6 O9 S2 -","- C31 H30 F2.9999 Mn N6 O8.9999 S2 -","- C124 H120 F11.9996 Mn4 N24 O35.9996 S8 -","4","2","","Reddy G., Upendar; Liu, Jingjing; Hoffmann, Patrick; Steinmetzer, Johannes; Görls, Helmar; Kupfer, Stephan; Askes, Sven H. C.; Neugebauer, Ute; Gräfe, Stefanie; Schiller, Alexander","Light-responsive paper strips as CO-releasing material with a colourimetric response","Chem. Sci.","2017","","","","","10.1039/C7SC01692A","","","0.71073","MoKα","","0.104","0.0887","","","0.2279","0.2428","","","","","","1.018","","","","has coordinates,has disorder","199478","2020-10-21","18:00:00",""
"1546754","6.2718","0.0001","14.7186","0.0001","24.2813","0.0002","90","","90","","90","","2241.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C104 H128 N8 O12 -","4","1","","Flanigan, Darrin M.; Rovis, Tomislav","Enantioselective N-heterocyclic carbene-catalyzed nucleophilic dearomatization of alkyl pyridiniums","Chem. Sci.","2017","","","","","10.1039/C7SC02648J","","x-ray","1.54184","CuKα","","0.0296","0.0288","","","0.0737","0.0743","","","","","","1.045","","","","has coordinates","199504","2020-10-21","18:00:00",""
"1546756","9.4869","0.0007","16.4069","0.0012","12.2003","0.0008","90","","93.931","0.002","90","","1894.5","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B N -","- C20 H34 B N -","- C80 H136 B4 N4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0481","0.0411","","","0.1054","0.111","","","","","","1.027","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546757","15.483","0.0017","9.8194","0.001","16.6483","0.0019","90","","105.121","0.004","90","","2443.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 B N -","- C25 H44 B N -","- C100 H176 B4 N4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0762","0.0469","","","0.0969","0.11","","","","","","1.03","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546758","13.724","0.003","16.513","0.003","23.647","0.005","90","0.03","105.61","0.03","90","0.03","5161","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 B N -","- C29 H44 B N -","- C232 H352 B8 N8 -","8","2","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.1054","0.0663","","","0.1613","0.1884","","","","","","1.041","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546759","17.9286","0.0009","17.5371","0.0009","24.5618","0.0013","90","","90","","90","","7722.6","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 B Li N O3 -","- C40 H63 B Li N O3 -","- C320 H504 B8 Li8 N8 O24 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0818","0.0531","","","0.1133","0.1275","","","","","","1.017","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546760","9.633","0.002","31.696","0.007","10.432","0.002","90","","115.215","0.006","90","","2881.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 B Li N O -","- C29 H53 B Li N O -","- C116 H212 B4 Li4 N4 O4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.072","0.0568","","","0.1363","0.1432","","","","","","1.121","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546761","15.5756","0.001","16.3913","0.001","18.0729","0.0011","90","","90","","90","","4614.1","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H39 B N2 -","- C25 H39 B N2 -","- C200 H312 B8 N16 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0887","0.0466","","","0.1073","0.1295","","","","","","1.02","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546765","5.5338","0.0006","16.6117","0.0017","26.533","0.003","90","","90","","90","","2439.1","0.5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N4 O7 -","- C27 H28 N4 O7 -","- C108 H112 N16 O28 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","1.54178","CuKα","","0.052","0.0471","","","0.1278","0.1352","","","","","","1.088","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546766","5.8597","0.0006","8.435","0.0008","35.607","0.004","90","","90","","90","","1759.9","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","0.71073","MoKα","","0.0555","0.0467","","","0.0946","0.0978","","","","","","1.089","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546779","6.6282","0.00013","12.7871","0.0002","29.3443","0.0005","81.5019","0.0014","84.6748","0.0015","75.0869","0.0016","2373.02","0.07","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C100 H148 F4 O20 -","4","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0396","0.0375","","","0.1066","0.1087","","","","","","1.031","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546780","12.91998","0.00013","18.73733","0.00015","7.59349","0.00007","90","","90","","90","","1838.28","0.03","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H29 F O2 -","- C21 H29 F O2 -","- C84 H116 F4 O8 -","4","1","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0493","0.0485","","","0.1309","0.1318","","","","","","1.027","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546781","14.1167","0.0002","11.44999","0.00015","29.4125","0.0004","90","","103.821","0.0015","90","","4616.48","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C200 H296 F8 O40 -","8","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0425","0.0408","","","0.1066","0.1089","","","","","","1.013","","","","has coordinates","199723","2020-10-21","18:00:00",""
"1546783","11.18234","0.00017","5.96601","0.0001","23.6894","0.0004","90","","94.8227","0.0014","90","","1574.82","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O0 S -","- C20 H17 N S -","- C80 H68 N4 S4 -","4","1","","Jiang, Huanfeng; Huang, Yubing; Li, Xianwei; Wang, Xu; Yu, Yue; Zheng, Jia; Wu, Wanqing","Copper-Catalyzed Cyanothiolation to Incorporate Sulfur-Substituted Quaternary Carbon Center","Chem. Sci.","2017","","","","","10.1039/C7SC02867A","","x-ray","1.54184","CuKα","","0.0389","0.0369","","","0.0976","0.0999","","","","","","1.073","","","","has coordinates","199787","2020-10-21","18:00:00",""
"1546785","12.8533","0.0003","14.3215","0.0004","20.7096","0.0008","86.942","0.003","76.463","0.003","83.026","0.002","3677.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32.3 H45.6 I2 N4 O2.5 S2.2 -","- C32.3 H33 I2 N4 O2.5 S2.2 -","- C129.2 H132 I8 N16 O10 S8.8 -","4","2","","Shi, Xiujuan; Yu, Chris Y. Y.; Su, Huifang; Kwok, Ryan T. K.; Jiang, Meijuan; He, Zikai; Lam, Jacky Wing Yip; Tang, Ben Zhong","Red-emissive antibody-AIEgen conjugate for turn-on and wash-free imaging of specific cancer cell","Chem. Sci.","2017","","","","","10.1039/C7SC01054K","","x-ray","1.54184","CuKα","","0.0312","0.0305","","","0.0823","0.083","","","","","","1.005","","","","has coordinates,has disorder","199830","2020-10-21","18:00:00",""
"1546793","6.1168","0.0003","12.5792","0.001","13.3742","0.001","113.132","0.007","92.441","0.005","103.376","0.005","910.36","0.12","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","","Rivilla de la Cruz, Iván; de Cózar, Abel; Schäfer, Thomas; Hernandez, Frank J.; Bittner, Alexander M.; Eleta, Aitziber; Aboudzadeh, Ali; SANTOS, JOSE IGNACIO; Miranda, José Ignacio; Cossio, Fernando","Catalysis of a 1,3-dipolar reaction by distorted DNA incorporating a heterobimetallic platinum (II) and copper (II) complex","Chem. Sci.","2017","","","","","10.1039/C7SC02311A","","x-ray","1.54184","CuKα","","0.0837","0.0806","","","0.2286","0.2314","","","","","","1.112","","","","has coordinates","199882","2020-10-21","18:00:00",""
"1546794","6.5875","0.0001","25.7074","0.0003","10.0552","0.0001","90","","101.245","0.001","90","","1670.13","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C72 H64 N8 O16 S4 -","4","1","","Rivilla de la Cruz, Iván; de Cózar, Abel; Schäfer, Thomas; Hernandez, Frank J.; Bittner, Alexander M.; Eleta, Aitziber; Aboudzadeh, Ali; SANTOS, JOSE IGNACIO; Miranda, José Ignacio; Cossio, Fernando","Catalysis of a 1,3-dipolar reaction by distorted DNA incorporating a heterobimetallic platinum (II) and copper (II) complex","Chem. Sci.","2017","","","","","10.1039/C7SC02311A","","x-ray","1.54184","CuKα","","0.0375","0.0358","","","0.0902","0.0918","","","","","","1.062","","","","has coordinates,has disorder","199882","2020-10-21","18:00:00",""
"1546803","10.6675","0.0004","10.7859","0.0004","29.4456","0.0013","87.957","0.001","86.644","0.001","64.109","0.001","3042.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Au F3 N2 -","- C40 H26 Au F3 N2 -","- C160 H104 Au4 F12 N8 -","4","2","","Wong, Ben Yiu-Wing; Wong, Hok-Lai; Wong, Yi-Chun; Au, Vonika Ka-Man; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Multi-functional bis(alkynyl)gold(iii) N⁁C complexes with distinct mechanochromic luminescence and electroluminescence properties","Chem. Sci.","2017","","","","","10.1039/C7SC02410J","","","0.71073","MoKα","","0.0757","0.041","","","0.0507","0.0565","","","","","","1.039","","","","has coordinates","199913","2020-10-21","18:00:00",""
"1546842","28.9068","0.0004","7.9025","0.0001","8.9889","0.0001","90","","90","","90","","2053.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","1","","Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme","Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes","Chemical Science","2017","8","10","7112","7118","10.1039/C7SC03197A","","x-ray","1.54184","CuKα","","0.0243","0.0236","","","0.0639","0.0645","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546908","8.6226","0.0012","13.6329","0.0018","22.798","0.003","90","","90","","90","","2679.9","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Wang, Guo-Peng; Chen, Meng-Qing; Zhu, Shou-Fei; Zhou, Qi-Lin","Enantioselective Nazarov cyclization of indole enones cooperatively catalyzed by Lewis acids and chiral Brønsted acids","Chem. Sci.","2017","","","","","10.1039/C7SC03183A","","","0.71073","MoKα","","0.0272","0.0248","","","0.0685","0.0696","","","","","","1.058","","","","has coordinates","199994","2020-10-21","18:00:00",""
"1546909","10.4508","0.0005","24.6808","0.0011","29.1391","0.0013","90","","94.151","0.004","90","","7496.3","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H48 Cl3 F12 O3 P3 Pd3 S4 -","- C73 H48 Cl3 F12 O3 P3 Pd3 S4 -","- C292 H192 Cl12 F48 O12 P12 Pd12 S16 -","4","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","x-ray","0.71073","MoKα","","0.0571","0.0386","","","0.0821","0.0928","","","","","","1.077","","","","has coordinates,has disorder","199995","2020-10-21","18:00:00",""
"1546910","21.8782","0.0004","22.7145","0.0004","39.349","0.003","90","","90","","90","","19554.6","1.6","200","","200","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C704 H656 Ag8 Cl24 F168 O40 P24 Pd24 S24 Sb16 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.0876","0.0665","","","0.1604","0.192","","","","","","1.16","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546911","19.9665","0.0004","30.9093","0.0006","32.546","0.002","90","","90","","90","","20085.8","1.4","200","","200","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C582 H422 Ag8 B16 Cl42 F136 O16 P24 Pd24 S24 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.1117","0.0802","","","0.2131","0.2819","","","","","","1.202","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546915","19.8561","0.001","7.9076","0.0004","12.5788","0.0006","90","","101.555","0.0016","90","","1935.02","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C84 H116 N4 O20 -","4","1","","Ho (Kenny) Park, Kun; Chen, Rui; Chen, David Y.-K.","Programmed serial stereochemical relay and its application in the synthesis of morphinans","Chem. Sci.","2017","","","","","10.1039/C7SC03189K","","","0.71073","MoKα","","0.0848","0.0464","","","0.0924","0.1058","","","","","","1.017","","","","has coordinates","200012","2020-10-21","18:00:00",""
"1546916","8.087","0.002","10.797","0.003","22.609","0.006","90","","90","","90","","1974.1","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C84 H112 O28 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","","1.54187","CuKα","","0.0331","0.0314","","","0.0828","0.0841","","","","","","1.071","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546917","7.2879","0.0003","11.3154","0.0005","13.6084","0.0005","90","","90","","90","","1122.22","0.08","135","0.1","135","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I2 O2 -","- C8 H12 I2 O2 -","- C32 H48 I8 O8 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","x-ray","0.71073","MoKα","","0.0321","0.0305","","","0.0618","0.0634","","","","","","1.036","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546918","5.7431","0.0013","12.655","0.003","15.118","0.004","69.385","0.006","82.282","0.006","87.431","0.007","1019.1","0.4","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Marichev, Kostiantyn O.; Garcia, Estevan C.; BHOWMICK, KARTICK CHANDRA; Wherritt, Daniel J.; Arman, Hadi; Doyle, Michael P.","Highly selective acylation of polyamines and aminoglycosides by 5-acyl-5-phenyl-1,5-dihydro-4H-pyrazol-4-ones","Chem. Sci.","2017","","","","","10.1039/C7SC03184J","","","0.71075","MoKα","","0.077","0.061","","","0.1302","0.1385","","","","","","1.001","","","","has coordinates","200014","2020-10-21","18:00:00",""
"1546919","6.1284","0.0012","10.938","0.002","11.925","0.002","114.2","0.03","90.94","0.03","91.43","0.03","728.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Li, Kai; Liu, Yuanyuan; Li, Yuanyuan; Feng, Qi; Hou, Hongwei; Tang, Ben Zhong","2,5-bis(4-alkoxycarbonylphenyl)-1,4-diaryl-1,4-dihydropyrrolo[3,2-b]pyrrole (AAPP) AIEgens: tunable RIR and TICT characteristics and their multifunctional applications","Chem. Sci.","2017","","","","","10.1039/C7SC03076B","","","0.71073","MoKα","","0.1209","0.0967","","","0.2441","0.2591","","","","","","1.239","","","","has coordinates","200045","2020-10-21","18:00:00",""
"1546920","6.1875","0.0003","12.1177","0.0005","12.249","0.0005","63.176","0.004","88.118","0.004","81.174","0.004","809.19","0.07","285","0.1","285","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O2 -","- C19 H14 F3 N O2 -","- C38 H28 F6 N2 O4 -","2","1","","Li, Kai; Liu, Yuanyuan; Li, Yuanyuan; Feng, Qi; Hou, Hongwei; Tang, Ben Zhong","2,5-bis(4-alkoxycarbonylphenyl)-1,4-diaryl-1,4-dihydropyrrolo[3,2-b]pyrrole (AAPP) AIEgens: tunable RIR and TICT characteristics and their multifunctional applications","Chem. Sci.","2017","","","","","10.1039/C7SC03076B","","x-ray","1.54184","CuKα","","0.0641","0.0624","","","0.1758","0.1786","","","","","","1.055","","","","has coordinates","200045","2020-10-21","18:00:00",""
"1546925","7.13","0.0002","7.13","0.0002","66.238","0.002","90","","90","","90","","3367.33","0.17","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","hxq119b","","","- C16 H17 F3 N2 O3 S -","- C16 H17 F3 N2 O3 S -","- C128 H136 F24 N16 O24 S8 -","8","1","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0516","0.0479","","","0.1008","0.102","","","","","","1.224","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1546926","15.7976","0.0009","12.996","0.0008","17.9469","0.0011","90","","112.625","0.002","90","","3401","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","lsp182","","","- C17 H19 N3 O2 S -","- C17 H19 N3 O2 S -","- C136 H152 N24 O16 S8 -","8","4","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0452","0.0353","","","0.0723","0.0759","","","","","","1.037","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1546927","11.9931","0.0005","13.7713","0.0006","14.7325","0.0006","89.48","0.001","67.088","0.001","79.592","0.001","2199.33","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H46 Cl2 F6 N4 O3 P Rh -","- C44 H46 Cl2 F6 N4 O3 P Rh -","- C88 H92 Cl4 F12 N8 O6 P2 Rh2 -","2","1","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0258","0.0223","","","0.055","0.056","","","","","","1.038","","","","has coordinates,has disorder","200105","2020-10-21","18:00:00",""
"1546932","9.4673","0.0004","9.5452","0.0003","11.9144","0.0004","112.855","0.001","99.013","0.001","93.323","0.002","971.51","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N O3 Si -","- C18 H33 N O3 Si -","- C36 H66 N2 O6 Si2 -","2","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0319","0.0312","","","0.0826","0.0837","","","","","","1.046","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546933","9.0924","0.0003","16.5218","0.0006","23.0977","0.0008","90","","90","","90","","3469.8","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O3 Si -","- C15 H29 N O3 Si -","- C120 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.027","0.0266","","","0.0684","0.069","","","","","","1.047","","","","has coordinates,has disorder","200154","2020-10-21","18:00:00",""
"1546934","7.5883","0.0002","30.7424","0.0008","7.7047","0.0002","90","","107.783","0.001","90","","1711.49","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 N O Si -","- C16 H29 N O Si -","- C64 H116 N4 O4 Si4 -","4","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0305","0.0298","","","0.0766","0.0774","","","","","","1.056","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546935","8.9713","0.0003","12.6161","0.0003","31.4987","0.0008","90","","90","","90","","3565.11","0.17","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O3 Si -","- C17 H29 N O3 Si -","- C136 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0262","0.0258","","","0.0696","0.0701","","","","","","1.087","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546936","8.717","0.002","9.709","0.002","14.13","0.003","108.586","0.004","101.655","0.004","97.748","0.004","1084.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O3 Si -","- C24 H29 N O3 Si -","- C48 H58 N2 O6 Si2 -","2","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","0.71073","MoKα","","0.0542","0.0448","","","0.1219","0.1323","","","","","","1.034","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546937","13.0101","0.0006","10.7484","0.0005","16.4288","0.0007","90","","106.67","0.001","90","","2200.81","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O2 Si -","- C24 H27 N3 O2 Si -","- C96 H108 N12 O8 Si4 -","4","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0308","0.0296","","","0.079","0.0806","","","","","","1.028","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546938","13.41","0.02","14.04","0.02","8.042","0.013","90","","100.64","0.03","90","","1488","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium pyrroledithiocarbamate","","- C5 H4 K N S2 -","- C5 H4 K N S2 -","- C40 H32 K8 N8 S16 -","8","2","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0983","0.0497","","","0.0926","0.11","","","","","","0.969","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546939","7.425","0.006","8.392","0.007","11.614","0.009","78.314","0.012","80.939","0.015","89.287","0.017","699.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Potassium imidazoldithiocarbamate","","- C4 H3 K N2 S2 -","- C4 H3 K N2 S2 -","- C16 H12 K4 N8 S8 -","4","2","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0973","0.0521","","","0.1103","0.1182","","","","","","0.877","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546940","5.764","0.0009","28.756","0.005","7.9313","0.0014","90","","110.631","0.01","90","","1230.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Potassium diisopropyldithiocarbamate","","- C7 H18 K N O2 S2 -","- C7 H18 K N O2 S2 -","- C28 H72 K4 N4 O8 S8 -","4","1","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0886","0.0521","","","0.0992","0.1115","","","","","","1.039","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546941","9.6894","0.0007","14.7175","0.0011","17.3626","0.0013","90","","92.186","0.002","90","","2474.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 B F4 N O Si -","- C27 H26 B F4 N O Si -","- C108 H104 B4 F16 N4 O4 Si4 -","4","1","","Wong, Man Kin; Deng, Jie-Ren; Chan, Wing-Cheung; Lai, Nathanael Chun-Him; Yang, Bin; Tsang, Chui-Shan; Ko, Ben, Chi-Bun; Chan, Sharon Lai-Fung","Photosensitizer-free visible light-mediated gold-catalysed cis-difunctionalization of silyl-substituted alkynes","Chem. Sci.","2017","","","","","10.1039/C7SC02294H","","","0.71073","MoKα","","0.1167","0.0745","","","0.1647","0.1865","","","","","","1.002","","","","has coordinates,has disorder","200156","2020-10-21","18:00:00",""
"1546967","19.7501","0.0006","19.7501","0.0006","19.7501","0.0006","90","","90","","90","","7703.9","0.4","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.45 Er K N2 O10 -","- C85.0002 H121.45 Er K N2 O9.9999 -","- C340.001 H485.802 Er4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0501","0.0413","","","0.0805","0.0827","","","","","","1.114","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546968","19.773","0.0007","19.773","0.0007","19.773","0.0007","90","","90","","90","","7730.7","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.6 Dy K N2 O10.6 -","- C85.0002 H121.6 Dy K N2 O10.5999 -","- C340.001 H486.402 Dy4 K4 N8 O42.3996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0571","0.0457","","","0.0916","0.0956","","","","","","1.043","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546969","12.7567","0.0011","15.6646","0.0013","29.878","0.003","90","","96.2651","0.0013","90","","5934.8","0.9","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Dy O3 -","- C63 H75 Dy O3 -","- C252 H300 Dy4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0852","0.0444","","","0.0821","0.0943","","","","","","0.958","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546970","19.7291","0.0009","19.7291","0.0009","19.7291","0.0009","90","","90","","90","","7679.3","0.6","88","2","88","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.35 Gd K N2 O10 -","- C85.0002 H121.35 Gd K N2 O9.9999 -","- C340.001 H485.402 Gd4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0396","0.0372","","","0.094","0.0951","","","","","","1.222","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546971","12.812","0.003","15.716","0.003","29.962","0.006","90","","96.129","0.002","90","","5998","2","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Gd O3 -","- C63 H75 Gd O3 -","- C252 H300 Gd4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0563","0.0339","","","0.0703","0.0766","","","","","","1.014","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546972","21.7362","0.0014","30.613","0.0019","25.4472","0.0016","90","","90","","90","","16932.8","1.9","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H131.5 Dy K O13 -","- C91 H131.5 Dy K O13 -","- C728 H1052 Dy8 K8 O104 -","8","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.078","0.0583","","","0.1389","0.1486","","","","","","1.101","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546973","13.904","0.003","15.774","0.003","16.856","0.003","99.238","0.003","109.444","0.002","106.032","0.003","3217.8","1.1","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H108 O6 -","- C75 H108 O6 -","- C150 H216 O12 -","2","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.1119","0.057","","","0.1267","0.1517","","","","","","0.985","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546974","12.7631","0.0014","15.646","0.0017","29.91","0.003","90","","96.4368","0.0015","90","","5935.1","1.1","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Er O3 -","- C63 H75 Er O3 -","- C252 H300 Er4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0565","0.0335","","","0.0672","0.0741","","","","","","0.985","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546975","11.5124","0.001","36.81","0.003","11.9512","0.001","90","","106.73","0.0009","90","","4850.2","0.7","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Nd O3 -","- C63 H75 Nd O3 -","- C252 H300 Nd4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0551","0.0453","","","0.0825","0.085","","","","","","1.228","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546976","19.798","0.003","19.798","0.003","19.798","0.003","90","","90","","90","","7760","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.37 Dy K N2 O10 -","- C85.0002 H121.37 Dy K N2 O9.9999 -","- C340.001 H485.482 Dy4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.045","0.0417","","","0.0959","0.097","","","","","","1.218","","","","has coordinates,has disorder","200358","2020-10-21","18:00:00",""
"1546995","18.548","0.004","11.9461","0.0013","18.0773","0.0018","90","","96.376","0.014","90","","3980.7","1","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","Compound 24","","- C17.67 H21.28 Cl1.3 N0.89 O1.78 -","- C17.6724 H21.2813 Cl1.30222 N0.888889 O1.77778 -","- C159.052 H191.532 Cl11.72 N8 O16 -","9","2.25","","Dixon, Darren; Xie, Lan-Gui","Tertiary Amine Synthesis via Reductive Coupling of Amides with Grignard Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03613B","","","1.54184","CuKα","","0.1184","0.0893","","0.2966","0.2241","0.2959","","","","","","1.0347","","","","has coordinates,has disorder","200505","2020-10-21","18:00:00",""
"1546996","18.6598","0.0007","18.6598","0.0007","18.6598","0.0007","90","","90","","90","","6497.1","0.4","103","2","103","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C8 H8 Cd2 N20 -","- C8 H8 Cd2 N20.0033 -","- C96 H96 Cd24 N240.04 -","12","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0255","0.0246","","","0.0596","0.0603","","","","","","1.017","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546997","17.6639","0.0019","17.6639","0.0019","17.6639","0.0019","90","","90","","90","","5511.4","1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C96 H96 N144 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0354","0.034","","","0.0989","0.1006","","","","","","1.019","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546998","18.148","0.002","18.148","0.002","18.148","0.002","90","","90","","90","","5977","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Mn N6 -","- C4 H4 Mn N6 -","- C96 H96 Mn24 N144 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0272","0.0253","","","0.062","0.0629","","","","","","1.025","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546999","18.143","0.004","18.143","0.004","18.143","0.004","90","","90","","90","","5972","2","153","2","153","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C48 H48 Mn12 N72 O12 -","- C48 H48 Mn12 N72 O12.16 -","- C96 H96 Mn24 N144 O24.32 -","2","0.0104167","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0389","0.0293","","","0.0748","0.08","","","","","","1.016","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547000","18.6249","0.0018","18.6249","0.0018","18.6249","0.0018","90","","90","","90","","6460.7","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Cd N6 -","- C4 H4 Cd N6 -","- C96 H96 Cd24 N144 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0216","0.0193","","","0.0466","0.0484","","","","","","1.037","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547001","18.6035","0.0013","18.6035","0.0013","18.6035","0.0013","90","","90","","90","","6438.5","0.8","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Cd N7 -","- C4 H4 Cd N6.98667 -","- C96 H96 Cd24 N167.68 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0184","0.0166","","","0.0461","0.0485","","","","","","1.044","","","","has coordinates,has disorder","200507","2020-10-21","18:00:00",""
"1547002","18.6158","0.0019","18.6158","0.0019","18.6158","0.0019","90","","90","","90","","6451.3","1.1","103","2","103","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4.1 Cd N6 O0.82 -","- C4 H4.08 Cd N6 O0.813333 -","- C96 H97.92 Cd24 N144 O19.52 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0285","0.0246","","","0.0678","0.0725","","","","","","1.087","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547003","17.656","0.002","17.656","0.002","17.656","0.002","90","","90","","90","","5504","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N8 Zn -","- C4 H4 N7.97333 Zn -","- C96 H96 N191.36 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0233","0.0198","","","0.0483","0.0503","","","","","","1.049","","","","has coordinates,has disorder","200507","2020-10-21","18:00:00",""
"1547004","17.715","0.003","17.715","0.003","17.715","0.003","90","","90","","90","","5559.3","1.6","93","2","93","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N6 O1.33 Zn -","- C4 H4 N6 O1.33333 Zn -","- C96 H96 N144 O32 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0339","0.0295","","","0.0685","0.0716","","","","","","1.034","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547135","12.0598","0.0007","16.2046","0.001","17.0517","0.001","71.592","0.005","86.228","0.005","78.678","0.005","3100.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 K N3 O7 -","- C30 H40 K N3 O7 -","- C120 H160 K4 N12 O28 -","4","2","","Mandal, Swadhin K.; Ahmed, Jasimuddin; P, Sreejyothi; Vijaykumar, Gonela; Jose, Anex; Raj, Manthan","New Face of Phenalenyl Based Radical in Transition Metal Free C-H Arylation of Heteroarenes at Room Temperature: Trapping the Radical Initiator via C-C σ Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC02661G","","x-ray","0.71073","MoKα","","0.1451","0.0847","","","0.1832","0.219","","","","","","1.03","","","","has coordinates","200808","2020-10-21","18:00:00",""
"1547136","9.216","0.0012","10.4837","0.0015","14.3635","0.0019","81.176","0.004","78.995","0.004","73.107","0.004","1296.4","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 B2 Br2 Cl6 N4 -","- C52 H56 B2 Br2 Cl6 N4 -","- C52 H56 B2 Br2 Cl6 N4 -","1","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1048","0.05","","","0.0908","0.1057","","","","","","0.999","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547137","17.2104","0.0007","19.0002","0.0008","22.3578","0.001","90","","96.6","0.003","90","","7262.6","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H60 B3 F22 N4 -","- C81 H60 B3 F22 N4 -","- C324 H240 B12 F88 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1548","0.066","","","0.1526","0.2101","","","","","","1.007","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547138","16.2212","0.0012","17.6789","0.0012","15.934","0.0013","90","","109.755","0.004","90","","4300.5","0.6","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 B2 F2 N4 -","- C50 H52 B2 F2 N4 -","- C200 H208 B8 F8 N16 -","4","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1094","0.0504","","","0.1073","0.1344","","","","","","1.004","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547139","15.662","0.003","17.724","0.003","16.037","0.003","90","","109.914","0.005","90","","4185.6","1.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 B2 N4 -","- C50 H54 B2 N4 -","- C200 H216 B8 N16 -","4","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1922","0.0782","","","0.1357","0.1728","","","","","","1.006","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547140","17.0654","0.0002","18.7504","0.0002","22.9274","0.0003","90","","97.0523","0.0005","90","","7280.88","0.15","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H62 B3 F20 N4 -","- C81 H62 B3 F20 N4 -","- C324 H248 B12 F80 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","1.54178","CuKα","","0.058","0.0532","","","0.1588","0.1656","","","","","","1.085","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547141","21.6523","0.0007","12.031","0.0004","22.3972","0.0007","90","","117.882","0.0013","90","","5157.1","0.3","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H59 B2 Cl4 F3 N4 O3 S -","- C52.999 H59 B2 Cl4 F2.997 N4 O2.997 S0.999 -","- C211.996 H236 B8 Cl16 F11.988 N16 O11.988 S3.996 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.0959","0.0628","","","0.1553","0.1798","","","","","","1.019","","","","has coordinates,has disorder","200809","2020-10-21","18:00:00",""
"1547142","21.931","0.003","12.2382","0.0017","14.94","0.002","90","","108.564","0.004","90","","3801.2","0.9","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H49 B N4 -","- C44 H49 B N4 -","- C176 H196 B4 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1009","0.0601","","","0.1148","0.1323","","","","","","1.009","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547232","13.1123","0.0013","20.584","0.0016","11.26","0.0009","90","","99.391","0.009","90","","2998.4","0.5","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 -","- C36 H40 N4 -","- C144 H160 N16 -","4","1","","Cai, Yuanjing; Gui, Chen; Samedov, Kerim; Su, Huifang; Gu, Xinggui; Li, Shiwu; Luo, Wenwen; Sung, Herman H-Y.; Lam, Jacky Wing Yip; Kwok, Ryan T. K.; Williams, Ian Duncan; Qin, Anjun; Tang, Ben Zhong","An Acidic pH Independent Piperazine-TPE AIEgen as a Unique Bioprobe for Lysosome Tracing","Chem. Sci.","2017","","","","","10.1039/C7SC03515B","","x-ray","0.71073","MoKα","","0.1569","0.0679","","","0.099","0.1222","","","","","","1","","","","has coordinates","201004","2020-10-21","18:00:00",""
"1547233","19.604","0.004","28.079","0.006","32.67","0.007","90","","94.47","0.03","90","","17929","7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H39 N9 O15 Zn3 -","- C60 H39 N9 O15 Zn3 -","- C480 H312 N72 O120 Zn24 -","8","1","","Hou, Hongwei; Yu, Cai-Xia; Shao, Chao Zhi","A functionalized metal-organic framework decorated with O− groups showing excellent performance for lead(II) removal from aqueous solution","Chem. Sci.","2017","","","","","10.1039/C7SC03308G","","","0.71073","MoKα","","0.0847","0.0623","","","0.1772","0.1871","","","","","","1.093","","","","has coordinates,has disorder","201005","2020-10-21","18:00:00",""
"1547266","13.791","0.003","21.838","0.004","14.457","0.003","90","","107.005","0.005","90","","4163.6","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H11 Cl3 N2 Zn -","- C11 H11 Cl3 N2 Zn -","- C132 H132 Cl36 N24 Zn12 -","12","3","","Xing, Xiu-Shuang; Sa, Rongjian; Li, Pei-Xin; Zhang, Ning-Ning; Zhou, Zhong-Yuan; Liu, Bin-Wen; Liu, Jie; Wang, Ming-Sheng; Guo, Guo-Cong","Second-order nonlinear optical switch with the record-high contrast for a photochromic and thermochromic bistable crystal","Chem. Sci.","2017","","","","","10.1039/C7SC01228D","","","0.71073","MoKα","","0.0507","0.0388","","","0.1127","0.141","","","","","","0.984","","","","has coordinates","201093","2020-10-21","18:00:00",""
"1547319","8.3072","0.0007","7.8052","0.001","25.7246","0.0027","90","","97.491","0.004","90","","1653.7","0.3","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","dG(C10)2","3',5'-bis-O-decanoyl-2'-deoxyguanosine","","- C30 H49 N5 O6 -","- C30 H49 N5 O6 -","- C60 H98 N10 O12 -","2","1","","Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris","Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif","Chemical Science","2017","8","","3971","3979","10.1039/c7sc00587c","powder diffraction","x-ray","1.5406","","","","","","","","","0.17052","","1.69","","","","","","","has coordinates","201225","2020-10-21","18:00:00",""
"1547337","14.322","0.0013","15.9818","0.0016","20.0611","0.0016","107.703","0.004","90.106","0.004","110.238","0.004","4074.8","0.7","173","2","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C94 H110 N6 O10 -","- C94 H110 N6 O10 -","- C188 H220 N12 O20 -","2","1","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.2001","0.104","","","0.2151","0.2713","","","","","","1.026","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547338","9.6346","0.0014","10.1658","0.0015","11.207","0.0017","68.379","0.002","82.74","0.002","68.992","0.002","952.6","0.2","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Br4 N4 O8 -","- C36 H42 Br4 N4 O8 -","- C36 H42 Br4 N4 O8 -","1","0.5","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.0438","0.0374","","","0.0995","0.1042","","","","","","1.032","","","","has coordinates","201287","2020-10-21","18:00:00",""
"1547339","12.0595","0.0002","12.5637","0.0003","16.8685","0.0003","74.7825","0.0011","76.6602","0.0012","70.7332","0.0011","2298.72","0.08","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H130 N4 O12 -","- C106 H130 N4 O12 -","- C106 H130 N4 O12 -","1","0.5","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","1.54178","CuKα","","0.0962","0.0584","","","0.1379","0.157","","","","","","1.037","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547340","14.2079","0.0009","18.9576","0.0011","20.1063","0.0013","97.249","0.003","100.114","0.003","108.536","0.003","4957.8","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H124 B2 F8 N4 O9 -","- C109 H124 B2 F8 N4 O9 -","- C218 H248 B4 F16 N8 O18 -","2","1","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.1744","0.1057","","","0.2079","0.2555","","","","","","1.106","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547341","26.221","0.004","26.221","0.004","60.059","0.012","90","","90","","120","","35761","11","134","2","134","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","CLMOP-1c","","- C149.6 H188 Cl6 N8 O47.4 Zr12 -","- C108 H72 Cl6 O40 Zr12 -","- C648 H432 Cl36 O240 Zr72 -","6","0.166667","","Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung","Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC03847J","","","0.66","Synchrotron","","0.1439","0.0787","","","0.2562","0.2949","","","","","","0.874","","","","has coordinates","201288","2020-10-21","18:00:00",""
"1547342","36.748","0.004","36.748","0.004","36.748","0.004","90","","90","","90","","49625","9","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","UMOP-1-NH2","","- C116 H126 Cl6 N8 O40 Zr12 -","- C108 H84 Cl6 N6 O40 Zr12 -","- C864 H672 Cl48 N48 O320 Zr96 -","8","0.0416667","","Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung","Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC03847J","","","0.70001","synchrotron","","0.0968","0.0758","","","0.2723","0.3085","","","","","","1.214","","","","has coordinates","201288","2020-10-21","18:00:00",""
"1547343","15.8084","0.0009","15.8084","0.0009","24.853","0.003","90","","90","","90","","6210.9","0.9","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H112 As8 Ga Na5 O68 Pd12 -","- C48 H40 As8 Ga O52 Pd12 -","- C96 H80 As16 Ga2 O104 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0665","0.0547","","","0.171","0.1953","","","","","","1.036","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547344","15.8839","0.0006","15.8839","0.0006","25.1431","0.0019","90","","90","","90","","6343.6","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H102 As8 La Na5 O63 Pd12 -","- C48 H40 As8 La O48 Pd12 -","- C96 H80 As16 La2 O96 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0639","0.056","","","0.2025","0.2179","","","","","","1.086","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547345","13.0985","0.0009","16.2291","0.0012","22.9839","0.0014","103.266","0.003","92.094","0.003","97.633","0.004","4701.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H122 As6 La Na3 O73 Pd12 -","- C84 H78 As12 La2 Na5.5 O85.5 Pd24 -","- C84 H78 As12 La2 Na5.5 O85.5 Pd24 -","1","0.5","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.1092","0.0845","","","0.2376","0.2626","","","","","","1.081","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547346","15.7992","0.0006","15.7992","0.0006","24.954","0.002","90","","90","","90","","6228.9","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H100 As8 In Na5 O62 Pd12 -","- C48 H40 As8 In O50 Pd12 -","- C96 H80 As16 In2 O100 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0647","0.0552","","","0.196","0.2143","","","","","","1.012","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547365","11.2916","0.0013","12.501","0.0013","23.9203","0.0016","88.359","0.008","86.588","0.008","76.689","0.01","3279.6","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 N6 O10 S2 -","- C64 H96 N6 O10 S2 -","- C128 H192 N12 O20 S4 -","2","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","","1.54184","CuKα","","0.2097","0.1405","","","0.3336","0.3767","","","","","","1.46","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547366","13.8269","0.0016","14.5451","0.0015","16.5512","0.0016","90","","103.927","0.011","90","","3230.8","0.6","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 N4 O4 S2 -","- C31 H48 N4 O4 S2 -","- C124 H192 N16 O16 S8 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","x-ray","1.54184","CuKα","","0.0592","0.0463","","","0.1209","0.1308","","","","","","1.036","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547367","13.1121","0.0018","16.3159","0.0014","13.6871","0.0016","90","","90.027","0.011","90","","2928.2","0.6","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 N3 O5 S -","- C28 H49 N3 O5 S -","- C112 H196 N12 O20 S4 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","x-ray","1.54184","CuKα","","0.0657","0.0504","","","0.1336","0.1479","","","","","","1.037","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547368","12.706","0.003","13.689","0.004","19.969","0.004","90","","107.12","0.03","90","","3319.4","1.5","100","0.4","100","0.4","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H50 N4 O4.5 S2 -","- C32 H50 N4 O4.5 S2 -","- C128 H200 N16 O18 S8 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","","1.54184","CuKα","","0.1212","0.0673","","","0.1267","0.161","","","","","","0.933","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547369","13.6872","0.0016","22.135","0.003","24.856","0.003","90","","94.046","0.004","90","","7511.8","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C170 H155.5 N18 O3 -","- C170 H155.5 N18 O3 -","- C340 H311 N36 O6 -","2","1","","Galan, Albano; Escudero, Eduardo Carmelo; Ballester, Pablo","Template-directed self-assembly of dynamic covalent capsules with polar interiors","Chem. Sci.","2017","","","","","10.1039/C7SC03731G","","","0.71073","MoKα","","0.2986","0.1397","","","0.2872","0.3541","","","","","","1.328","","","","has coordinates,has disorder","201329","2020-10-21","18:00:00",""
"1547403","12.463","0.002","13.493","0.003","15.328","0.003","64.971","0.005","73.14","0.005","82.198","0.006","2234.9","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 Br2 S4 -","- C44 H58 Br2 S4 -","- C88 H116 Br4 S8 -","2","1","","Mayorga Burrezo, Paula; Domínguez, Rocío; Zafra, José L.; Pappenfus, Ted M.; de la Cruz, Pilar; Welte, Lorena; Janzen, Daron Edward; lopez navarrete, juan teodomiro; Langa, Fernando; Casado Cordón, Juan","Oligomers of Cyclopentadithiophene-Vinylene in Aromatic and Quinoidal Versions and Redox Species with Intermediate Forms","Chem. Sci.","2017","","","","","10.1039/C7SC02756G","","","0.71075","MoKα","","0.0892","0.0543","","","0.1248","0.1433","","","","","","1.028","","","","has coordinates,has disorder","201392","2020-10-21","18:00:00",""
"1547404","11.389","0.0006","34.79","0.002","14.0047","0.0008","90","","92.144","0.003","90","","5545.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H90 Ce Li N6 O9 Si6 -","- C36 H90 Ce Li N6 O9 Si6 -","- C144 H360 Ce4 Li4 N24 O36 Si24 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.0481","0.0391","","","0.0768","0.0796","","","","","","1.107","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547405","15.06","0.002","15.339","0.003","25.158","0.004","89.555","0.005","89.167","0.005","84.713","0.005","5786.2","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.25 H86 Ce1.5 Li N5 O8.25 Si6 -","- C38.25 H77 Ce1.5 Li N5 O8.25 Si6 -","- C153 H308 Ce6 Li4 N20 O33 Si24 -","4","2","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.1612","0.0737","","","0.1449","0.1814","","","","","","0.99","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547406","16.2803","0.0014","15.8306","0.0016","22.128","0.002","90","","109.57","0.005","90","","5373.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H90 Ce Li N5 O7 Si6 -","- C36 H90 Ce Li N5 O7 Si6 -","- C144 H360 Ce4 Li4 N20 O28 Si24 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.1773","0.078","","","0.1493","0.1866","","","","","","0.981","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547407","19.3389","0.0007","15.0467","0.0005","21.7679","0.0008","90","","107.901","0.002","90","","6027.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H99 Ce Li N5 O7 Si7 -","- C39 H99 Ce Li N5 O7 Si7 -","- C156 H396 Ce4 Li4 N20 O28 Si28 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.0736","0.0469","","","0.1176","0.1312","","","","","","1.076","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547473","16.0174","0.0007","10.8674","0.0005","20.309","0.0009","90","","104.291","0.003","90","","3425.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N3 O4 Ru -","- C37 H51 N3 O4 Ru -","- C148 H204 N12 O16 Ru4 -","4","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.084","0.0433","","","0.0798","0.0897","","","","","","1.195","","","","has coordinates,has disorder","201503","2020-10-21","18:00:00",""
"1547474","10.8243","0.0008","11.4812","0.001","15.4419","0.0013","74.516","0.003","85.839","0.003","64.889","0.003","1672.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 N3 O4 Ru -","- C37 H49 N3 O4 Ru -","- C74 H98 N6 O8 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0995","0.0466","","","0.0709","0.0822","","","","","","0.744","","","","has coordinates","201504","2020-10-21","18:00:00",""
"1547475","10.8191","0.0009","11.4795","0.001","15.4551","0.0013","74.51","0.003","85.583","0.003","64.732","0.003","1671.3","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 N3 O4 Ru -","- C37 H49 N3 O4 Ru -","- C74 H98 N6 O8 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0772","0.0538","","","0.1048","0.1106","","","","","","1.871","","","","has coordinates","201505","2020-10-21","18:00:00",""
"1547476","10.5222","0.0008","19.595","0.0015","15.8493","0.0012","90","","99.34","0.002","90","","3224.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 N3 O4 Ru -","- C35 H47 N3 O4 Ru -","- C140 H188 N12 O16 Ru4 -","4","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0653","0.0362","","","0.0705","0.0782","","","","","","1.159","","","","has coordinates,has disorder","201506","2020-10-21","18:00:00",""
"1547477","10.5807","0.0005","11.4363","0.0006","18.2848","0.0009","77.754","0.002","78.1","0.002","63.815","0.002","1924.23","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 N3 O5 Ru -","- C41 H61 N3 O5 Ru -","- C82 H122 N6 O10 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0642","0.0377","","","0.0731","0.0802","","","","","","1.151","","","","has coordinates","201507","2020-10-21","18:00:00",""
"1547493","10.0626","0.0008","10.0626","0.0008","10.0626","0.0008","90","","90","","90","","1018.9","0.14","90","2","90","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Cu14 Ge6 P26 -","- Ba8 Cu13.988 Ge6.008 P25.998 -","- Ba8 Cu13.988 Ge6.008 P25.998 -","1","0.0208333","","Wang, Jian; Lebedev, Oleg I.; Lee, Kathleen; Dolyniuk, Juli-Anna; Klavins, Peter; Bux, Sabah K.; Kovnir, Kirill","High-efficiency Thermoelectric Ba8Cu14Ge6P26: Bridging the gap between tetrel-based and tetrel-free clathrates","Chem. Sci.","2017","","","","","10.1039/C7SC03482B","","","0.71073","MoKα","","0.0189","0.0164","","","0.0309","0.0317","","","","","","1.149","","","","has coordinates","201539","2020-10-21","18:00:00",""
"1547516","20.025","0.004","19.663","0.004","24.499","0.005","90","","90","","90","","9647","3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Dy Fe2 N4 Si4 -","- C44 H76 Dy Fe2 N4 Si4 -","- C352 H608 Dy8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.065","0.0376","","","0.0753","0.0947","","","","","","1.125","","","","has coordinates,has disorder","201572","2020-10-21","18:00:00",""
"1547517","19.7942","0.0016","19.8223","0.0016","24.603","0.002","90","","90","","90","","9653.4","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Er Fe2 N4 Si4 -","- C44 H76 Er Fe2 N4 Si4 -","- C352 H608 Er8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.1587","0.0742","","","0.1491","0.1847","","","","","","0.924","","","","has coordinates","201572","2020-10-21","18:00:00",""
"1547531","20.1746","0.0012","20.4429","0.0012","34.225","0.002","87.8191","0.0017","73.8816","0.0016","72.2845","0.0016","12900.8","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","2","","- C262 H348 Ag8 Cl12 Cu8 -","- C262 H348 Ag8 Cl12 Cu8 -","- C524 H696 Ag16 Cl24 Cu16 -","2","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.0846","0.0803","","","0.2342","0.24","","","","","","1.047","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547532","20.2863","0.0014","25.3095","0.0017","30.667","0.002","88.693","0.001","83.335","0.001","77.746","0.001","15282.8","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","4","","- C328 H396 Ag4 Au8 Cl12 Cu4 -","- C328 H396 Ag4 Au8 Cl12 Cu4 -","- C656 H792 Ag8 Au16 Cl24 Cu8 -","2","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1018","0.0896","","","0.2441","0.2564","","","","","","1.016","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547533","80.2","0.004","18.8497","0.001","51.113","0.003","90","","128.112","0.002","90","","60796","6","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C6-FluoAuAgCu","","- C324 H396 Ag2.88 Au6 Cu3.12 -","- C324 H396 Ag2.8757 Au6 Cu3.1243 -","- C2592 H3168 Ag23.0056 Au48 Cu24.9944 -","8","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1145","0.0827","","","0.1936","0.2263","","","","","","1.056","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547534","80.362","0.003","18.8467","0.0008","51.284","0.002","90","","128.299","0.0014","90","","60956","4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","C6_FLuoAuAg","","- C162 H198 Ag3 Au3 -","- C162 H198 Ag3 Au3 -","- C2592 H3168 Ag48 Au48 -","16","2","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.34139","GaKα","","0.1568","0.1051","","","0.2022","0.232","","","","","","1.144","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547535","79.645","0.003","18.8256","0.0008","50.821","0.002","90","","127.383","0.002","90","","60548","4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","C6_FLuoAuCu","","- C162 H198 Au3 Cu3 -","- C162 H198 Au3 Cu3 -","- C2592 H3168 Au48 Cu48 -","16","2","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1252","0.0888","","","0.1708","0.198","","","","","","1.045","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547536","24.72","0.0011","30.9053","0.0014","52.473","0.002","90","","90","","90","","40088","3","220","","220.02","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","3","","- C192 H252 Au6 Cu6 -","- C192 H252 Au6 Cu6 -","- C1536 H2016 Au48 Cu48 -","8","","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","0.71073","MoKα","","0.1086","0.0663","","","0.1793","0.2274","","","","","","1.054","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547537","28.818","0.003","12.9632","0.0013","25.496","0.003","90","","117.086","0.003","90","","8480","1.6","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tBuAuAg51","","- C72 H108 Ag1.8 Au10.2 -","- C72 H108 Ag1.8068 Au10.1932 -","- C288 H432 Ag7.2272 Au40.7728 -","4","0.5","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.0886","0.0866","","","0.2404","0.2438","","","","","","1.048","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547538","5.8614","0.001","27.535","0.005","5.9676","0.001","90","","119.351","0.002","90","","839.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H9 N O S -","- C9 H9 N O S -","- C36 H36 N4 O4 S4 -","4","2","","Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B.","A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC04083K","","","1.54178","CuKα","","0.05","0.05","","","0.1283","0.1283","","","","","","1.085","","","","has coordinates","201669","2020-10-21","18:00:00",""
"1547539","16.354","0.006","5.37","0.002","17.896","0.007","90","","92.655","0.008","90","","1570","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 S2 -","- C15 H16 N2 O2 S2 -","- C60 H64 N8 O8 S8 -","4","1","","Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B.","A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC04083K","","","0.71073","MoKα","","0.101","0.0616","","","0.1407","0.1608","","","","","","0.998","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1547617","12.6212","0.0019","16.587","0.002","27.567","0.004","90","","95.009","0.003","90","","5749.1","1.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H118 Cl12 N8 Ni2 P2 -","- C132 H118 Cl12 N8 Ni2 P2 -","- C264 H236 Cl24 N16 Ni4 P4 -","2","0.5","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0835","0.0723","","","0.2098","0.2218","","","","","","1.079","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547618","12.9016","0.0019","16.642","0.002","28.249","0.005","90","","95.324","0.006","90","","6039.1","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 N4 Ni P S2 -","- C74 H69 N4 Ni P S2 -","- C296 H276 N16 Ni4 P4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0606","0.0553","","","0.1562","0.1609","","","","","","1.01","","","","has coordinates","201841","2020-10-21","18:00:00",""
"1547619","14.5544","0.0007","16.058","0.0005","19.2527","0.0017","80.162","0.001","86.521","0.012","67.319","0.008","4090.5","0.5","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H57 Cl20 N4 Ni O5 P S2 -","- C73 H57 Cl20 N4 Ni O5 P S2 -","- C146 H114 Cl40 N8 Ni2 O10 P2 S4 -","2","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0474","0.0422","","","0.1225","0.125","","","","","","1.007","","","","has coordinates","201841","2020-10-21","18:00:00",""
"1547620","14.07","0.003","15.707","0.003","18.17","0.003","96.635","0.003","103.033","0.007","104.706","0.002","3719.8","1.2","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C71.65 H57 Cl14.59 N4 Ni O P S2 -","- C71.641 H57 Cl14.564 N4 Ni O P S2 -","- C143.282 H114 Cl29.128 N8 Ni2 O2 P2 S4 -","2","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0847","0.0674","","","0.1875","0.1989","","","","","","1.05","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547621","17.046","0.002","11.8202","0.0017","31.451","0.005","90","","97.756","0.004","90","","6279","1.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H69 N4 Ni O2 P -","- C80 H69 N4 Ni O2 P -","- C320 H276 N16 Ni4 O8 P4 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.091","0.0768","","","0.1947","0.2023","","","","","","1.085","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547622","13.476","0.003","18.301","0.003","25.301","0.005","90","","103.474","0.006","90","","6068","2","93","2","93","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C65 H60 Cl4 N5 O P Pd S2 -","- C65 H60 Cl4 N5 O P Pd S2 -","- C260 H240 Cl16 N20 O4 P4 Pd4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0696","0.0613","","","0.1726","0.1789","","","","","","1.037","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547623","15.0591","0.0017","27.873","0.003","18.771","0.002","90","","101.374","0.003","90","","7724.2","1.5","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C85.77 H73.77 Cl3 N6 Ni O7.59 P S2 -","- C85.774 H73.773 Cl3.001 N6 Ni O7.591 P S2 -","- C343.096 H295.092 Cl12.004 N24 Ni4 O30.364 P4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0941","0.0809","","","0.2261","0.2385","","","","","","1.067","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547624","15.25","0.002","23.282","0.003","18.497","0.003","90","","104.562","0.004","90","","6356.4","1.6","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H58.89 Cl6 N4 Ni O3 P -","- C69.9994 H58.8864 Cl5.9982 N4 Ni O3 P -","- C279.998 H235.546 Cl23.9928 N16 Ni4 O12 P4 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0836","0.0687","","","0.1992","0.2087","","","","","","1.087","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547625","41.875","0.009","12.116","0.002","33.342","0.007","90","","127.805","0.004","90","","13366","5","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 N6 Ni O P S2 -","- C75 H72 N6 Ni O P S2 -","- C600 H576 N48 Ni8 O8 P8 S16 -","8","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0494","0.0435","","","0.1173","0.121","","","","","","1.024","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547626","28.316","0.005","16.521","0.002","32.462","0.006","90","","109.086","0.005","90","","14351","4","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H68 N4 Ni O5.5 P S2 -","- C73 H68 N4 Ni O5.5 P S2 -","- C584 H544 N32 Ni8 O44 P8 S16 -","8","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.076","0.0634","","","0.1986","0.2087","","","","","","1.025","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547627","4.7617","0.0003","31.515","0.003","13.2597","0.001","90","","92.153","0.003","90","","1988.4","0.3","122.15","","122.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F12 N3 S -","- C18 H9 F12 N3 S -","- C72 H36 F48 N12 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0722","0.0531","","","0.1135","0.1207","","","","","","1.069","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547628","12.2715","0.0014","8.4441","0.001","16.4877","0.0019","90","","93.794","0.004","90","","1704.7","0.3","122","2","122","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N4 O2 S -","- C16 H10 F6 N4 O2 S -","- C64 H40 F24 N16 O8 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0736","0.0575","","","0.1435","0.1555","","","","","","1.031","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547629","8.8724","0.0004","9.8446","0.0005","12.3483","0.0006","89.81","0.002","71.081","0.002","68.037","0.002","937.66","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H9 F6 N5 O4 S -","- C16 H9 F6 N5 O4 S -","- C32 H18 F12 N10 O8 S2 -","2","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0523","0.0403","","","0.1029","0.1115","","","","","","1.035","","","","has coordinates,has disorder","201842","2020-10-21","18:00:00",""
"1547630","12.2731","0.0016","9.2592","0.0014","16.18","0.003","90","","91.897","0.005","90","","1837.7","0.5","100","30","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F6 N3 O2 S -","- C18 H13 F6 N3 O2 S -","- C72 H52 F24 N12 O8 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0447","0.0366","","","0.0862","0.0907","","","","","","1.04","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547631","9.0667","0.0003","9.6985","0.0004","10.1017","0.0003","111.13","0.003","93.15","0.003","108.191","0.003","772.96","0.05","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","1","0.5","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.022","0.0201","","","0.0503","0.0514","","","","","","1.079","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547632","13.094","0.004","14.447","0.005","16.046","0.005","90","","92.715","0.007","90","","3032","1.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Br2 P2 Pd2 -","- C24 H54 Br2 P2 Pd2 -","- C96 H216 Br8 P8 Pd8 -","4","1","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","","0.5608","AgKα","","0.0792","0.05","","","0.1266","0.1468","","","","","","1.037","","","","has coordinates,has disorder","201843","2020-10-21","18:00:00",""
"1547633","12.7069","0.0004","34.9448","0.0009","14.1937","0.0006","90","","116.366","0.005","90","","5646.9","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H55 Br P2 Pd -","- C24 H55 Br P2 Pd -","- C192 H440 Br8 P16 Pd8 -","8","1","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0333","0.0249","","","0.0523","0.0556","","","","","","1.03","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547634","12.1372","0.0002","16.2799","0.0002","16.5783","0.0003","90","","110.126","0.002","90","","3075.72","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H110 N4 P4 Pd3 -","- C52 H110 N4 P4 Pd3 -","- C104 H220 N8 P8 Pd6 -","2","0.5","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0329","0.0266","","","0.0579","0.0608","","","","","","1.069","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547635","12.6035","0.0003","17.2591","0.0004","25.6455","0.0005","90.2601","0.0018","90.0672","0.0018","90.8113","0.0019","5577.9","0.2","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C25 H54 N P2 Pd -","- C25 H54 N P2 Pd -","- C200 H432 N8 P16 Pd8 -","8","4","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0842","0.0601","","","0.1272","0.1373","","","","","","1.117","","","","has coordinates,has disorder","201843","2020-10-21","18:00:00",""
"1547642","6.2851","0.0002","16.6804","0.0005","9.9664","0.0003","90","","96.0995","0.0014","90","","1038.94","0.06","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H28 N2 O5 S -","- C20 H28 N2 O5 S -","- C40 H56 N4 O10 S2 -","2","1","","Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea","The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C‒H bonds","Chem. Sci.","2017","","","","","10.1039/C7SC03876C","","","0.71073","MoKα","","0.0552","0.0421","","","0.0972","0.1051","","","","","","1.016","","","","has coordinates","201869","2020-10-21","18:00:00",""
"1547643","10.6824","0.0005","13.2062","0.0007","11.5423","0.0007","90","","99.843","0.006","90","","1604.35","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 B3 O3 -","- C18 H15 B3 O3 -","- C72 H60 B12 O12 -","4","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0769","0.0534","","","0.1097","0.1243","","","","","","1.028","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547644","16.193","0.004","24.868","0.006","9.919","0.002","90","","94.666","0.004","90","","3981","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 B O3 -","- C9 H13 B O3 -","- C144 H208 B16 O48 -","16","4","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.1239","0.0635","","","0.1558","0.1955","","","","","","0.959","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547645","15.322","0.003","17.902","0.003","9.8089","0.0017","90","","90","","90","","2690.5","0.8","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C6 H7 B O2 -","- C6 H7 B O2 -","- C96 H112 B16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0507","0.034","","","0.0759","0.0844","","","","","","1.027","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547646","11.2586","0.0015","5.0616","0.0007","13.8819","0.0018","90","","111.069","0.002","90","","738.2","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B O3 -","- C7 H9 B O3 -","- C28 H36 B4 O12 -","4","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0379","0.0341","","","0.0886","0.0917","","","","","","1.004","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547647","5.0709","0.0003","7.6864","0.0007","13.7993","0.0011","87.907","0.007","85.499","0.006","74.195","0.007","515.86","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 B O3 -","- C10 H15 B O3 -","- C20 H30 B2 O6 -","2","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","1.54184","CuKα","","0.0489","0.0406","","","0.0981","0.1053","","","","","","1.07","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547648","19.815","0.0004","5.02009","0.00008","18.2337","0.0004","90","","111.493","0.002","90","","1687.64","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H11 B O3 -","- C8 H11 B O3 -","- C64 H88 B8 O24 -","8","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.0338","0.0328","","","0.0868","0.0877","","","","","","1.045","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547649","3.8105","0.0003","20.8028","0.0016","10.3896","0.001","90","","96.843","0.008","90","","817.71","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 B3 F3 O3 -","- C18 H12 B3 F3 O3 -","- C36 H24 B6 F6 O6 -","2","0.5","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0678","0.0498","","","0.1145","0.1308","","","","","","1.078","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547650","5.0668","0.0013","10.184","0.003","13.252","0.003","72.888","0.004","84.617","0.004","75.928","0.004","633.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 B O3 -","- C12 H19 B O3 -","- C24 H38 B2 O6 -","2","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0796","0.0513","","","0.1321","0.1525","","","","","","1.079","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547651","19.531","0.001","18.4544","0.0008","9.7999","0.0008","90","","90","","90","","3532.2","0.4","294.84","0.1","294.84","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H6 B I O2 -","- C6 H6 B I O2 -","- C96 H96 B16 I16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.2134","0.1632","","","0.4235","0.4661","","","","","","1.551","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547652","14.3451","0.0006","5.0353","0.0002","17.3021","0.0006","90","","90.473","0.004","90","","1249.72","0.08","99.8","0.4","99.8","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 B O3 -","- C6 H7 B O3 -","- C48 H56 B8 O24 -","8","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0609","0.0489","","","0.1202","0.1295","","","","","","1.073","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547669","11.6249","0.0009","14.1066","0.0011","14.2931","0.0011","99.86","0.002","104.52","0.003","105.715","0.002","2111.1","0.3","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C22 H43.73 B1.77 Cl4 F7.08 Fe2 N8 Ni2 O4.36 S4 -","- C22 H43.7284 B1.77 Cl4 F7.08 Fe2 N8 Ni2 O4.3642 S4 -","- C44 H87.4568 B3.54 Cl8 F14.16 Fe4 N16 Ni4 O8.7284 S8 -","2","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0651","0.041","","","0.1102","0.1255","","","","","","1.025","","","","has coordinates,has disorder","201960","2020-10-21","18:00:00",""
"1547670","8.5324","0.0011","13.8268","0.0018","13.8581","0.0018","88.197","0.002","72.322","0.002","80.263","0.002","1534.9","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H40 B F4 Fe N6 Ni2 O2 S4 -","- C20 H40 B F4 Fe N6 Ni2 O2 S4 -","- C40 H80 B2 F8 Fe2 N12 Ni4 O4 S8 -","2","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0451","0.0359","","","0.0981","0.105","","","","","","1.038","","","","has coordinates,has disorder","201960","2020-10-21","18:00:00",""
"1547671","12.318","0.008","11.116","0.007","24.241","0.015","90","","90.062","0.007","90","","3319","4","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H21 Cl Fe N4 Ni O2 S2 -","- C10.5 H21 Cl Fe N4 Ni O2 S2 -","- C84 H168 Cl8 Fe8 N32 Ni8 O16 S16 -","8","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0437","0.0314","","","0.0671","0.0708","","","","","","1.085","","","","has coordinates","201960","2020-10-21","18:00:00",""
"1547672","10.4889","0.0017","15.637","0.002","17.361","0.003","90","","90","","90","","2847.5","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C136 H104 Br8 O24 -","8","2","","Paz, Bruno Matos; Li, Yang; Thøgersen, Mathias Kirk; Jørgensen, Karl Anker","Enantioselective synthesis of cyclopenta[b]benzofurans via an organocatalytic intramolecular double cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC03006A","","","0.56086","AgKα","","0.0221","0.0209","","","0.0524","0.0528","","","","","","1.043","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1547679","14.8729","0.0004","11.2262","0.0003","16.491","0.0005","90","","92.964","0.0013","90","","2749.76","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SK-V-211-2 major","","","- C31 H35 N O6 -","- C31 H35 N O6 -","- C124 H140 N4 O24 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0688","0.0519","","","0.1448","0.1581","","","","","","1.042","","","","has coordinates","202039","2020-10-21","18:00:00",""
"1547680","9.3352","0.0007","10.2282","0.0009","11.6109","0.0009","70.977","0.002","69.277","0.003","63.872","0.002","911.65","0.13","121","2","121","2","","","","","","","","4","P -1","-P 1","2","SK-V-116-major","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C44 H46 N2 O4 -","2","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0627","0.0422","","","0.0944","0.1038","","","","","","1.037","","","","has coordinates","202039","2020-10-21","18:00:00",""
"1547681","10.3428","0.0007","16.0861","0.0011","17.3663","0.0012","65.705","0.003","73.172","0.004","89.52","0.004","2500.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SK-V-211-2 minor","","","- C29 H31 N2 O5 -","- C29 H31 N O5 -","- C116 H124 N4 O20 -","4","2","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0813","0.0616","","","0.1663","0.1771","","","","","","1.098","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547682","17.9134","0.0002","11.5319","0.0001","18.2586","0.0002","90","","117.23","0.001","90","","3353.78","0.07","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl3 N4 S2 Se2 -","- C31 H27 Cl3 N4 S2 Se2 -","- C124 H108 Cl12 N16 S8 Se8 -","4","1","","Benz, Sebastian; Mareda, Jiri; Besnard, Céline; Sakai, Naomi; Matile, Stefan","Catalysis with chalcogen bonds: neutral benzodiselenazole scaffolds with high-precision selenium donors of variable strength","Chem. Sci.","2017","","","","","10.1039/C7SC03866F","","x-ray","1.54184","CuKα","","0.0423","0.0395","","","0.1109","0.1146","","","","","","1.039","","","","has coordinates,has disorder","202040","2020-10-21","18:00:00",""
"1547683","24.5149","0.0006","24.5149","0.0006","9.7646","0.0002","90","","90","","120","","5082.1","0.2","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C18 H36 Br7 N12 Pb2 -","- C18 H36 Br7 N12 Pb2 -","- C108 H216 Br42 N72 Pb12 -","6","0.5","","Lin, Haoran; Zhou, Chenkun; Tian, Yu; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Zhou, Yan; Bullock, James; Schanze, Kirk; Ming, Wenmei; Du, Mao Hua; Ma, Biwu","Bulk Assembly of Organic Metal Halide Nanotubes","Chem. Sci.","2017","","","","","10.1039/C7SC03675B","","","0.71073","MoKα","","0.0593","0.0518","","0.0729","0.0698","0.0728","","","","","","1.0634","","","","has coordinates","202041","2020-10-21","18:00:00",""
"1547684","23.112","0.004","23.112","","7.0532","0.0001","90","","90","","120","","3262.8","0.6","100","2","100","2","","","","","","","","3","P 31","P 31","144","","","","- C18 H31.5 O1.12 -","- C18 H31.125 O1.125 -","- C144 H249 O9 -","8","2.66667","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","0.71073","MoKα","","0.1243","0.0958","","","0.2161","0.2294","","","","","","1.086","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547685","6.52639","0.00006","61.44","0.0005","7.08782","0.00006","90","","113.23","0.0004","90","","2611.67","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H53 O2.5 -","- C30 H53 O2.5 -","- C120 H212 O10 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","1.54178","CuKα","","0.068","0.0583","","","0.1389","0.1444","","","","","","1.022","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547686","16.9259","0.0007","8.7979","0.0003","23.0465","0.0009","90","","107.552","0.001","90","","3272.1","0.2","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H55 Br O3 -","- C37 H55 Br O3 -","- C148 H220 Br4 O12 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","0.71073","MoKα","","0.1","0.0534","","","0.0733","0.0835","","","","","","1.008","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547687","18.4576","0.0002","18.4576","","7.4585","0.0001","90","","90","","90","","2540.98","0.04","100","2","100","2","","","","","","","","3","P 42","P 4c","77","Cupacinoxepin","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","1.54178","CuKα","","0.0992","0.0571","","","0.0986","0.1122","","","","","","1.025","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547705","9.9819","0.0002","19.8256","0.0004","20.6783","0.0004","90","","91.212","0.002","90","","4091.26","0.14","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H23 Cl8 Dy N5 Na O5 -","- C39 H23 Cl8 Dy N5 Na O5 -","- C156 H92 Cl32 Dy4 N20 Na4 O20 -","4","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0924","0.0582","","","0.1059","0.1273","","","","","","1.156","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547706","15.8989","0.0016","16.0286","0.0016","19.542","0.002","98.384","0.009","91.201","0.009","118.115","0.01","4322.5","0.9","120","2","120.15","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H58 Cl16 Dy2 K N11 O8 -","- C84 H58 Cl16 Dy2 K N11 O8 -","- C168 H116 Cl32 Dy4 K2 N22 O16 -","2","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.2146","0.0946","","","0.1231","0.1898","","","","","","0.996","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547707","36.1061","0.0011","11.5705","0.0003","22.7831","0.0006","90","","109.429","0.003","90","","8976","0.5","120","2","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl8 Dy N5 O4 -","- C44 H36 Cl8 Dy N5 O4 -","- C352 H288 Cl64 Dy8 N40 O32 -","8","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0364","0.0276","","","0.0527","0.0579","","","","","","1.101","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547730","39.0759","0.0005","39.0759","0.0005","7.99482","0.00013","90","","90","","120","","10572","0.3","93","","93","","","","","","","","","3","P 3","P 3","143","","","","- C27 H24 S6 -","- C27 H24 S6 -","- C486 H432 S108 -","18","6","","Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori","Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials","Chem. Sci.","2017","","","","","10.1039/C7SC03860G","","","1.54187","CuKα","","0.0923","0.0831","","","0.2176","0.2465","","","","","","1.085","","","","has coordinates,has disorder","202140","2020-10-21","18:00:00",""
"1547731","13.7708","0.0011","16.9234","0.0014","17.1467","0.0014","98.334","0.001","113.332","0.001","112.891","0.001","3162.1","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C117 H24 S6 -","- C117 H24 S6 -","- C234 H48 S12 -","2","1","","Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori","Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials","Chem. Sci.","2017","","","","","10.1039/C7SC03860G","","","0.71073","MoKα","","0.0424","0.0381","","","0.0927","0.0958","","","","","","1.014","","","","has coordinates,has disorder","202140","2020-10-21","18:00:00",""
"1547764","21.7439","0.0008","20.2524","0.0004","11.8321","0.0003","90","","90","","90","","5210.5","0.3","150","2","150","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C52 H58 F6 Ir N8 O4 P -","- C52 H58 F6 Ir N8 O4 P -","- C208 H232 F24 Ir4 N32 O16 P4 -","4","0.5","","Venkatesh, V.; Berrocal-Martin, Raul; Wedge, Christopher J.; Romero-Canelón, Isolda; Sanchez-Cano, Carlos; Song, Ji-Inn; Coverdale, James P. C.; Zhang, Pingyu; Clarkson, Guy J.; Habtemariam, Abraha; Magennis, Steven W.; Deeth, Robert J.; Sadler, Peter J.","Mitochondria-targeted spin-labelled luminescent iridium anticancer complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03216A","","x-ray","0.71073","MoKα","","0.1464","0.0626","","","0.1242","0.1537","","","","","","1.029","","","","has coordinates,has disorder","202245","2020-10-21","18:00:00",""
"1547767","10.86","0.001","12.7006","0.0011","14.3671","0.0013","73.501","0.01","72.779","0.011","89.315","0.011","1809.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Aluminumtris(decafluordiphenylamide)","","","- C36 Al F30 N3 -","- C36 Al F30 N3 -","- C72 Al2 F60 N6 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0661","0.0375","","","0.0839","0.0914","","","","","","0.853","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547768","14.4989","0.0014","18.051","0.002","21.909","0.002","84.427","0.013","73.249","0.012","67.033","0.012","5054.7","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H31 Al2 F62 Li N6 -","- C105 H31 Al2 F62 Li N6 -","- C210 H62 Al4 F124 Li2 N12 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1244","0.0538","","","0.1268","0.1483","","","","","","0.793","","","","has coordinates,has disorder","276343","2022-06-28","16:14:41",""
"1547769","7.9908","0.0007","20.611","0.003","22.8236","0.0019","90","","108.292","0.007","90","","3569.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Galliumtris(decafluordiphenylamide)","","","- C36 F30 Ga N3 -","- C36 F30 Ga N3 -","- C144 F120 Ga4 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1886","0.0509","","","0.0984","0.1359","","","","","","0.712","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547770","13.0294","0.0005","26.0373","0.0007","16.8481","0.0006","90","","92.421","0.003","90","","5710.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cesiumtris(decafluordiphenylamide)fluoroaluminate","","","- C57 H24 Al Cs F31 N3 -","- C57 H24 Al Cs F31 N3 -","- C228 H96 Al4 Cs4 F124 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71069","MoKα","","0.0828","0.0601","","","0.1657","0.1779","","","","","","1.097","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547771","11.2887","0.0005","13.9044","0.0007","20.9274","0.0011","98.126","0.002","103.279","0.002","111.821","0.001","2873","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tetraphenylarsoniumtris(decafluordiphenylamide)chlorogallate","","","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","1","0.5","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0664","0.0375","","","0.0853","0.1042","","","","","","1.074","","","","has coordinates,has disorder","276343","2022-06-28","16:14:41",""
"1547772","19.555","0.006","6.165","0.002","10.117","0.003","90","","98.628","0.006","90","","1205.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0778","0.0608","","","0.1477","0.1618","","","","","","1.002","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547773","27.159","0.013","7.49","0.004","9.539","0.005","90","","106.51","0.008","90","","1860.4","1.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0998","0.0735","","","0.2312","0.2723","","","","","","1.08","","","","has coordinates,has disorder","228724","2020-10-21","18:00:00",""
"1547774","8.6745","0.0003","9.6624","0.0004","13.8499","0.0005","86.795","0.003","81.245","0.003","81.324","0.003","1133.55","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H36 Cl O P Pd -","- C21 H36 Cl O P Pd -","- C42 H72 Cl2 O2 P2 Pd2 -","2","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0333","0.0284","","","0.0627","0.0658","","","","","","1.052","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547775","12.295","0.005","5.569","0.002","18.014","0.007","90","","101.033","0.006","90","","1210.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0557","0.0436","","","0.0978","0.1058","","","","","","1.003","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547802","14.2597","0.0012","14.2597","0.0012","17.793","0.002","90","","90","","90","","3618","0.6","100","2","100.1","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C48 H46 Cl2 Eu F12 N8 O6.66 -","- C48 H46 Cl2 Eu F12 N8 O6.6665 -","- C96 H92 Cl4 Eu2 F24 N16 O13.333 -","2","","","Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.","Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging","Chem. Sci.","2017","","","","","10.1039/C7SC03142D","","","0.71073","MoKα","","0.1261","0.0986","","","0.2713","0.2933","","","","","","0.983","","","","has coordinates,has disorder","202364","2020-10-21","18:00:00",""
"1547803","10.8737","0.0014","26.268","0.004","11.667","0.0014","90","","117.775","0.007","90","","2948.5","0.7","100","2","100.1","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C48 H64 Cl3 Eu F12 N8 O11 -","- C48 H64 Cl3 Eu F12 N8 O11 -","- C96 H128 Cl6 Eu2 F24 N16 O22 -","2","0.5","","Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.","Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging","Chem. Sci.","2017","","","","","10.1039/C7SC03142D","","","0.71073","MoKα","","0.0767","0.0671","","","0.148","0.1534","","","","","","1.029","","","","has coordinates,has disorder","202364","2020-10-21","18:00:00",""
"1547804","36.5943","0.0012","36.5943","0.0012","6.7186","0.0002","90","","90","","120","","7791.8","0.4","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Zn2(pc-dobpdc)(DMA)2","","","- C22 H24 N2 O8 Zn2 -","- C22 H24 N2 O8 Zn2 -","- C198 H216 N18 O72 Zn18 -","9","","","Milner, Phillip John; Martell, Jeffrey Daniel; Siegelman, Rebecca; Gygi, David; Weston, Simon; Long, Jeffrey R.","Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc)","Chem. Sci.","2017","","","","","10.1039/C7SC04266C","","","0.7749","synchrotron","","0.0776","0.0595","","","0.1618","0.1712","","","","","","1.066","","","","has coordinates","202365","2020-10-21","18:00:00",""
"1547805","35.5176","0.0009","4.6594","0.0001","23.3989","0.0006","90","","116.089","0.001","90","","3477.76","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19.5 N3 O0.5 -","- C21 H19.5 N3 O0.5 -","- C168 H156 N24 O4 -","8","1","","Li, Wanfang; Boon, Jie Kang; Zhao, Yu","Nickel-catalyzed difunctionalization of allyl moieties using organoboronic acids and halides with divergent regioselectivities.","Chemical science","2018","9","3","600","607","10.1039/c7sc03149a","","","1.54178","CuKα","","0.0583","0.0467","","","0.1159","0.1232","","","","","","1.053","","","","has coordinates","228869","2020-10-21","18:00:00",""
"1547835","8.3146","0.0004","11.1767","0.0005","16.4216","0.0007","90","","90","","90","","1526.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-11-methoxy-7-methyl-1,2,3,5,6,7-hexahydro-4H-benzo[3,4] cyclohepta[1,2-b]benzofuran-4-one","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joyce, Leo A.; Nawrat, Christopher C.; Sherer, Edward C.; Biba, Mirlinda; Brunskill, Andrew; Martin, Gary E.; Cohen, Ryan D.; Davies, Ian W.","Beyond optical rotation: what's left is not always right in total synthesis.","Chemical science","2018","9","2","415","424","10.1039/c7sc04249c","","","1.54178","CuKα","","0.0245","0.0243","","","0.0622","0.0624","","","","","","1.089","","","","has coordinates","228725","2020-10-21","18:00:00",""
"1547836","27.352","0.012","15.144","0.007","13.336","0.006","90","","116.222","0.007","90","","4956","4","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 Co Fe2 N14 O2 -","- C50 H34 Co Fe2 N14 O2 -","- C200 H136 Co4 Fe8 N56 O8 -","4","0.5","","Jiang, Wenjing; Jiao, Chengqi; Meng, Yinshan; Zhao, Liang; Liu, Qiang; Liu, Tao","Switching single chain magnet behavior <i>via</i> photoinduced bidirectional metal-to-metal charge transfer.","Chemical science","2018","9","3","617","622","10.1039/c7sc03401f","","","0.71073","MoKα","","0.0763","0.0496","","","0.1533","0.1695","","","","","","1.07","","","","has coordinates","228872","2020-10-21","18:00:00",""
"1547843","8.3521","0.0017","12.418","0.002","20.681","0.004","90","","97.923","0.004","90","","2124.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F2 N2 O2 -","- C26 H22 F2 N2 O2 -","- C104 H88 F8 N8 O8 -","4","1","","Lv, Zhuang; Wei, Huanjie; Li, Qing; Su, Xianlong; Liu, Shujuan; Zhang, Kenneth Yin; Lv, Wen; Zhao, Qiang; Li, Xianghong; Huang, Wei","Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(ii) photosensitizer through type I photochemical process.","Chemical science","2018","9","2","502","512","10.1039/c7sc03765a","","","0.71073","MoKα","","0.115","0.0488","","","0.1254","0.1594","","","","","","0.974","","","","has coordinates","228723","2020-10-21","18:00:00",""
"1547871","5.9414","0.0011","15.879","0.003","19.207","0.004","90","","94.096","0.003","90","","1807.4","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O S -","- C19 H24 N4 O S -","- C76 H96 N16 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0791","0.0461","","","0.0991","0.1139","","","","","","1.01","","","","has coordinates","228722","2020-10-21","18:00:00",""
"1547872","16.166","0.004","8.073","0.002","12.176","0.003","90","","99.741","0.004","90","","1566.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C68 H76 N12 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0836","0.0433","","","0.1016","0.1188","","","","","","1.005","","","","has coordinates","228722","2020-10-21","18:00:00",""
"1547877","11.81","0.00016","16.5659","0.0002","18.388","0.0002","90","","92.9627","0.0013","90","","3592.68","0.08","183","7","183","7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Eu F9 O9 S3 -","- C30 H26 Eu F9 O9 S3 -","- C120 H104 Eu4 F36 O36 S12 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.0362","0.0251","","","0.0512","0.0573","","","","","","1.075","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547878","10.5124","0.0003","18.3614","0.0005","18.9788","0.0005","90","","98.264","0.002","90","","3625.29","0.17","180","0.14","180","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F9 O9 S3 Y -","- C30 H26 F9 O9 S3 Y -","- C120 H104 F36 O36 S12 Y4 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.075","0.0441","","","0.0943","0.1078","","","","","","1.035","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547879","13.7492","0.0004","20.1925","0.0003","25.829","0.0006","90","","90.402","0.002","90","","7170.7","0.3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H46 Cl2 Eu F24 N5 O6 -","- C71 H44 Eu F24 N5 O6 -","- C284 H176 Eu4 F96 N20 O24 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.1028","0.0605","","","0.1418","0.1576","","","","","","0.99","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547880","8.38538","0.00015","27.3868","0.0004","18.8875","0.0003","90","","102.271","0.0017","90","","4238.4","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H17 Eu F24 O9 -","- C36 H17 Eu F24 O9 -","- C144 H68 Eu4 F96 O36 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.07","0.0607","","","0.1574","0.1688","","","","","","1.022","","","","has coordinates","228726","2020-10-21","18:00:00",""
"1547881","8.4028","0.0011","11.9498","0.0009","17.1489","0.0017","90","","94.163","0.01","90","","1717.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N2 Ni -","- C19 H19 Br N2 Ni -","- C76 H76 Br4 N8 Ni4 -","4","1","","Jia, Xue-Gong; Guo, Peng; Duan, Jicheng; Shu, Xing-Zhong","Dual nickel and Lewis acid catalysis for cross-electrophile coupling: the allylation of aryl halides with allylic alcohols.","Chemical science","2018","9","3","640","645","10.1039/c7sc03140h","","","0.71073","MoKα","","0.1312","0.0781","","","0.1586","0.1843","","","","","","1.052","","","","has coordinates","228868","2020-10-21","18:00:00",""
"1547882","8.7005","0.0008","10.2416","0.001","11.4433","0.0009","76.304","0.003","83.414","0.003","75.816","0.003","958.74","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0785","0.0481","","","0.0998","0.112","","","","","","1.049","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547883","5.9171","0.0004","24.525","0.002","13.126","0.001","90","","95.432","0.002","90","","1896.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.075","0.0502","","","0.1055","0.1143","","","","","","1.022","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547884","10.5469","0.0018","20.177","0.003","10.7298","0.0017","90","","114.01","0.004","90","","2085.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0895","0.0521","","","0.1411","0.1638","","","","","","1.02","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547885","23.476","0.003","10.1603","0.0016","18.561","0.003","90","","118.836","0.005","90","","3878.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C192 H168 N8 O32 -","8","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0744","0.0538","","","0.1263","0.1369","","","","","","1.035","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547942","10.5132","0.0001","9.6837","0.0001","10.8056","0.0001","90","","93.347","0.001","90","","1098.21","0.019","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0505","0.0499","","","0.1275","0.1285","","","","","","1.025","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547943","6.6941","0.0002","8.926","0.0004","18.2322","0.0006","90","","92.895","0.003","90","","1088.01","0.07","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0692","0.0686","","","0.1811","0.1827","","","","","","1.082","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547944","12.3416","0.0003","17.221","0.0005","16.8272","0.0005","90","","95.88","0.003","90","","3557.55","0.17","293.2","0.1","293.2","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C152 H128 Cl8 N8 O32 -","8","2","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0683","0.0623","","","0.169","0.1806","","","","","","1.017","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1548021","11.91","0.003","12.221","0.003","15.587","0.004","69.947","0.003","81.802","0.003","66.513","0.003","1954.6","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","W2Co3-1D","","","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","1","0.5","","Zhang, Yuan-Zhu; Dolinar, Brian S.; Liu, Shihao; Brown, Andrew J.; Zhang, Xuan; Wang, Zhao-Xi; Dunbar, Kim R.","Enforcing Ising-like magnetic anisotropy <i>via</i> trigonal distortion in the design of a W(v)-Co(ii) cyanide single-chain magnet.","Chemical science","2018","9","1","119","124","10.1039/c7sc02925j","","","0.71073","MoKα","","0.0532","0.0394","","","0.0793","0.086","","","","","","1.03","","","","has coordinates","228671","2020-10-21","18:00:00",""
"1548053","8.2997","0.0003","33.2041","0.0004","12.4646","0.0011","90","","90","","90","","3435","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N -","- C26 H17 N -","- C208 H136 N8 -","8","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0368","0.0336","","","0.1049","0.1091","","","","","","0.929","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548054","7.379","0.006","22.716","0.016","9.381","0.007","90","","111.14","0.02","90","","1466.6","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","0.71073","MoKα","","0.1219","0.1217","","","0.3147","0.3149","","","","","","1.838","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548055","8.5137","0.0002","21.963","0.0006","9.8776","0.0003","90","","104.406","0.0017","90","","1788.9","0.09","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0403","0.036","","","0.1242","0.1303","","","","","","1.12","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548056","7.3384","0.0002","18.5774","0.0006","13.3299","0.0004","90","","90.1024","0.0018","90","","1817.24","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","2","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.08","0.0628","","","0.1697","0.2075","","","","","","1.451","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548064","11.0994","0.0004","8.5265","0.0003","21.7146","0.0008","90","","97.392","0.003","90","","2037.97","0.13","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Fe O3 -","- C27 H24 Fe O3 -","- C108 H96 Fe4 O12 -","4","1","","Wang, Yong; Dansette, Patrick M.; Pigeon, Pascal; Top, Siden; McGlinchey, Michael J.; Mansuy, Daniel; Jaouen, Gérard","A new generation of ferrociphenols leads to a great diversity of reactive metabolites, and exhibits remarkable antiproliferative properties.","Chemical science","2018","9","1","70","78","10.1039/c7sc04213b","","","1.54178","CuKα","","0.0488","0.045","","","0.1183","0.1217","","","","","","1.068","","","","has coordinates","228673","2020-10-21","18:00:00",""
"1548110","17.7719","0.0016","8.1203","0.0007","19.0328","0.0019","90","","110.633","0.011","90","","2570.5","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Allyl-3-(allylsulfinyl)-1H-indole","","- C14 H15 N O S -","- C14 H15 N O S -","- C112 H120 N8 O8 S8 -","8","2","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.1032","0.0532","","","0.0889","0.1068","","","","","","1.037","","","","has coordinates","228873","2020-10-21","18:00:00",""
"1548111","8.2973","0.0005","9.132","0.0006","9.7066","0.0005","104.937","0.005","100.291","0.005","100.461","0.005","678.86","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2-Allyl-3-(allylsulfinyl)-1-methyl-1H-indole","","- C15 H17 N O S -","- C15 H17 N O S -","- C30 H34 N2 O2 S2 -","2","1","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.0455","0.0366","","","0.089","0.0942","","","","","","1.053","","","","has coordinates","228873","2020-10-21","18:00:00",""
"1548134","12.284","0.004","15.243","0.005","17.55","0.007","100.641","0.004","102.198","0.005","98.202","0.006","3099.8","1.9","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","1","0.5","","Wang, Chen; Tian, Li; Zhu, Wei; Wang, Shiqiang; Gao, Ning; Zhou, Kang; Yin, Xianpeng; Zhang, Wanlin; Zhao, Liang; Li, Guangtao","Molecular cage-bridged plasmonic structures with well-defined nanogaps as well as the capability of reversible and selective guest trapping.","Chemical science","2018","9","4","889","895","10.1039/c7sc03536e","","","0.71073","MoKα","","0.1099","0.0984","","","0.2755","0.2873","","","","","","1.138","","","","has coordinates,has disorder","228718","2020-10-21","18:00:00",""
"1548135","16.144","0.004","12.088","0.003","24.02","0.006","90","","93.228","0.005","90","","4680","2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Tp(Pr)MoO(OPh)(mu-S)Cu(Me3TACN)]","","","- C35 H57 B Cu Mo N10 O2 S -","- C35 H57 B Cu Mo N10 O2 S -","- C140 H228 B4 Cu4 Mo4 N40 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.1864","0.0814","","","0.1789","0.2075","","","","","","0.819","","","","has coordinates,has disorder","203402","2020-10-21","18:00:00",""
"1548136","11.6337","0.0018","27.995","0.004","14.248","0.002","90","","106.27","0.004","90","","4454.5","1.1","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Tp(Pr)MoO(OC6H4-2-tBu)(mu-S)Cu(Me3TACN)]","","","- C39 H65 B Cu Mo N10 O2 S -","- C39 H65 B Cu Mo N10 O2 S -","- C156 H260 B4 Cu4 Mo4 N40 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.193","0.0686","","","0.0934","0.1229","","","","","","0.74","","","","has coordinates","203402","2020-10-21","18:00:00",""
"1548137","16.5","0.016","27.26","0.03","13.249","0.014","90","","90","","90","","5959","11","130","2","130","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Tp(Pr)MoO(OC6H4-4-Ph)(mu-S)Cu(Me3TACN)]","","","- C43 H64 B Cu Mo N11 O2 S -","- C43 H64 B Cu Mo N11 O2 S -","- C172 H256 B4 Cu4 Mo4 N44 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.087","0.0395","","","0.0594","0.0642","","","","","","0.685","","","","has coordinates","203402","2020-10-21","18:00:00",""
"1548138","22.477","0.003","11.9547","0.0018","39.141","0.007","90","","92.546","0.009","90","","10507","3","130","0.2","130","0.2","","","","","","","","8","i_1_2/c_1","-I 2yc","15","[Tp(Pr)MoO(OC6H4-2-sBu)(mu-S)Cu(Me3TACN)]","","","- C39 H65 B Cu Mo N10 O2 S -","- C39 H65 B Cu Mo N10 O2 S -","- C312 H520 B8 Cu8 Mo8 N80 O16 S8 -","8","","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.1858","0.0744","","","0.1477","0.1865","","","","","","0.845","","","","has coordinates,has disorder","203402","2020-10-21","18:00:00",""
"1548141","10.207","0.0004","10.6944","0.0004","18.5996","0.0006","94.043","0.003","102.847","0.003","97.904","0.003","1949.89","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 Br10 N8 Sn -","- C16 H56 Br10 N8 Sn -","- C32 H112 Br20 N16 Sn2 -","2","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0651","0.0441","","0.0511","0.0479","0.0511","","","","","","0.9933","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548142","8.75618","0.00018","27.2439","0.0005","10.64297","0.00018","90","","97.3536","0.0017","90","","2518.02","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl5 N2 Sb -","- C18 H40 Cl5 N2 Sb -","- C72 H160 Cl20 N8 Sb4 -","4","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0418","0.0371","","0.0542","0.0529","0.0542","","","","","","0.9984","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548143","10.7464","0.0007","10.8924","0.0007","11.1796","0.0007","64.2658","0.0007","80.1825","0.0007","72.8331","0.0007","1124.94","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","1","0.5","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0178","0.0155","","","0.0341","0.0349","","","","","","1.078","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548144","13.1579","0.0002","37.8588","0.0007","30.9277","0.0005","90","","96.192","0.002","90","","15316.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C247.73 H123.18 N2 -","- C247.727 H123.18 N2 -","- C990.908 H492.72 N8 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1362","0.109","","","0.3079","0.3338","","","","","","1.085","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548145","17.0175","0.0008","28.9186","0.0013","22.7929","0.001","90","","100.484","0.001","90","","11029.6","0.9","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C160 H94 N2 -","- C160 H94 N2 -","- C640 H376 N8 -","4","2","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1356","0.0969","","","0.2411","0.2627","","","","","","1.077","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548236","12.7541","0.0005","13.5008","0.0006","13.6961","0.0006","94.892","0.004","105.455","0.004","113.791","0.004","2029.61","0.18","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 Cl3 O9 -","- C39 H53 Cl3 O9 -","- C78 H106 Cl6 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0995","0.0914","","","0.2714","0.2842","","","","","","1.04","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548237","10.6706","0.001","13.8828","0.0012","14.1078","0.0013","70.567","0.003","84.605","0.003","69.424","0.003","1844.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H54 O9 -","- C39 H54 O9 -","- C78 H108 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","0.71073","MoKα","","0.0904","0.0509","","","0.1095","0.1273","","","","","","1.015","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548238","11.541","0.0002","16.4653","0.0003","32.9338","0.0005","90","","95.72","0.001","90","","6227.12","0.18","100.01","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H44 O6 -","- C34 H44 O6 -","- C272 H352 O48 -","8","4","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54184","CuKα","","0.0732","0.0714","","","0.1899","0.1914","","","","","","1.061","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548239","6.3828","0.0001","14.8993","0.0001","32.605","0.0002","90","","90","","90","","3100.71","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H45 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54178","CuKα","","0.0283","0.0278","","","0.0723","0.0727","","","","","","1.044","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548240","12.4836","0.0002","12.5791","0.0002","20.1204","0.0003","90","","90","","90","","3159.56","0.09","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 O7 -","- C34 H46 O7 -","- C136 H184 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0464","0.0456","","","0.1213","0.1222","","","","","","1.043","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548241","6.8237","0.0004","9.6779","0.0006","23.209","0.0013","90","","90","","90","","1532.7","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-((S)-2,2-dimethyl-1-(pyridin-2-yl)propyl)-2-((S)-tetrahydrofuran-2-yl)acetamide","","- C16 H23 N2 O2 -","- C16 H23 N2 O2 -","- C64 H92 N8 O8 -","4","1","","Kim, Yechan; Kim, Seoung-Tae; Kang, Dahye; Sohn, Te-Ik; Jang, Eunyoung; Baik, Mu-Hyun; Hong, Sungwoo","Stereoselective construction of sterically hindered oxaspirocycles <i>via</i> chiral bidentate directing group-mediated C(sp<sup>3</sup>)-O bond formation.","Chemical science","2018","9","6","1473","1480","10.1039/c7sc04691j","","","0.71073","MoKα","","0.0349","0.0338","","","0.0981","0.0995","","","","","","1.084","","","","has coordinates","228732","2020-10-21","18:00:00",""
"1548292","12.383","0.004","18.49","0.007","19.983","0.007","69.381","0.005","79.742","0.005","88.826","0.005","4209","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C164.05 H143.07 Cu2 F36 N29.98 O2.48 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","1","0.5","","Hayes, Dugan; Kohler, Lars; Hadt, Ryan G.; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L.; Chen, Lin X.","Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.","Chemical science","2018","9","4","860","875","10.1039/c7sc04055e","","","0.71073","MoKα","","0.0773","0.0509","","","0.1236","0.1361","","","","","","1.018","","","","has coordinates,has disorder","228719","2020-10-21","18:00:00",""
"1548293","8.281","0.002","27.653","0.007","23.173","0.006","90","","91.817","0.004","90","","5304","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 B3 F20 N4 O2 -","- C53 H45 B3 F20 N4 O2 -","- C212 H180 B12 F80 N16 O8 -","4","1","","Zheng, Junhao; Li, Zhen Hua; Wang, Huadong","Addition of dihydrogen to a borylborenium center.","Chemical science","2018","9","6","1433","1438","10.1039/c7sc04987k","","","0.71073","MoKα","","0.1993","0.0845","","","0.2217","0.3035","","","","","","1.005","","","","has coordinates","228729","2020-10-21","18:00:00",""
"1548345","16.5942","0.0007","8.7199","0.0004","21.4742","0.001","90","","93.516","0.001","90","","3101.5","0.2","123","0.2","123","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N2 O3 S -","- C39 H39 N2 O3 S -","- C156 H156 N8 O12 S4 -","4","1","","Yamamoto, Y.; Murayama, T.; Jiang, J.; Yasui, T.; Shibuya, M.","The vinylogous Catellani reaction: a combined computational and experimental study.","Chemical science","2018","9","5","1191","1199","10.1039/c7sc04265e","","","0.71073","MoKα","","0.0455","0.0371","","","0.094","0.0992","","","","","","1.038","","","","has coordinates,has disorder","228692","2020-10-21","18:00:00",""
"1548346","47.6161","0.0017","31.7486","0.0011","56.289","0.002","90","","111.305","0.0016","90","","79279","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C204 H158 B8 F32 N40 O7 Zn4 -","- C204 H144 B8.02 F32.075 N40 O7 Zn4 -","- C1632 H1152 B64.16 F256.6 N320 O56 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.3793","0.0985","","","0.1935","0.2895","","","","","","0.959","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548347","47.061","0.002","32.0425","0.0014","55.568","0.003","90","","110.406","0.001","90","","78535","6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C206 H163 B3.5 F14 I4.5 N41 O8 Zn4 -","- C206 H147 B3.51 F14.04 I4.5 N41 O8 Zn4 -","- C1648 H1176 B28.08 F112.32 I36 N328 O64 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.2945","0.0885","","","0.219","0.2659","","","","","","0.967","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548380","12.842","0.006","21.083","0.005","25.145","0.005","90","","90","","90","","6808","4","173.15","0.1","173.15","0.1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C58 H48 Ag5 F6 N17 O6 S2 -","- C58 H48 Ag5 F6 N17 O6 S2 -","- C232 H192 Ag20 F24 N68 O24 S8 -","4","0.25","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.1871","0.1818","","","0.3393","0.3422","","","","","","1.098","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548381","14.3867","0.0003","15.4794","0.0003","18.9913","0.0006","101.197","0.002","93.2","0.002","94.368","0.002","4125.97","0.18","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H55 Ag5 F6 N17 O6 S2 -","- C59 H55 Ag5 F6 N17 O6 S2 -","- C118 H110 Ag10 F12 N34 O12 S4 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1007","0.0884","","","0.2452","0.2632","","","","","","1.066","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548382","32.1129","0.0019","12.1233","0.0003","24.0913","0.0016","90","","130.309","0.01","90","","7152.2","1.2","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Ag4 F9 N17 O10 S2 -","- C64 H58 Ag4 F9 N17 O10 S2 -","- C256 H232 Ag16 F36 N68 O40 S8 -","4","0.5","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1026","0.0965","","","0.248","0.2531","","","","","","1.136","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548383","14.8347","0.0003","15.7643","0.0003","18.6915","0.0004","96.459","0.002","93.928","0.002","95.369","0.002","4310.55","0.15","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C147 H136 Ag10 F18 N36 O25 S6 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.0573","0.0534","","","0.1529","0.1578","","","","","","1.021","","","","has coordinates","228733","2020-10-21","18:00:00",""
"1548384","13.189","0.003","13.561","0.003","28.427","0.006","103.51","0.03","90.23","0.03","118.57","0.03","4302","2","173.15","0.1","173.15","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C126 H110 Ag10 Cl9 F24 N34 O26.5 S8 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0868","0.0795","","","0.1949","0.2003","","","","","","1.14","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548385","14.3943","0.0004","31.0527","0.0014","22.6971","0.0008","90","","125.685","0.002","90","","8240.3","0.6","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H57 Ag5 F9 N17 O9 S3 -","- C67 H57 Ag5 F9 N17 O9 S3 -","- C268 H228 Ag20 F36 N68 O36 S12 -","4","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.2674","0.213","","","0.5017","0.5615","","","","","","1.092","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548386","12.278","0.003","25.145","0.005","12.408","0.003","90","0.03","117.31","0.03","90","0.03","3403.7","1.6","173.15","","173.15","","","","","","","","","7","P 1","P 1","1","","","","- C58 H53 Ag5 F6 N17 O6 S2 -","- C58 H53 Ag5 F6 N17 O6 S2 -","- C116 H106 Ag10 F12 N34 O12 S4 -","2","2","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0954","0.0889","","","0.218","0.226","","","","","","1.027","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548387","20.6668","0.001","20.6668","0.001","16.8568","0.0009","90","","90","","90","","7199.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0353","0.0296","","","0.0754","0.0784","","","","","","1.052","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548388","17.794","0.004","19.121","0.004","19.042","0.004","90","","116.941","0.015","90","","5776","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co3(dpa)4(MeCN)2][As2(tart)2] acetonitrile solvate","","","- C56 H48 As2 Co3 N16 O12 -","- C56 H48 As2 Co3 N16 O12 -","- C224 H192 As8 Co12 N64 O48 -","4","0.5","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0324","0.0262","","","0.0662","0.0693","","","","","","1.061","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548389","11.7226","0.0009","21.8073","0.0017","12.0149","0.0009","90","","112.115","0.003","90","","2845.5","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H51 Co3 F12 N15 O P2 -","- C50 H51 Co3 F12 N15 O P2 -","- C100 H102 Co6 F24 N30 O2 P4 -","2","1","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0327","0.0303","","","0.0807","0.0821","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548390","20.6481","0.001","20.6481","0.001","16.8896","0.0009","90","","90","","90","","7200.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0223","0.0198","","","0.0502","0.0512","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548396","39.7584","0.0002","39.7584","0.0002","39.7584","0.0002","90","","90","","90","","62847.3","0.5","293","2","293","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C28 H30 N4 Ni2 O15 S -","- C28 H30 N4 Ni2 O15 S -","- C1344 H1440 N192 Ni96 O720 S48 -","48","1","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.09","0.0721","","","0.1988","0.2155","","","","","","1.022","","","","has coordinates","228714","2020-10-21","18:00:00",""
"1548397","46.6983","0.0003","46.6983","0.0003","46.6983","0.0003","90","","90","","90","","101836","1.1","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C36 H20 Co2 N6 O15 -","- C36 H21 Co2 N6 O15 -","- C1728 H1008 Co96 N288 O720 -","48","0.25","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.2094","0.1495","","","0.3603","0.444","","","","","","1.059","","","","has coordinates,has disorder","228714","2020-10-21","18:00:00",""
"1548407","13.932","0.003","15.014","0.003","14.827","0.003","90","","107.69","0.03","90","","2954.8","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C88 H88 B8 Cl12 Dy4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0769","0.0399","","","0.0653","0.0753","","","","","","1.004","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548408","13.937","0.003","15.046","0.003","14.786","0.003","90","","107.46","0.03","90","","2957.7","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C88 H88 B8 Cl12 N48 O8 Y4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0969","0.0478","","","0.1054","0.1203","","","","","","1.029","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548409","14.15","0.003","15.225","0.003","14.969","0.003","90","","107.75","0.03","90","","3071.3","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C88 H88 B8 Cl12 Gd4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.2825","0.0933","","","0.0989","0.1463","","","","","","0.814","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548410","14.003","0.003","15.079","0.003","14.825","0.003","90","","107.59","0.03","90","","2984","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C88 H88 B8 Cl12 N48 O8 Tb4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0683","0.0405","","","0.096","0.1078","","","","","","1.045","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548427","17.6","0.002","19.466","0.002","20.232","0.003","90","","96.305","0.002","90","","6889.6","1.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C304 H384 B16 N16 O16 -","8","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0994","0.0749","","","0.1645","0.1804","","","","","","1.128","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548428","11.335","0.004","10.991","0.004","35.202","0.013","90","","95.263","0.005","90","","4367","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1014","0.0829","","","0.1914","0.2045","","","","","","1.151","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548429","8.723","0.0016","23.773","0.004","13.264","0.003","90","","99.499","0.003","90","","2712.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 B2 N O2 -","- C29 H39 B2 N O2 -","- C116 H156 B8 N4 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0811","0.0652","","","0.157","0.1711","","","","","","1.129","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548430","10.134","0.003","18.98","0.006","13.58","0.004","90","","96.976","0.006","90","","2592.7","1.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B2 N2 O2 -","- C28 H38 B2 N2 O2 -","- C112 H152 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0829","0.0632","","","0.1424","0.156","","","","","","1.105","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548431","8.4242","0.0016","15.698","0.003","28.081","0.005","89.956","0.007","87.717","0.006","89.896","0.006","3710.6","1.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 B2 N2 O4 -","- C40 H50 B2 N2 O4 -","- C160 H200 B8 N8 O16 -","4","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1958","0.0962","","","0.1939","0.2616","","","","","","1.061","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548432","10.951","0.002","14.21","0.003","16.118","0.003","104.201","0.003","92.6541","0.0011","111.94","0.003","2228.7","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.102","0.059","","","0.1245","0.1501","","","","","","0.986","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548433","10.6242","0.0017","20.635","0.004","22.708","0.004","90","","100.578","0.003","90","","4893.7","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B2 N3 O2 -","- C54 H69 B2 N3 O2 -","- C216 H276 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1416","0.0985","","","0.2623","0.3028","","","","","","1.115","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548434","10.981","0.002","10.43","0.002","28.55","0.006","90","","94.578","0.004","90","","3259.5","1.1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1068","0.0762","","","0.1771","0.1986","","","","","","1.065","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548435","15.319","0.002","13.7912","0.0018","17.481","0.003","90","","112.051","0.002","90","","3423","0.9","93.15","","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0847","0.0603","","","0.1402","0.1588","","","","","","1.032","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548436","8.565","0.003","33.036","0.012","11.991","0.005","90","","90.444","0.004","90","","3393","2","93.15","","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C152 H192 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1455","0.0904","","","0.1686","0.1963","","","","","","1.101","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548437","14.692","0.007","11.21","0.005","27.115","0.012","90","","105.567","0.007","90","","4302","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1242","0.0985","","","0.2047","0.2199","","","","","","1.198","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548438","11.4491","0.0018","12.8149","0.0017","15.929","0.002","74.652","0.008","86.76","0.008","65.452","0.005","2046.2","0.5","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 B2 N2 O4 -","- C45 H62 B2 N2 O4 -","- C90 H124 B4 N4 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1155","0.075","","","0.2066","0.2377","","","","","","0.968","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548439","8.034","0.003","10.856","0.004","26.173","0.01","97.069","0.005","97.132","0.008","102.212","0.009","2187.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1616","0.0897","","","0.1617","0.203","","","","","","1.06","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548440","11.821","0.003","12.93","0.003","16.755","0.004","101.05","0.003","95.8819","0.0019","111.862","0.003","2289.8","1","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H63 B2 N3 O2 -","- C53 H63 B2 N3 O2 -","- C106 H126 B4 N6 O4 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1247","0.0652","","","0.1318","0.1605","","","","","","0.989","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548441","16.004","0.004","21.403","0.005","32.93","0.008","90","","90","","90","","11280","5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C468 H564 B24 F36 N24 O24 -","12","3","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0961","0.0893","","","0.2177","0.2235","","","","","","1.143","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548442","14.252","0.003","17.527","0.003","14.877","0.003","90","","93.855","0.003","90","","3707.8","1.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C156 H188 B8 F12 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1162","0.0767","","","0.1719","0.1975","","","","","","1.101","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548443","9.894","0.003","12.714","0.004","16.323","0.004","101.384","0.005","91.511","0.004","100.757","0.004","1973.3","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","1","0.5","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1217","0.0659","","","0.135","0.1656","","","","","","0.992","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548444","10.777","0.005","8.468","0.004","38.298","0.017","90","","95.088","0.007","90","","3481","3","93.15","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 B2 Cl N2 O2 -","- C38 H47 B2 Cl N2 O2 -","- C152 H188 B8 Cl4 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1323","0.0983","","","0.1784","0.1962","","","","","","1.163","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548445","19.208","0.003","13.253","0.002","16.091","0.003","90","","90","","90","","4096.2","1.2","93.15","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H64 B2 N2 O3 -","- C45 H64 B2 N2 O3 -","- C180 H256 B8 N8 O12 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0952","0.07","","","0.151","0.1669","","","","","","1.025","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548455","10.3192","0.0003","11.0867","0.0004","17.4057","0.0006","90","","90","","90","","1991.31","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0296","0.028","","","0.0682","0.0691","","","","","","1.095","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548456","6.1094","0.0003","14.2823","0.0006","19.8409","0.0008","90","","90","","90","","1731.24","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0303","0.0285","","","0.0687","0.0698","","","","","","1.091","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548457","7.9717","0.0003","9.2791","0.0004","14.2492","0.0006","95.3798","0.0016","105.336","0.0017","98.2795","0.0016","996.24","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C54 H42 N2 O4 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0387","0.0321","","","0.0768","0.0805","","","","","","1.038","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548458","9.495","0.0003","8.8357","0.0003","12.0617","0.0004","90","","90.258","0.002","90","","1011.91","0.06","97","2","97","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0418","0.0337","","","0.0753","0.0786","","","","","","1.016","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548459","23.2043","0.001","30.9754","0.0012","14.803","0.0006","90","","90","","90","","10639.8","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C106 H66 B4 F40 O2 P2 -","- C106 H66 B4 F40 O2 P2 -","- C424 H264 B16 F160 O8 P8 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.1371","0.1081","","","0.1951","0.2058","","","","","","1.161","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548460","11.163","0.0005","16.2067","0.0008","24.8378","0.0011","76.432","0.001","87.505","0.002","76.034","0.002","4238.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H62 B4 F40 O2 P2 -","- C88 H62 B4 F40 O2 P2 -","- C176 H124 B8 F80 O4 P4 -","2","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.0589","0.039","","","0.0786","0.086","","","","","","1.024","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548461","17.6792","0.0014","8.532","0.0007","19.5972","0.0015","90","","99.052","0.004","90","","2919.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 B F10 P -","- C31 H32 B F10 P -","- C124 H128 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.0634","0.045","","","0.0939","0.1002","","","","","","1.035","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548462","13.2212","0.0008","16.1944","0.0012","19.5088","0.0013","90","","94.223","0.002","90","","4165.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B F10 P -","- C40 H34 B F10 P -","- C160 H136 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1101","0.0607","","","0.1257","0.1436","","","","","","1.02","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548463","13.2091","0.0005","14.4202","0.0006","17.4143","0.0007","102.465","0.002","96.491","0.002","91.561","0.002","3213.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B F10 P -","- C34 H38 B F10 P -","- C136 H152 B4 F40 P4 -","4","2","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1963","0.1255","","","0.2056","0.2457","","","","","","1.206","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548464","12.2916","0.0001","38.2278","0.0004","34.996","0.0004","90","","90.268","0.003","90","","16443.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C141 H111 B6 F60 O3 P3 -","- C141 H111 B6 F60 O3 P3 -","- C564 H444 B24 F240 O12 P12 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1379","0.0834","","","0.1772","0.201","","","","","","1.049","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548465","38.4015","0.0012","38.4015","0.0012","38.4015","0.0012","90","","90","","90","","56630","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Mn3 N12 O70 Zr12 -","- C144 H72 Mn3 N12 O70 Zr12 -","- C576 H288 Mn12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.1566","0.1445","","","0.4146","0.4351","","","","","","2.027","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548466","38.672","0.001","38.672","0.001","38.672","0.001","90","","90","","90","","57835","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Mn","","- C144 H72 Mn3 N12 O52 Zr12 -","- C144 H72 Mn3 N12 O52 Zr12 -","- C576 H288 Mn12 N48 O208 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.0949","0.0844","","","0.2432","0.2639","","","","","","1.034","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548488","12.5175","0.0011","13.082","0.0012","13.0989","0.0014","90","","90","","90","","2145","0.4","293","","293","","","","","","","","","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","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0358","0.0293","","0.062","0.0564","0.062","","","","","","0.9936","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548489","11.9968","0.0011","12.5527","0.0011","12.8642","0.0006","90","","90","","90","","1937.2","0.3","293","","293","","","","1400","","","","","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","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0566","0.0458","","0.0689","0.068","0.0689","","","","","","1.001","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548490","11.9924","0.0012","12.5546","0.0011","12.8611","0.0007","90","","90","","90","","1936.4","0.3","293","","293","","","","1600","","","","","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","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.055","0.0441","","0.0702","0.0694","0.0702","","","","","","0.9938","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548491","12.3181","0.0007","12.8429","0.0007","13.038","0.0004","90","","90","","90","","2062.61","0.17","293","","293","","","","580","","","","","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","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0327","0.0291","","0.0706","0.066","0.0706","","","","","","1.0411","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548492","12.2089","0.0009","12.7469","0.0008","12.9686","0.0005","90","","90","","90","","2018.2","0.2","293","","293","","","","900","","","","","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","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.037","0.0306","","0.0522","0.0517","0.0522","","","","","","0.9999","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548493","9.0035","0.0013","9.0035","0.0013","14.39","0.002","90","","90","","90","","1166.5","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br Cl0 O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.0601","0.0588","","","0.1522","0.1537","","","","","","1.053","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548494","8.2193","0.0007","14.718","0.0012","10.7344","0.0008","90","","90","","90","","1298.56","0.18","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H4 Br4 O4 Pb3 -","- C4 H4 Br4 O4 Pb3 -","- C16 H16 Br16 O16 Pb12 -","4","0.5","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.088","0.0851","","","0.2209","0.2268","","","","","","1.077","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548495","8.9917","0.0008","8.9917","0.0008","14.354","0.003","90","","90","","90","","1160.5","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.068","0.0679","","","0.2263","0.2265","","","","","","1.242","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548531","16.9858","0.001","18.4496","0.001","18.8816","0.0011","90","","90","","90","","5917.1","0.6","100","2","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H46 Cl4 Eu N8 O Zn -","- C19 H46 Cl4 Eu N8 O Zn -","- C152 H368 Cl32 Eu8 N64 O8 Zn8 -","8","1","","Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.","First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.","Chemical science","2018","9","5","1273","1278","10.1039/c7sc02479g","","","0.71073","MoKα","","0.0646","0.0289","","","0.0526","0.0625","","","","","","1.047","","","","has coordinates,has disorder","228690","2020-10-21","18:00:00",""
"1548532","22.851","0.003","5.7145","0.0006","16.97","0.002","90","","98.174","0.003","90","","2193.5","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.059","0.0474","","","0.1199","0.1298","","","","","","1.048","","","","has coordinates","228737","2020-10-21","18:00:00",""
"1548533","15.0937","0.0012","17.6924","0.0014","9.6626","0.0008","90","","90","","90","","2580.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H41 O2 W0.5 -","- C27 H41 O2 W0.5 -","- C108 H164 O8 W2 -","4","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0311","0.0234","","","0.0487","0.0511","","","","","","1.06","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548534","13.4644","0.0006","13.7709","0.0006","18.7517","0.0008","106.468","0.002","110.976","0.002","96.554","0.002","3021.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H87 O4 P W -","- C68 H87 O4 P W -","- C136 H174 O8 P2 W2 -","2","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0337","0.0257","","","0.0588","0.0616","","","","","","1.049","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548543","6.746","0.003","7.246","0.003","7.434","0.003","77.801","0.007","83.65","0.008","88.409","0.007","353","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","1","0.5","","Zeng, Qingying; Mukherjee, Arijit; Müller, Peter; Rogers, Robin D.; Myerson, Allan S.","Exploring the role of ionic liquids to tune the polymorphic outcome of organic compounds.","Chemical science","2018","9","6","1510","1520","10.1039/c7sc04353h","","","0.71073","MoKα","","0.079","0.0624","","","0.1933","0.2064","","","","","","1.077","","","","has coordinates,has disorder","228734","2020-10-21","18:00:00",""
"1548565","12.6608","0.0008","17.559","0.0013","18.5345","0.0014","90","","90","","90","","4120.4","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51.88 Br4 Co N3 O Zn -","- C37 H51.884 Br4 Co N3 O Zn -","- C148 H207.536 Br16 Co4 N12 O4 Zn4 -","4","1","","Werth, Jacob; Uyeda, Christopher","Regioselective Simmons-Smith-type cyclopropanations of polyalkenes enabled by transition metal catalysis.","Chemical science","2018","9","6","1604","1609","10.1039/c7sc04861k","","","1.54178","CuKα","","0.057","0.0482","","","0.119","0.1234","","","","","","1.022","","","","has coordinates,has disorder","228736","2020-10-21","18:00:00",""
"1548566","9.0343","0.0001","10.2063","0.0002","11.0348","0.0002","66.3381","0.0018","70.1856","0.0017","78.1262","0.0019","873.89","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-3,4,5-trifluorophenylborinic acid benzylamine complex","","- C19 H14 B F6 N O -","- C19 H14 B F6 N O -","- C38 H28 B2 F12 N2 O2 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0553","0.0426","","","0.1","0.1073","","","","","","1.042","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548567","14.1158","0.0003","8.9604","0.0002","18.8756","0.0004","90","","90.0788","0.0017","90","","2387.44","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(phenyl)borinic acid benzylaminobenzoate","","- C27 H26 B Cl2 N O2 -","- C27 H26 B Cl2 N O2 -","- C108 H104 B4 Cl8 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0883","0.0488","","","0.0972","0.1105","","","","","","1.015","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548568","10.014","0.0003","11.7859","0.0004","23.0748","0.0007","103.818","0.0008","98.0649","0.001","96.9376","0.0009","2584.47","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylamine-4'-phenylbutanoate","","- C29 H24 B F6 N O2 -","- C29 H24 B F6 N O2 -","- C116 H96 B4 F24 N4 O8 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0608","0.0579","","","0.1578","0.1626","","","","","","1.035","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548569","12.8358","0.0009","12.6583","0.0009","12.8851","0.0009","90","","119.06","0.002","90","","1830","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0594","0.0409","","","0.1042","0.116","","","","","","1.078","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548570","10.635","0.0005","11.4814","0.0005","12.2457","0.0006","83.1389","0.0018","87.0947","0.0019","64.1817","0.0017","1336.36","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-iodophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 I2 O5 -","- C28 H22 B2 I2 O5 -","- C56 H44 B4 I4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0448","0.0286","","","0.0538","0.058","","","","","","1.036","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548571","9.2006","0.0002","11.4729","0.0004","13.1121","0.0004","101.57","0.003","99.773","0.002","98.085","0.003","1314.22","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-(2-chlorophenyl)borinic acid benzylamine-4-phenylbutanoat","","- C29 H28 B Cl2 N O2 -","- C29 H28 B Cl2 N O2 -","- C58 H56 B2 Cl4 N2 O4 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.07","0.0484","","","0.1119","0.1263","","","","","","1.029","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548572","10.1019","0.0004","11.7656","0.0005","19.567","0.0009","90","","103.69","0.0015","90","","2259.56","0.17","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylaminobenzoat","","- C26 H18 B F6 N O2 -","- C26 H18 B F6 N O2 -","- C104 H72 B4 F24 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0469","0.0373","","","0.0913","0.0976","","","","","","1.017","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548573","11.75","0.0005","11.0269","0.0004","13.1973","0.0005","90","","97.3307","0.0014","90","","1695.95","0.11","120","","120","","","","","","","","","8","P 1 c 1","P -2yc","7","","Bis-3,4,5-trifluorophenylborinic acid ethylenediamine complex","","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C58 H52 B4 Cl6 D2 F24 N8 O4 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0535","0.0459","","","0.1211","0.1267","","","","","","1.019","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548574","10.372","0.0005","11.1795","0.0005","12.3123","0.0006","106.545","0.0014","111.492","0.0014","96.8493","0.0015","1232.74","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","3,4,5-Trifluorophenylboroxine ‒ benzylamine complex","","- C25 H15 B3 F9 N O3 -","- C25 H15 B3 F9 N O3 -","- C50 H30 B6 F18 N2 O6 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0432","0.0358","","","0.0954","0.1003","","","","","","1.034","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548575","17.083","0.004","13.093","0.003","7.99","0.002","90","","90","","90","","1787.1","0.7","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0781","0.0445","","","0.1031","0.117","","","","","","1.049","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548576","21.212","0.0009","11.2705","0.0005","18.8494","0.0008","90","","114.886","0.0016","90","","4087.9","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenylboroxine complex with 4 equiv. benzylamine","","- C46 H51 B3 N4 O3 -","- C46 H51 B3 N4 O3 -","- C184 H204 B12 N16 O12 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.074","0.0496","","","0.1053","0.1169","","","","","","1.039","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548577","10.4296","0.0005","11.147","0.0006","11.7996","0.0006","84.748","0.002","87.958","0.002","67.5356","0.0019","1262.39","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-chlorophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 Cl2 O5 -","- C28 H22 B2 Cl2 O5 -","- C56 H44 B4 Cl4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0637","0.0427","","","0.1019","0.1111","","","","","","1.027","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548578","11.2396","0.0004","15.2054","0.0006","17.9361","0.0007","89.7333","0.0016","72.0196","0.0015","84.3291","0.0017","2900.27","0.19","120","","120","","","","","","","","","5","P -1","-P 1","2","","phenylboroxine complex with 2 equiv. benzylamine","","- C32 H33 B3 N2 O3 -","- C32 H33 B3 N2 O3 -","- C128 H132 B12 N8 O12 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0624","0.0445","","","0.1005","0.1087","","","","","","1.03","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548579","12.8086","0.0004","12.6262","0.0004","12.8625","0.0005","90","","119.598","0.002","90","","1808.74","0.11","220","","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0715","0.0628","","","0.1811","0.1941","","","","","","1.053","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548590","38.4003","0.0015","9.7146","0.0004","18.3058","0.0008","90","","114.338","0.002","90","","6222","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 B N O -","- C39 H42 B N O -","- C312 H336 B8 N8 O8 -","8","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0991","0.0596","","","0.132","0.1492","","","","","","1.043","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548591","8.488","0.0006","10.8609","0.0007","12.4693","0.0009","97.707","0.002","98.593","0.002","105.796","0.002","1075.07","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0939","0.0624","","","0.1625","0.1768","","","","","","1.112","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548592","12.3452","0.0006","9.0371","0.0005","20.4924","0.001","90","","91.199","0.002","90","","2285.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 B N O -","- C27 H32 B N O -","- C108 H128 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0913","0.061","","","0.1538","0.1686","","","","","","1.072","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548593","10.146","0.003","16.684","0.005","16.55","0.005","90","","103.602","0.008","90","","2722.9","1.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N O -","- C28 H34 B N O -","- C112 H136 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.1395","0.0762","","","0.1781","0.205","","","","","","0.963","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548594","17.551","0.006","15.552","0.005","17.729","0.006","90","","93.183","0.008","90","","4832","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 B N2 Se2 -","- C23 H37 B N2 Se2 -","- C184 H296 B8 N16 Se16 -","8","2","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.2188","0.0694","","","0.1626","0.2245","","","","","","0.97","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548595","18.966","0.004","13.037","0.003","18.816","0.005","90","","97.143","0.01","90","","4616.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 B2 N4 S -","- C49 H70 B2 N4 S -","- C196 H280 B8 N16 S4 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.219","0.0779","","","0.1632","0.2174","","","","","","0.951","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548596","16.059","0.003","17.563","0.003","17.928","0.003","90","","103.042","0.005","90","","4926.1","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 Se3 -","- C50 H78 B2 N4 O2 Se3 -","- C200 H312 B8 N16 O8 Se12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1018","0.0574","","","0.0891","0.1007","","","","","","1.073","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548597","15.945","0.003","17.53","0.004","17.924","0.003","90","","102.905","0.004","90","","4883.5","1.7","100","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 S3 -","- C50 H78 B2 N4 O2 S3 -","- C200 H312 B8 N16 O8 S12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1619","0.0738","","","0.1255","0.1523","","","","","","0.985","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548598","10.784","0.004","16.852","0.005","19.026","0.006","90","","91.03","0.03","90","","3457","2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O Se2 -","- C37 H49 B N2 O Se2 -","- C148 H196 B4 N8 O4 Se8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1634","0.0648","","","0.1155","0.144","","","","","","0.956","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548599","8.8508","0.0009","8.8654","0.0008","14.6186","0.0015","75.639","0.003","86.11","0.003","80.401","0.003","1095.24","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","1","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0847","0.0605","","","0.1429","0.1595","","","","","","1.057","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548600","17.8352","0.0015","16.7797","0.0016","28.365","0.003","90","","90","","90","","8488.8","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H62 B2 N4 Se -","- C42 H62 B2 N4 Se -","- C336 H496 B16 N32 Se8 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0869","0.0508","","","0.1029","0.1182","","","","","","1.097","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548601","16.39","0.03","17.61","0.03","38.28","0.07","90","","90","","90","","11049","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H86 B2 N4 O3 S4 -","- C54 H86 B2 N4 O3 S4 -","- C432 H688 B16 N32 O24 S32 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.4879","0.215","","","0.4095","0.537","","","","","","1.036","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548602","10.672","0.002","16.818","0.004","18.902","0.005","90","","91.75","0.03","90","","3391","1.4","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O S2 -","- C37 H49 B N2 O S2 -","- C148 H196 B4 N8 O4 S8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0423","0.0352","","","0.0865","0.0917","","","","","","1.022","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548603","8.8289","0.0011","8.8405","0.0016","14.667","0.003","85.939","0.013","75.916","0.01","79.987","0.01","1093","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B N2 Se -","- C24 H34 B N2 Se -","- C48 H68 B2 N4 Se2 -","2","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0896","0.0536","","","0.0969","0.1099","","","","","","0.998","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548613","6.1624","0.0006","7.7041","0.0007","30.136","0.003","90","","90","","90","","1430.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Luo, Hongwen; Yang, Zheng; Lin, Weilong; Zheng, Yangguangyan; Ma, Shengming","A catalytic highly enantioselective allene approach to oxazolines.","Chemical science","2018","9","7","1964","1969","10.1039/c7sc04079b","","","0.71073","MoKα","","0.026","0.023","","","0.0559","0.0569","","","","","","1.028","","","","has coordinates","228783","2020-10-21","18:00:00",""
"1548614","13.751","0.005","16.557","0.006","28.155","0.01","90","","93.121","0.004","90","","6401","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37.5 B I2 N O -","- C33 H38 B I2 N O -","- C264 H304 B8 I16 N8 O8 -","8","2","","Qi, Yanyu; Xu, Wenjun; Kang, Rui; Ding, Nannan; Wang, Yelei; He, Gang; Fang, Yu","Discrimination of saturated alkanes and relevant volatile compounds <i>via</i> the utilization of a conceptual fluorescent sensor array based on organoboron-containing polymers.","Chemical science","2018","9","7","1892","1901","10.1039/c7sc05243j","","","0.71073","MoKα","","0.0888","0.0732","","","0.1701","0.1792","","","","","","1.316","","","","has coordinates","228791","2020-10-21","18:00:00",""
"1548615","11.4664","0.0002","24.2697","0.0004","28.3765","0.0005","67.455","0.0007","88.576","0.0007","85.754","0.0007","7273.2","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H61 Li Ni O8.25 -","- C35.5 H61 Li Ni O8.25 -","- C284 H488 Li8 Ni8 O66 -","8","4","","Iwasaki, Takanori; Fukuoka, Asuka; Yokoyama, Wataru; Min, Xin; Hisaki, Ichiro; Yang, Tao; Ehara, Masahiro; Kuniyasu, Hitoshi; Kambe, Nobuaki","Nickel-catalyzed coupling reaction of alkyl halides with aryl Grignard reagents in the presence of 1,3-butadiene: mechanistic studies of four-component coupling and competing cross-coupling reactions.","Chemical science","2018","9","8","2195","2211","10.1039/c7sc04675h","","","1.54187","CuKα","","0.1745","0.1017","","","0.2986","0.3607","","","","","","1.052","","","","has coordinates,has disorder","228677","2020-10-21","18:00:00",""
"1548634","13.4779","0.0014","8.1983","0.0009","31.894","0.003","90","","90","","90","","3524.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 N O S -","- C19 H27 N O S -","- C152 H216 N8 O8 S8 -","8","1","","Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao","Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.","Chemical science","2018","9","7","1846","1853","10.1039/c7sc04580h","","","0.71073","MoKα","","0.0563","0.0466","","","0.1143","0.121","","","","","","1.048","","","","has coordinates","228786","2020-10-21","18:00:00",""
"1548635","9.7798","0.0002","10.6568","0.0002","17.5257","0.0003","90","","90","","90","","1826.55","0.06","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zheng, Xinxin; Guo, Rui; Zhang, Guozhu; Zhang, Dayong","Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C-C bond cleavage: efficient access to <i>trans</i>-bicyclic compounds.","Chemical science","2018","9","7","1873","1877","10.1039/c7sc04784c","","","1.54178","CuKα","","0.0454","0.0426","","","0.1134","0.1179","","","","","","1.043","","","","has coordinates","228788","2020-10-21","18:00:00",""
"1548636","7.786","0.003","8.024","0.003","16.081","0.005","90","","90","","90","","1004.7","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Ag N O4 -","- C8 H14 Ag N O4 -","- C32 H56 Ag4 N4 O16 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0163","0.0162","","","0.0441","0.0442","","","","","","1.028","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548637","16.509","0.001","8.4282","0.0005","13.9655","0.0008","90","","114.69","0.001","90","","1765.53","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N O3 Si -","- C18 H20 Ag N O3 Si -","- C72 H80 Ag4 N4 O12 Si4 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0395","0.0369","","","0.1133","0.1174","","","","","","1.009","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548638","15.186","0.002","13.4178","0.0013","17.1643","0.0016","90","","112.449","0.0014","90","","3232.4","0.6","100","0.5","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","neivf10","","","- C30.71 H44.57 Br1.14 Fe N2 O2.86 -","- C30.712 H44.568 Br1.144 Fe N2 O2.856 -","- C122.848 H178.272 Br4.576 Fe4 N8 O11.424 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0822","0.0512","","","0.1039","0.1148","","","","","","1.005","","","","has coordinates,has disorder","228785","2020-10-21","18:00:00",""
"1548639","10.0953","0.0008","10.9483","0.0008","17.657","0.0013","88.7501","0.0016","75.1691","0.0016","88.9205","0.0016","1885.9","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neism54","","","- C39 H60 Fe N2 O4 -","- C39 H60 Fe N2 O4 -","- C78 H120 Fe2 N4 O8 -","2","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0725","0.0484","","","0.1339","0.1459","","","","","","1.047","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548640","11.2603","0.0006","22.9235","0.0012","16.1864","0.0009","90","","103.878","0.0011","90","","4056.2","0.4","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","neism35","","","- C33 H46 Fe N2 O4 -","- C33 H46 Fe N2 O4 -","- C132 H184 Fe4 N8 O16 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0481","0.0341","","","0.0753","0.0808","","","","","","0.981","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548651","21.2508","0.0003","21.6182","0.0002","39.5929","0.0004","93.208","0.001","101.624","0.001","118.521","0.001","15407.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C250.5 H168.5 B5 Co6 F41 N47 O21.25 S7 -","- C247.5 H168.5 B5 Co6 F32 N47 O12.25 S4 -","- C495 H337 B10 Co12 F64 N94 O24.5 S8 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1226","0.1132","","","0.27","0.2782","","","","","","1.058","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548652","25.0303","0.0004","26.7592","0.0005","34.5514","0.0007","68.113","0.0017","88.8092","0.0017","66.5154","0.0014","19472.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C273 H263.5 B60.5 Co6 F19.5 N62.5 O20.5 S6.5 -","- C265.001 H263.5 B66 Co6 F12.003 N62.5 O13.003 S4.001 -","- C530.002 H527 B132 Co12 F24.006 N125 O26.006 S8.002 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1399","0.1179","","","0.3293","0.3464","","","","","","1.146","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548653","15.5829","0.0011","39.582","0.003","16.2027","0.0011","90","","110.448","0.002","90","","9364.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H130 Cl2 N4 Ni2 O5 -","- C85 H114 N4 Ni2 O5 -","- C340 H456 N16 Ni8 O20 -","4","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","0.7749","Synchrotron","","0.0626","0.0439","","","0.1126","0.1206","","","","","","1.033","","","","has coordinates","228730","2020-10-21","18:00:00",""
"1548654","11.4567","0.0007","13.1358","0.001","25.5529","0.0016","82.482","0.005","89.48","0.004","67.19","0.005","3510.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H96 N6 Ni2 O4 -","- C72 H96 N6 Ni2 O4 -","- C144 H192 N12 Ni4 O8 -","2","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0793","0.0599","","","0.1685","0.1848","","","","","","1.044","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548655","29.9305","0.0005","12.1234","0.0002","47.9429","0.0008","90","","90","","90","","17396.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H139 N4 Ni2 O4 -","- C68 H90 N4 Ni2 O4 -","- C544 H720 N32 Ni16 O32 -","8","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0893","0.0555","","","0.125","0.1382","","","","","","1.08","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548656","13.7157","0.0004","21.388","0.0007","65.483","0.002","90","","90","","90","","19209.5","1","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C192 H133 Ca2 O29 P4 -","- C192 H133 Ca2 O29 P4 -","- C768 H532 Ca8 O116 P16 -","4","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0928","0.063","","","0.1295","0.1434","","","","","","0.928","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548657","4.681","0.0005","6.1091","0.0007","14.2048","0.0016","100.603","0.008","92.652","0.008","94.55","0.009","397.25","0.08","100","2","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","1","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0517","0.0485","","","0.1197","0.1266","","","","","","1.111","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548659","13.855","0.004","9.378","0.002","30.742","0.008","90","","101.648","0.003","90","","3912.1","1.7","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C156 H156 B4 Fe4 N16 O4 P4 Zn4 -","2","0.5","","Abubekerov, Mark; Wei, Junnian; Swartz, Kevin R.; Xie, Zhixin; Pei, Qibing; Diaconescu, Paula L.","Preparation of multiblock copolymers <i>via</i> step-wise addition of l-lactide and trimethylene carbonate.","Chemical science","2018","9","8","2168","2178","10.1039/c7sc04507g","","","0.71073","MoKα","","0.0979","0.0793","","","0.2114","0.2198","","","","","","1.038","","","","has coordinates,has disorder","228680","2020-10-21","18:00:00",""
"1548660","17.2181","0.0008","12.9003","0.0007","14.6113","0.0009","90","","110.082","0.002","90","","3048.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 B9 Hf2 -","- C27 H35 B9 Hf2 -","- C108 H140 B36 Hf8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","1.54178","CuKα","","0.1043","0.0783","","","0.2117","0.2342","","","","","","1.059","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548661","17.2544","0.0006","12.8796","0.0003","14.6295","0.0005","90","","109.855","0.002","90","","3057.85","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B9 Zr2 -","- C27 H39 B9 Zr2 -","- C108 H156 B36 Zr8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0667","0.0375","","","0.0767","0.088","","","","","","1.021","","","","has coordinates,has disorder","228789","2020-10-21","18:00:00",""
"1548662","9.3061","0.0008","7.8838","0.0007","14.9171","0.0012","90","","100.72","0.002","90","","1075.33","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 B5 Hf2 -","- C20 H24 B5 Hf2 -","- C40 H48 B10 Hf4 -","2","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0497","0.0396","","","0.0911","0.0968","","","","","","1.022","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548696","10.039","0.003","14.627","0.004","11.432","0.003","90","","96.919","0.005","90","","1666.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B10 -","- C12 H20 B10 -","- C48 H80 B40 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0879","0.0629","","","0.1704","0.1971","","","","","","1.02","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548697","11.7439","0.0006","8.5035","0.0005","12.5486","0.0007","90","","108.228","0.001","90","","1190.27","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 S -","- C5 H14 B10 S -","- C20 H56 B40 S4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0526","0.0459","","","0.1353","0.1417","","","","","","1.104","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548698","6.955","0.0009","10.8072","0.0014","16.754","0.002","90","","90","","90","","1259.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 B10 O2 -","- C5 H16 B10 O2 -","- C20 H64 B40 O8 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1086","0.083","","","0.2047","0.2314","","","","","","1.05","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548699","11.9424","0.0013","8.5259","0.0008","13.3359","0.0012","90","","108.729","0.006","90","","1286","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H17 B10 N -","- C6 H17 B10 N -","- C24 H68 B40 N4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1208","0.0768","","","0.2184","0.2534","","","","","","1.065","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548700","8.9977","0.0004","9.8055","0.0005","11.2475","0.0007","87.61","0.002","66.4692","0.0016","73.9029","0.0015","871.46","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 B10 N -","- C14 H19 B10 N -","- C28 H38 B20 N2 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0928","0.0702","","","0.2005","0.2136","","","","","","1.185","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548701","11.9668","0.0012","12.4954","0.0012","14.9348","0.0015","87.27","0.006","75.356","0.006","88.638","0.006","2158","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 B10 Li O10 -","- C36 H67 B10 Li O10 -","- C72 H134 B20 Li2 O20 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1902","0.1105","","","0.2813","0.3299","","","","","","1.055","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548702","9.769","0.003","13.123","0.003","10.039","0.003","90","","114.345","0.003","90","","1172.5","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C58 H50 N2 O6 S2 -","2","1","","Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao","Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with <i>N</i>-sulfonylimines: a facile synthesis of tetrahydropyridines.","Chemical science","2018","9","7","1831","1835","10.1039/c7sc04515h","","","0.71073","MoKα","","0.0433","0.0413","","","0.0895","0.0909","","","","","","1.096","","","","has coordinates","228792","2020-10-21","18:00:00",""
"1548722","8.6681","0.0006","10.3977","0.0007","11.4123","0.0008","90","","90","","90","","1028.57","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 O P -","- C12 H15 O P -","- C48 H60 O4 P4 -","4","1","","Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun","Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination.","Chemical science","2018","9","7","1867","1872","10.1039/c7sc04381c","","","1.54178","CuKα","","0.0254","0.0252","","","0.0609","0.0612","","","","","","1.134","","","","has coordinates","228784","2020-10-21","18:00:00",""
"1548738","14.6048","0.0015","7.4486","0.0004","9.5237","0.0005","90","","90","","90","","1036.04","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0573","0.0424","","","0.0977","0.1197","","","","","","1.187","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548739","14.7295","0.0011","7.3639","0.0003","9.5828","0.0004","90","","90","","90","","1039.41","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0676","0.0497","","","0.1216","0.1486","","","","","","1.113","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548740","14.7688","0.001","7.3395","0.0003","9.5973","0.0004","90","","90","","90","","1040.31","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0744","0.0551","","","0.1495","0.1859","","","","","","1.159","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548741","14.5868","0.0013","7.4684","0.0003","9.513","0.0005","90","","90","","90","","1036.35","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0819","0.0587","","","0.1418","0.1736","","","","","","1.139","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548742","14.471","0.0009","7.5428","0.0003","9.4556","0.0005","90","","90","","90","","1032.1","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0631","0.0486","","","0.1182","0.1451","","","","","","1.202","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548743","14.7589","0.0012","7.348","0.0003","9.5909","0.0004","90","","90","","90","","1040.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0764","0.0568","","","0.1436","0.1891","","","","","","1.132","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548744","14.5467","0.0012","7.4933","0.0004","9.4931","0.0005","90","","90","","90","","1034.77","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0761","0.0562","","","0.1391","0.1707","","","","","","1.134","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548745","14.6615","0.0014","7.4138","0.0004","9.5536","0.0005","90","","90","","90","","1038.45","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.064","0.0463","","","0.1094","0.1321","","","","","","1.121","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548746","14.7005","0.0012","7.3877","0.0003","9.5676","0.0005","90","","90","","90","","1039.07","0.11","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0723","0.0514","","","0.1235","0.1517","","","","","","1.073","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548747","14.6166","0.0011","7.4465","0.0003","9.5286","0.0005","90","","90","","90","","1037.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0756","0.0564","","","0.1381","0.1676","","","","","","1.133","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548748","14.4836","0.0012","7.5409","0.0004","9.4574","0.0005","90","","90","","90","","1032.93","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0725","0.055","","","0.1457","0.1751","","","","","","1.144","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548749","14.8308","0.0013","7.2957","0.0004","9.6188","0.0005","90","","90","","90","","1040.76","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0681","0.0485","","","0.1191","0.1495","","","","","","1.165","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548752","24.8934","0.0003","13.45834","0.00018","18.5282","0.0003","90","","90","","90","","6207.39","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H33 F4 Mg N3 -","- C34 H33 F4 Mg N3 -","- C272 H264 F32 Mg8 N24 -","8","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0513","0.0414","","","0.0987","0.1073","","","","","","1.027","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548753","11.7887","0.0007","12.0703","0.0006","21.6822","0.0007","80.152","0.003","74.593","0.004","66.945","0.005","2729","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H81 Mg N4 Zn -","- C58.5 H81 Mg N4 Zn -","- C117 H162 Mg2 N8 Zn2 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0636","0.046","","","0.0986","0.1071","","","","","","1.028","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548754","14.5708","0.0008","14.6964","0.0008","18.2421","0.0007","91.379","0.004","93.348","0.004","91.651","0.004","3896.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H115 F3 Mg3 N6 -","- C81 H115 F3 Mg3 N6 -","- C162 H230 F6 Mg6 N12 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0831","0.049","","","0.1137","0.1262","","","","","","0.876","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548755","11.8799","0.0007","16.0457","0.0008","17.2413","0.0008","83.738","0.004","85.661","0.004","88.935","0.004","3257.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H36.5 F4 Mg N3 -","- C35.5 H36.5 F4 Mg N3 -","- C142 H146 F16 Mg4 N12 -","4","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0996","0.064","","","0.1646","0.2005","","","","","","1.007","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548756","10.18598","0.00012","24.1833","0.0003","23.1663","0.0003","90","","99.0832","0.0012","90","","5635.01","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H84 Mg N6 Zn -","- C59 H84 Mg N6 Zn -","- C236 H336 Mg4 N24 Zn4 -","4","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0391","0.0329","","","0.0861","0.0907","","","","","","1.048","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548757","13.4443","0.0003","8.2978","0.0002","19.6313","0.0005","90","","102.544","0.002","90","","2137.75","0.09","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H58 Mg N4 Zn -","- C46 H58 Mg N4 Zn -","- C92 H116 Mg2 N8 Zn2 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0541","0.0402","","","0.1018","0.1132","","","","","","1.017","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548758","15.6052","0.0004","24.2499","0.0005","23.5838","0.0005","90","","102.23","0.002","90","","8722.1","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46.5 H56 F4 N3 Zn -","- C46.5 H56 F4 N3 Zn -","- C372 H448 F32 N24 Zn8 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0667","0.0442","","","0.1208","0.1384","","","","","","1.046","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548759","12.3877","0.0006","22.4084","0.001","19.0461","0.0007","90","","90.149","0.004","90","","5287","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Mg N4 O Zn -","- C56 H78 Mg N4 O Zn -","- C224 H312 Mg4 N16 O4 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0693","0.0462","","","0.1058","0.1178","","","","","","1.031","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548760","21.9257","0.0003","15.7003","0.0002","37.0659","0.0006","90","","97.8995","0.0014","90","","12638.5","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H99 Al Mg N4 -","- C59 H85 Al Mg N4 -","- C472 H680 Al8 Mg8 N32 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0444","0.0377","","","0.1016","0.1075","","","","","","1.042","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548761","12.7429","0.0002","17.3446","0.0004","13.026","0.0003","90","","101.313","0.002","90","","2823.07","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 N4 Zn3 -","- C58 H82 N4 Zn3 -","- C116 H164 N8 Zn6 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0571","0.0382","","","0.0858","0.0984","","","","","","1.023","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548762","13.75991","0.00019","13.8927","0.0002","26.733","0.0004","90","","90","","90","","5110.34","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H75 Al N4 Zn -","- C54 H75 Al N4 Zn -","- C216 H300 Al4 N16 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.043","0.0352","","","0.0812","0.0867","","","","","","1.014","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548769","6.9832","0.0006","8.5007","0.0007","26.483","0.002","90","","90","","90","","1572.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ngamnithiporn, Aurapat; Jette, Carina I.; Bachman, Shoshana; Virgil, Scott C.; Stoltz, Brian M.","Nickel-catalyzed enantioselective allylic alkylation of lactones and lactams with unactivated allylic alcohols.","Chemical science","2018","9","9","2547","2551","10.1039/c7sc05216b","","","1.54178","CuKα","","0.0278","0.026","","","0.0656","0.0664","","","","","","1.06","","","","has coordinates","228795","2020-10-21","18:00:00",""
"1548770","8.7015","0.0013","14.84","0.003","14.86","0.003","90","","105.517","0.0015","90","","1848.9","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(3,5-dichloro-4-pyridyl)(2,4,6-trichlorophenyl)methyl radical","","- C17 H6 Cl7 N2 -","- C17 H6 Cl7 N2 -","- C68 H24 Cl28 N8 -","4","1","","Kimura, Shun; Tanushi, Akira; Kusamoto, Tetsuro; Kochi, Shuntaro; Sato, Tohru; Nishihara, Hiroshi","A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes.","Chemical science","2018","9","7","1996","2007","10.1039/c7sc04034b","","","0.7107","MoKα","","","0.0344","","","","0.0888","","","","","","1.062","","","","has coordinates","228790","2020-10-21","18:00:00",""
"1548829","24.328","0.002","24.845","0.003","32.217","0.003","67.732","0.003","76.94","0.002","84.496","0.003","17553","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C260 H338 Au42 S26 -","- C260 H338 Au42 S26 -","- C520 H676 Au84 S52 -","2","1","","Zhuang, Shengli; Liao, Lingwen; Zhao, Yan; Yuan, Jinyun; Yao, Chuanhao; Liu, Xu; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Is the kernel-staples match a key-lock match?","Chemical science","2018","9","9","2437","2442","10.1039/c7sc05019d","","","0.71073","MoKα","","0.1144","0.0619","","","0.1493","0.1764","","","","","","0.976","","","","has coordinates","228796","2020-10-21","18:00:00",""
"1548838","7.4225","0.0005","16.5812","0.001","21.1102","0.0014","82.789","0.003","85.375","0.003","84.403","0.003","2559.1","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C18 H26 N4 O6 S -","- C18 H26 N4 O6 S -","- C72 H104 N16 O24 S4 -","4","4","","Lee, Jisun; Joullié, Madeleine M","Total synthesis of the reported structure of ceanothine D <i>via</i> a novel macrocyclization strategy.","Chemical science","2018","9","9","2432","2436","10.1039/c8sc00234g","","","0.71073","MoKα","","0.0702","0.0659","","","0.167","0.1696","","","","","","1.073","","","","has coordinates","228799","2020-10-21","18:00:00",""
"1548839","9.6006","0.0009","15.4568","0.0016","11.7534","0.0011","90","","93.542","0.009","90","","1740.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Ni0.5 O4 -","- C21 H23 Ni0.5 O4 -","- C84 H92 Ni2 O16 -","4","1","","Vijaykumar, Gonela; Pariyar, Anand; Ahmed, Jasimuddin; Shaw, Bikash Kumar; Adhikari, Debashis; Mandal, Swadhin K.","Tuning the redox non-innocence of a phenalenyl ligand toward efficient nickel-assisted catalytic hydrosilylation.","Chemical science","2018","9","10","2817","2825","10.1039/c7sc04687a","","x-ray","0.71073","MoKα","","0.07","0.0578","","","0.1575","0.1734","","","","","","1.071","","","","has coordinates","228640","2020-10-21","18:00:00",""
"1548853","7.4148","0.0001","10.3516","0.0003","14.6348","0.0003","82.054","0.008","79.877","0.007","73.007","0.007","1053.02","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N2 O2 S2 -","- C23 H26 N2 O2 S2 -","- C46 H52 N4 O4 S4 -","2","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0324","0.0287","","","0.0796","0.0816","","","","","","1.101","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548854","10.7685","0.0017","14.2394","0.0019","16.386","0.003","90","","108.759","0.0019","90","","2379.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N2 O2 S2 -","- C25 H30 N2 O2 S2 -","- C100 H120 N8 O8 S8 -","4","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0388","0.0342","","","0.0832","0.0865","","","","","","1.023","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548856","8.6947","0.0017","17.563","0.004","10.737","0.002","90","","97.361","0.004","90","","1626.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 -","- C44 H36 N2 -","- C88 H72 N4 -","2","0.5","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1702","0.1127","","","0.316","0.3594","","","","","","1.115","","","","has coordinates,has disorder","228639","2020-10-21","18:00:00",""
"1548857","14.1565","0.0018","17.917","0.002","14.4208","0.0018","90","","99.826","0.002","90","","3604.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N4 O4 -","- C46 H34 N4 O4 -","- C184 H136 N16 O16 -","4","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.0899","0.0569","","","0.1487","0.1833","","","","","","1.035","","","","has coordinates,has disorder","228639","2020-10-21","18:00:00",""
"1548858","11.856","0.007","12.147","0.007","13.446","0.008","102.687","0.008","111.422","0.008","93.005","0.009","1739.8","1.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C92 H68 N8 -","2","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1331","0.0712","","","0.197","0.2394","","","","","","1.03","","","","has coordinates","228639","2020-10-21","18:00:00",""
"1548860","13.9558","0.0003","15.4622","0.0003","30.6296","0.0006","90","","90","","90","","6609.5","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36.34 N O2.17 P -","- C42 H36.34 N O2.17 P -","- C336 H290.72 N8 O17.36 P8 -","8","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0359","0.0323","","0.0822","0.0789","0.0822","","","","","","0.9994","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548861","11.4023","0.0002","8.446","0.0001","12.168","0.0002","90","","117.387","0.002","90","","1040.49","0.03","150","","150","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl F6 N -","- C22 H20 Cl F6 N -","- C44 H40 Cl2 F12 N2 -","2","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0365","0.0357","","0.095","0.0937","0.095","","","","","","1.0028","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548862","8.332","0.0001","11.3877","0.0002","22.1875","0.0004","90","","90","","90","","2105.2","0.06","150","","150","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C96 H120 Cl4 N4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0347","0.0317","","0.0852","0.0796","0.0829","","","","","","1.0093","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548863","13.9275","0.0001","18.6673","0.0001","15.2746","0.0001","90","","110.757","0.0008","90","","3713.47","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46.5 H39 Cl N O2 P -","- C46.5 H39 Cl N O2 P -","- C186 H156 Cl4 N4 O8 P4 -","4","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.5418","CuKα","","0.0475","0.0453","","0.1194","0.1169","0.1194","","","","","","1.0071","","","","has coordinates","228797","2020-10-21","18:00:00",""
"1548864","24.2085","0.0003","16.0031","0.0002","8.8283","0.0001","90","","90","","90","","3420.18","0.07","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42.45 H36.9 Cl0.9 N O2 P -","- C42.4489 H36.8978 Cl0.8978 N O2 P -","- C169.796 H147.591 Cl3.5912 N4 O8 P4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0375","0.0358","","0.0949","0.0929","0.0949","","","","","","1.0024","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548865","27.8322","0.0003","21.4898","0.0002","26.4066","0.0003","90","","116.468","0.002","90","","14138.5","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 B Cl N6 Ni O2 Si2 -","- C50 H82 B Cl N6 Ni O2 Si2 -","- C400 H656 B8 Cl8 N48 Ni8 O16 Si16 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0528","0.0415","","","0.1177","0.1268","","","","","","1.023","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548866","10.8782","0.0001","25.2119","0.0002","17.866","0.0001","90","","91.948","0.001","90","","4897.1","0.07","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H71 B Cl N5 Ni O3 Si2 -","- C44 H71 B Cl N5 Ni O3 Si2 -","- C176 H284 B4 Cl4 N20 Ni4 O12 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0368","0.0328","","","0.0858","0.0889","","","","","","1.03","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548867","9.8905","0.0012","12.6054","0.0014","16.945","0.002","69.66","0.011","89.159","0.01","78.594","0.01","1938.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H63 B Cl N5 O2 -","- C38 H63 B Cl N5 O2 -","- C76 H126 B2 Cl2 N10 O4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1551","0.0939","","","0.2404","0.2981","","","","","","1.017","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548868","11.0148","0.0004","14.6131","0.0005","22.793","0.0008","84.552","0.003","83.601","0.003","70.398","0.004","3428.1","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H105 B Cl N6 Ni O6 Si2 -","- C66 H104 B Cl N6 Ni O6 Si2 -","- C132 H208 B2 Cl2 N12 Ni2 O12 Si4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0701","0.0565","","","0.1518","0.166","","","","","","1.042","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548869","13.7173","0.0002","15.3059","0.0002","15.7157","0.0002","90","","110.275","0.002","90","","3095.16","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 B Cl N5 -","- C27 H49 B Cl N5 -","- C108 H196 B4 Cl4 N20 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0468","0.0409","","","0.1096","0.1198","","","","","","1.065","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548870","15.6878","0.0002","12.3457","0.0001","36.8495","0.0005","90","","90","","90","","7136.9","0.14","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H59 B Cl N5 O -","- C33 H59 B Cl N5 O -","- C264 H472 B8 Cl8 N40 O8 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0765","0.065","","","0.1842","0.1974","","","","","","1.029","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548871","14.0633","0.0007","26.4632","0.0011","18.1718","0.001","90","","100.801","0.005","90","","6643","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 B Cl N6 Ni O2 Si2 -","- C51 H78 B Cl N6 Ni O2 Si2 -","- C204 H312 B4 Cl4 N24 Ni4 O8 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1852","0.0929","","","0.1819","0.224","","","","","","0.819","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548872","10.17707","0.00014","8.43885","0.00015","18.8541","0.0003","90","","101.724","0.0015","90","","1585.46","0.04","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H12 F6 N O P -","- C15 H12 F6 N O P -","- C60 H48 F24 N4 O4 P4 -","4","2","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","x-ray","1.54184","CuKα","","0.0512","0.0482","","","0.1257","0.1288","","","","","","1.027","","","","has coordinates,has disorder","228852","2020-10-21","18:00:00",""
"1548873","9.524","0.0005","17.1108","0.0009","36.4272","0.0016","90","","90","","90","","5936.3","0.5","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H60 Cl6 O4 Rh2 -","- C65 H60 Cl6 O4 Rh2 -","- C260 H240 Cl24 O16 Rh8 -","4","1","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","","1.54184","CuKα","","0.0687","0.0551","","","0.1219","0.1295","","","","","","1.103","","","","has coordinates","228852","2020-10-21","18:00:00",""
"1548874","10.4786","0.0005","16.101","0.0008","16.7081","0.0008","90","","92.821","0.002","90","","2815.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C64 H144 B40 Cl4 Cu4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0414","0.0284","","","0.0472","0.0501","","","","","","1.041","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548875","10.6009","0.0005","13.8331","0.0007","11.0738","0.0005","90","","103.867","0.002","90","","1576.57","0.13","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C36 H78 Ag2 B20 N4 O14 P4 Ru2 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.025","0.0215","","","0.0379","0.0387","","","","","","1.031","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548876","12.421","0.0005","12.596","0.0006","19.0782","0.0008","90","","101.457","0.002","90","","2925.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C64 H144 Au4 B40 Cl4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0301","0.0225","","","0.034","0.0352","","","","","","1.079","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548877","7.945","0.0003","8.8188","0.0003","17.5482","0.0007","77.665","0.002","82.466","0.002","81.092","0.002","1180.51","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0429","0.0345","","","0.0794","0.0821","","","","","","1.039","","","","has coordinates","228850","2020-10-21","18:00:00",""
"1548878","8.002","0.0006","9.1057","0.0007","17.7358","0.0014","76.787","0.004","82.257","0.004","80.099","0.004","1233.2","0.17","277","2","277","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0798","0.0459","","","0.0897","0.0976","","","","","","1.033","","","","has coordinates","228850","2020-10-21","18:00:00",""
"1548879","8.3869","0.0007","7.9947","0.0006","19.4819","0.0016","90","","90.1405","0.0011","90","","1306.27","0.18","88","2","88","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C20 H36 B2 Co F8 N6 O2 -","- C20 H36 B2 Co F8 N6 O2 -","- C40 H72 B4 Co2 F16 N12 O4 -","2","0.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.032","0.027","","","0.0666","0.0693","","","","","","1.031","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548880","28.1807","0.0018","13.2001","0.0008","20.3454","0.0013","90","","129.871","0.0006","90","","5808.5","0.6","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 B2 Co F8 N7 O -","- C22 H37 B2 Co F8 N7 O -","- C176 H296 B16 Co8 F64 N56 O8 -","8","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.0389","0.0288","","","0.0672","0.0716","","","","","","1.03","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548881","9.8793","0.0006","14.9748","0.0008","17.3244","0.001","90","","90","","90","","2563","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B2 Co F8 N6 -","- C20 H28 B2 Co F8 N6 -","- C80 H112 B8 Co4 F32 N24 -","4","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.027","0.0235","","","0.0552","0.0569","","","","","","1.023","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548882","30.4582","0.0016","20.3058","0.0011","17.0511","0.0009","90","","120.178","0.0007","90","","9116.5","0.8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 B2 Co F8 N8 -","- C24 H38 B2 Co F8.00007 N8 -","- C288 H456 B24 Co12 F96.0008 N96 -","12","1.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.1335","0.1226","","","0.3233","0.3322","","","","","","1.067","","","","has coordinates,has disorder","228637","2020-10-21","18:00:00",""
"1548883","10.8491","0.0007","11.7518","0.0008","14.5176","0.001","75.9118","0.0008","86.5298","0.0008","71.8096","0.0008","1705.3","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","1","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0243","0.0221","","","0.0542","0.0554","","","","","","1.034","","","","has coordinates,has disorder","228800","2020-10-21","18:00:00",""
"1548884","32.941","0.002","8.2524","0.0006","21.7664","0.0015","90","","108.302","0.0008","90","","5617.7","0.7","88","2","88","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C184 H192 F24 Fe8 K8 N16 O76 S8 -","4","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.099","0.0931","","","0.2677","0.274","","","","","","1.055","","","","has coordinates,has disorder","228800","2020-10-21","18:00:00",""
"1548885","9.7023","0.0006","12.7853","0.0007","15.6368","0.0009","106.971","0.001","104.413","0.001","98.178","0.001","1747.82","0.18","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C52 H54 Ba2 Cl2 F12 Fe2 N6 O24 S4 -","2","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0232","0.0209","","","0.0571","0.0582","","","","","","1.077","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548886","11.253","0.0013","17.652","0.002","13.5982","0.0015","90","","90.075","0.002","90","","2701.1","0.5","128","2","128","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl F3 Fe K N2 O9 S -","- C23 H24 Cl F3 Fe K N2 O9 S -","- C92 H96 Cl4 F12 Fe4 K4 N8 O36 S4 -","4","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0464","0.0349","","","0.0849","0.0912","","","","","","1.032","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548887","9.5075","0.0004","27.3543","0.0012","28.8412","0.0012","90","","90","","90","","7500.8","0.6","88","2","88","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C208 H216 Ba8 F48 Fe8 N24 O100 S16 -","8","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0849","0.068","","","0.1813","0.195","","","","","","1.025","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548897","8.8511","0.0007","24.5258","0.0019","11.1501","0.0009","90","","97.066","0.001","90","","2402.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl Co F6 N4 O6 S2 -","- C16 H23 Cl Co F6 N4 O6 S2 -","- C64 H92 Cl4 Co4 F24 N16 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0538","0.0426","","","0.1065","0.1133","","","","","","1.031","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548898","12.8115","0.0016","24.0973","0.0019","8.7902","0.001","90","","96.927","0.005","90","","2693.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H28 Co F6 N4 O8 S2 -","- C19 H28 Co F6 N4 O8 S2 -","- C76 H112 Co4 F24 N16 O32 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.028","0.0259","","","0.0595","0.0605","","","","","","1.034","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548899","14.2091","0.0005","13.4658","0.0004","15.184","0.0005","90","","93.295","0.0008","90","","2900.46","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Co F6 N7 O6 S2 -","- C21 H29 Co F6 N7 O6 S2 -","- C84 H116 Co4 F24 N28 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0309","0.0269","","","0.069","0.0715","","","","","","1.03","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548900","9.312","0.002","16.956","0.004","29.498","0.007","90","","90","","90","","4657.6","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 N4 O6 S2 -","- C16 H24 Co F6 N4 O6 S2 -","- C128 H192 Co8 F48 N32 O48 S16 -","8","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.7107","MoKα","","0.0251","0.0227","","","0.0556","0.0568","","","","","","1.091","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548901","8.802","0.002","24.936","0.006","12.694","0.003","90","","94.038","0.005","90","","2779.2","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Co F6 N5 O6 S2 -","- C18 H29 Co F6 N5 O6 S2 -","- C72 H116 Co4 F24 N20 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.1031","0.0767","","","0.2182","0.2483","","","","","","1.036","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548902","11.9921","0.0009","15.4423","0.0014","15.8756","0.0013","90","","108.403","0.002","90","","2789.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co F6 N4 O7 S2 -","- C19 H30 Co F6 N4 O7 S2 -","- C76 H120 Co4 F24 N16 O28 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0458","0.0353","","","0.0873","0.0933","","","","","","1.035","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548904","14.245","0.002","17.905","0.002","11.3809","0.0009","90","","90","","90","","2902.8","0.6","173","0.1","173","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H32 B2 N Na O5 -","- C27 H24 B2 N Na O5 -","- C108 H96 B8 N4 Na4 O20 -","4","0.5","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.1286","0.0895","","","0.2458","0.2854","","","","","","1.051","","","","has coordinates,has disorder","228636","2020-10-21","18:00:00",""
"1548905","12.3892","0.001","40.276","0.005","12.9956","0.0007","90","","90.798","0.007","90","","6484","1","175","1","175","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 B K N2 O4 -","- C32 H37.75 B K N2 O4 -","- C256 H302 B8 K8 N16 O32 -","8","4","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.0999","0.0683","","","0.1631","0.1833","","","","","","1","","","","has coordinates","228636","2020-10-21","18:00:00",""
"1548906","14.314","0.003","12.233","0.003","27.034","0.006","90","","102.751","0.013","90","","4617","1.8","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57 N O2 P2 S2 Ti -","- C52 H57 N O2 P2 S2 Ti -","- C208 H228 N4 O8 P8 S8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0785","0.0426","","","0.0867","0.0983","","","","","","1.012","","","","has coordinates","228779","2020-10-21","18:00:00",""
"1548907","11.835","0.002","19.146","0.003","22.47","0.004","90","","102.101","0.008","90","","4978.4","1.5","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 N7 P2 Ti -","- C56 H65 N7 P2 Ti -","- C224 H260 N28 P8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0635","0.0409","","","0.0911","0.1012","","","","","","1.033","","","","has coordinates,has disorder","228779","2020-10-21","18:00:00",""
"1548910","11.0085","0.0006","13.2457","0.0007","15.8552","0.0009","90","","92.636","0.002","90","","2309.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl3 N4 O4 Ru -","- C20 H28 Cl3 N4 O4 Ru -","- C80 H112 Cl12 N16 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0398","0.0285","","","0.0618","0.0657","","","","","","1.033","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548911","8.6233","0.001","12.5838","0.0016","23.552","0.004","90","","90","","90","","2555.7","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl3 N5 O4 Ru -","- C22 H29 Cl3 N5 O4 Ru -","- C88 H116 Cl12 N20 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0188","0.0188","","","0.0483","0.0485","","","","","","1.068","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548912","10.505","0.002","10.579","0.002","11.649","0.002","90","","101.09","0.03","90","","1270.4","0.4","253","2","253","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C22 H32 Cl3 N4 O4 Ru -","- C22 H32 Cl3 N4 O4 Ru -","- C44 H64 Cl6 N8 O8 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0302","0.0291","","","0.0802","0.0808","","","","","","1.037","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548913","8.1503","0.0006","16.4241","0.0013","12.805","0.0011","90","","99.016","0.003","90","","1692.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 Cl2 N6 O8 Ru -","- C32 H38 Cl2 N6 O8 Ru -","- C64 H76 Cl4 N12 O16 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0688","0.0689","","","","","","1.055","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548914","9.912","0.0007","17.5103","0.0014","21.2883","0.0017","81.245","0.005","80.941","0.006","83.022","0.006","3588.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31.65 H36.48 Cl2 N6.83 O8 Ru -","- C31.664 H36.496 Cl2 N6.832 O8 Ru -","- C126.656 H145.984 Cl8 N27.328 O32 Ru4 -","4","2","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","x-ray","1.54178","CuKα","","0.0968","0.0682","","","0.1781","0.1966","","","","","","1.024","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548915","14.38","","15.3958","","21.7726","","74.25","","71.751","","82.351","","4399.85","","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H58 Mn3.5 N4 O24 S10 -","- C83 H58 Mn3.5 N3 O24 S10 -","- C166 H116 Mn7 N6 O48 S20 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.71075","MoKα","","0.109","0.0801","","","0.2057","0.2324","","","","","","1.062","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548916","14.639","","16.743","","20.551","","100.913","","106.78","","100.119","","4591.03","","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H17.5 Mn3.5 N10 O24 -","- C100 H35 Mn3.5 N10 O24 -","- C200 H70 Mn7 N20 O48 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.75","synchrotronradiation","","0.1107","0.0883","","","0.2574","0.2772","","","","","","1.064","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548917","10.383","0.0004","11.3585","0.0005","17.4827","0.0008","89.777","0.002","89.404","0.002","63.76","0.002","1849.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th(BIMA)4","","- C32 H68 N8 Th -","- C32 H68 N8 Th -","- C64 H136 N16 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.011","0.0107","","","0.0273","0.0274","","","","","","1.09","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548918","16.9023","0.0009","11.4723","0.0006","21.7432","0.0012","90","","95.127","0.003","90","","4199.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Th(ptolylN3CH2SiMe3)(BIMA)3","","- C35 H69 N9 Si Th -","- C35 H69 N9 Si Th -","- C140 H276 N36 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0384","0.0317","","","0.07","0.0731","","","","","","1.089","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548919","9.4981","0.0019","11.95","0.002","16.888","0.003","90.32","0.03","99.06","0.03","102.29","0.03","1848","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th[(iPr)N(O2C2)(CH2SiMe3)C(Me)N(iPr)](BIMA)2]","","- C30 H62 N6 O2 Si Th -","- C30 H62 N6 O2 Si Th -","- C60 H124 N12 O4 Si2 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0211","0.0198","","","0.0453","0.0458","","","","","","1.099","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548920","12.986","0.004","16.992","0.005","17.337","0.004","103.843","0.01","97.592","0.01","93.871","0.012","3662.3","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th(OC(CH2)SiMe3)(BIMA)3","","- C29 H62 N6 O Si Th -","- C29 H62 N6 O Si Th -","- C116 H248 N24 O4 Si4 Th4 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0347","0.0273","","","0.0556","0.0585","","","","","","1.109","","","","has coordinates,has disorder","228634","2020-10-21","18:00:00",""
"1548921","11.5082","0.0005","12.3194","0.0005","12.8462","0.0005","61.8432","0.0007","79.157","0.0008","86.2752","0.0008","1576.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th[(iPr)NC(CH2)N(iPr)](BIMA)2","","- C13.75 H25 N3 Th0.5 -","- C13.75 H25 N3 Th0.5 -","- C55 H100 N12 Th2 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0215","0.0207","","","0.0488","0.0493","","","","","","1.117","","","","has coordinates,has disorder","228634","2020-10-21","18:00:00",""
"1548922","10.9839","0.0005","20.99","0.0008","18.246","0.0008","90","","93.46","0.0018","90","","4199","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(CNXylCH2SiMe3)(BIMA)3","","- C37 H71 N7 Si Th -","- C37 H71 N7 Si Th -","- C148 H284 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0258","0.022","","","0.047","0.0491","","","","","","1.072","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548923","12.6373","0.0009","17.8743","0.0014","17.1544","0.0013","90","","90.033","0.003","90","","3874.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(ptolylNSiMe3)(BIMA)3","","- C34 H67 N7 Si Th -","- C34 H67 N7 Si Th -","- C136 H268 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.021","0.0153","","","0.0309","0.0335","","","","","","1.062","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548924","18.6971","0.0007","15.8036","0.0005","18.9111","0.0006","90","","103.688","0.002","90","","5429.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Th(THF)(BIMA)3][(BPh4)(THF)]","","- C56 H87 B N6 O2 Th -","- C56 H87 B N6 O2 Th -","- C224 H348 B4 N24 O8 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0267","0.0204","","","0.0407","0.0432","","","","","","1.068","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548925","12.1573","0.0013","18.4711","0.0018","16.3766","0.0018","90","","90.215","0.005","90","","3677.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(BIMA)3Th(μ-H)2[B(C8H14)]","","- C32 H67 B N6 Th -","- C32 H67 B N6 Th -","- C128 H268 B4 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0257","0.0207","","","0.0452","0.0467","","","","","","1.103","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548926","19.0249","0.0009","10.3942","0.0005","19.133","0.0009","90","","110.105","0.0018","90","","3553","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Th(CCtolyl)(BIMA)3","","- C33 H58 N6 Th -","- C33 H58 N6 Th -","- C132 H232 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.017","0.0148","","","0.032","0.0329","","","","","","1.102","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548927","22.5782","0.001","13.2908","0.0006","25.4828","0.0011","90","","100.332","0.002","90","","7522.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(PHMes)(BIMA)3","","- C33 H63 N6 P Th -","- C33 H63 N6 P Th -","- C264 H504 N48 P8 Th8 -","8","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.036","0.0252","","","0.051","0.0549","","","","","","1.042","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548939","10.4794","0.0008","7.0464","0.0006","13.4791","0.001","90","","100.094","0.005","90","","979.92","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C44 H46 N2 O4 Si2 -","2","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0774","0.0596","","","0.1657","0.2024","","","","","","1.269","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1548940","9.4164","0.0003","11.6775","0.0004","17.207","0.0006","90","","90","","90","","1892.08","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0266","0.0266","","","0.0703","0.0703","","","","","","1.103","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1548941","12.9788","0.0003","15.9249","0.0002","18.4205","0.0004","77.6077","0.0015","73.186","0.0018","88.345","0.0014","3557.34","0.13","90","2","90","2","","","","","","","","11","P -1","-P 1","2","XBphos-Rh","LCAR666","","- C69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 Rh -","- C69.1736 H38.3472 B Cl2.3472 F28 I N O P2 Rh -","- C138.347 H76.6944 B2 Cl4.6944 F56 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.0998","0.0862","","","0.2044","0.2106","","","","","","1.179","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548942","12.9235","0.0009","15.961","0.0013","18.3296","0.0019","79.049","0.008","71.52","0.008","88.475","0.006","3518.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","LCAR780","","- C70.5 H46 B F24 I N O P2 Rh -","- C70.5 H46 B F24 I N O P2 Rh -","- C141 H92 B2 F48 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.1538","0.1068","","","0.3123","0.3366","","","","","","1.035","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548943","17.417","0.001","7.3299","0.0004","13.5997","0.0007","90","","95.37","0.002","90","","1728.58","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0866","0.0752","","","0.1895","0.1966","","","","","","1.061","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548944","13.9904","0.0006","8.4064","0.0003","21.36","0.0009","90","","104.491","0.001","90","","2432.21","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.061","0.0398","","","0.096","0.1141","","","","","","1.064","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548945","12.3308","0.0012","16.1714","0.0013","8.8646","0.0008","90","","94.241","0.004","90","","1762.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1059","0.0579","","","0.13","0.163","","","","","","1.035","","","","has coordinates,has disorder","228857","2020-10-21","18:00:00",""
"1548946","9.0836","0.0003","21.4854","0.0009","9.9912","0.0004","90","","92.112","0.001","90","","1948.61","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C84 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0708","0.0494","","","0.1195","0.1372","","","","","","1.059","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548947","9.8261","0.0004","13.6201","0.0005","16.2063","0.0005","90","","96.868","0.001","90","","2153.37","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C96 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0461","0.0377","","","0.0905","0.0989","","","","","","1.02","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548948","10.99","0.0011","9.6096","0.0009","29.66","0.003","90","","94.047","0.007","90","","3124.6","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C128 H144 N16 O24 S8 -","8","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1146","0.0592","","","0.1393","0.1623","","","","","","1.011","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548949","6.0422","0.0012","11.778","0.003","15.448","0.003","90","","90","","90","","1099.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F4 O -","- C12 H12 F4 O -","- C48 H48 F16 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0303","0.0295","","","0.0833","0.0841","","","","","","1.056","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548950","5.25889","0.00006","9.75241","0.00011","20.4698","0.0002","90","","90","","90","","1049.83","0.02","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C48 H56 F8 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0264","0.026","","","0.0705","0.0709","","","","","","1.086","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548951","13.5173","0.0003","5.57303","0.00015","27.4909","0.0009","90","","90.469","0.002","90","","2070.88","0.1","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.1345","0.1282","","","0.4485","0.4562","","","","","","2.205","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548952","10.536","0.003","19.983","0.006","10.272","0.003","90","","107.972","0.007","90","","2057.2","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0389","0.0359","","","0.1055","0.1078","","","","","","1.032","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548953","5.33024","0.00013","9.6528","0.0003","20.0332","0.0007","90","","90","","90","","1030.74","0.05","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F O -","- C12 H14.8 F O -","- C48 H59.2 F4 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0509","0.0496","","","0.1485","0.1496","","","","","","1.004","","","","has coordinates,has disorder","228853","2020-10-21","18:00:00",""
"1548954","21.247","0.0009","21.247","","11.2694","0.0005","90","","90","","120","","4405.8","0.3","291","2","291","2","","","","","","","","4","P 61","P 61","169","","3,3-dimethyl-2-(4-(methylsulfonyl)phenyl)non-4-yn-2-yl [1,1'-biphenyl]-4-carboxylate","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C186 H204 O24 S6 -","6","1","","Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J","Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration.","Chemical science","2018","9","13","3305","3312","10.1039/c7sc05123a","","","0.71073","MoKα","","0.0968","0.0638","","","0.1733","0.1943","","","","","","1.092","","","","has coordinates","228777","2020-10-21","18:00:00",""
"1548969","7.6914","0.0003","8.8535","0.0004","18.0798","0.0009","91.235","0.004","97.803","0.003","92.431","0.003","1218.2","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Xiong, Yaoyao; Vargas Jentzsch, Andreas; Osterrieth, Johannes W. M.; Sezgin, Erdinc; Sazanovich, Igor V.; Reglinski, Katharina; Galiani, Silvia; Parker, Anthony W.; Eggeling, Christian; Anderson, Harry L.","Spironaphthoxazine switchable dyes for biological imaging.","Chemical science","2018","9","11","3029","3040","10.1039/c8sc00130h","","","1.5418","CuKα","","0.0535","0.0407","","0.1168","0.1051","0.1166","","","","","","0.9898","","","","has coordinates","228854","2020-10-21","18:00:00",""
"1548970","21.138","0.002","21.616","0.002","21.948","0.002","118.123","0.005","106.659","0.006","99.169","0.006","7942","1.5","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.2733","0.1399","","","0.3574","0.4307","","","","","","1.343","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548971","19.692","0.0015","22.3708","0.0016","25.201","0.002","97.908","0.004","108.437","0.003","113.456","0.003","9208.2","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C365.84 H508.52 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.1265","0.09","","","0.2693","0.3069","","","","","","1.021","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548975","27.458","0.004","27.458","0.004","18.225","0.004","90","","90","","90","","13741","4","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying","A trichromatic MOF composite for multidimensional ratiometric luminescent sensing.","Chemical science","2018","9","11","2918","2926","10.1039/c8sc00021b","","","0.71073","synchrotron","","0.033","0.0323","","","0.0926","0.0931","","","","","","1.106","","","","has coordinates","228851","2020-10-21","18:00:00",""
"1548976","10.7604","0.0006","51.619","0.002","18.6745","0.0009","90","","98.394","0.003","90","","10261.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Zn-ortho-1-amide","","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C468 H348 F48 N52 O20 Zn8 -","8","2","","Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J.","Positional effects of second-sphere amide pendants on electrochemical CO<sub>2</sub> reduction catalyzed by iron porphyrins.","Chemical science","2018","9","11","2952","2960","10.1039/c7sc04682k","","","0.71073","MoKα","","0.1143","0.0856","","","0.1706","0.1825","","","","","","1.109","","","","has coordinates,has disorder","228855","2020-10-21","18:00:00",""
"1548977","15.1723","0.0003","15.1723","0.0003","12.0747","0.0004","90","","90","","90","","2779.58","0.12","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.4CD4","","","- C9.4 H4 D5.61 O5 V -","- C9.403 H4 D5.608 O5 V -","- C75.224 H32 D44.864 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548978","15.1668","0.0004","15.1668","0.0004","12.0716","0.0004","90","","90","","90","","2776.85","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.5C2D6","","","- C10.63 H4 D8.95 O5 V -","- C10.984 H4 D8.952 O5 V -","- C87.872 H32 D71.616 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548979","15.16316","0.00015","15.16316","0.00015","12.0746","0.0002","90","","90","","90","","2776.21","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0CD4","","","- C9.01 H4 D4.06 O5 V -","- C9.0132 H4 D4.0568 O5 V -","- C72.1056 H32 D32.4544 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548980","15.1613","0.0003","15.1613","0.0003","12.0687","0.0003","90","","90","","90","","2774.17","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300(V3)-1.0C2D2","","","- C10 H4 D2 O5 V -","- C10.008 H4 D2.008 O5 V -","- C80.064 H32 D16.064 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548981","15.1594","0.0003","15.1594","0.0003","12.071","0.0003","90","","90","","90","","2774.01","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D4","","","- C10.14 H4 D4.28 O5 V -","- C10.14 H4 D4.28 O5 V -","- C81.12 H32 D34.24 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548982","15.1661","0.0003","15.1661","0.0003","12.0725","0.0003","90","","90","","90","","2776.8","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D6","","","- C10.07 H4 D6.2 O5 V -","- C10.068 H4 D6.204 O5 V -","- C80.544 H32 D49.632 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548983","15.1457","0.0004","15.1457","0.0004","12.0519","0.0004","90","","90","","90","","2764.61","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.8C2D2","","","- C11.56 H4 D3.56 O5 V -","- C11.564 H4 D3.564 O5 V -","- C92.512 H32 D28.512 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548984","10.9621","0.0004","12.9672","0.0005","13.9252","0.0005","111.325","0.002","99.442","0.002","105.532","0.002","1699.54","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 B5 F30 K5 -","- C15 H10 B5 F30 K5 -","- C30 H20 B10 F60 K10 -","2","1","","Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.; Molander, Gary A.","Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies.","Chemical science","2018","9","12","3215","3220","10.1039/c7sc05420c","","","0.71073","MoKα","","0.032","0.0283","","","0.068","0.0704","","","","","","1.081","","","","has coordinates,has disorder","228863","2020-10-21","18:00:00",""
"1548989","6.861","0.003","10.695","0.004","23.818","0.01","90","","96.101","0.014","90","","1737.8","1.2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,8-dimethyl-4,8-diaza-12-oxatriangulenium hexafluorophosphate","","- C21 H15 F6 N2 O P -","- C21 H15 F6 N2 O P -","- C84 H60 F24 N8 O4 P4 -","4","0.5","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.1018","0.0695","","","0.2257","0.235","","","","","","1.228","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548990","8.4805","0.0005","8.5013","0.0004","14.7698","0.0008","74.017","0.002","89.013","0.002","64.503","0.002","917.65","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","12,12-dimethylbenzo[8,1]isochromeno[3,4,5,6-klmn]xanthenium hexafluorophosphate","","- C22 H15 F6 O2 P -","- C22 H15 F6 O2 P -","- C44 H30 F12 O4 P2 -","2","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0823","0.0436","","","0.0934","0.1063","","","","","","1.015","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548991","14.162","0.003","15.264","0.004","20.039","0.005","87.939","0.005","85.555","0.008","62.365","0.008","3826.1","1.6","122.4","","122.4","","","","","","","","","6","P -1","-P 1","2","","'8,12,12-trimethyl-8,12-dihydro-3a2H-benzo[8,1]isochromeno[3,4,5,6-klmn] acridinium hexafluorophosphate'","","- C23 H18 F6 N O P -","- C23 H18 F6 N O P -","- C184 H144 F48 N8 O8 P8 -","8","4","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.2891","0.2362","","","0.5448","0.5657","","","","","","2.056","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548992","14.5591","0.0008","21.6499","0.0015","13.0273","0.0009","90","","90","","90","","4106.2","0.5","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4,8,12,12-tetramethyl-8,12-dihydrobenzo[8,1]isoquinolino[3,4,5,6-klmn]acridinium hexafluorophosphate","","- C24 H21 F6 N2 P -","- C24 H21 F6 N2 P -","- C192 H168 F48 N16 P8 -","8","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0872","0.0435","","","0.0858","0.1015","","","","","","1.041","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548993","10.0222","0.0008","12.1506","0.0011","16.0254","0.0014","69.063","0.004","75.075","0.004","81.389","0.004","1757.6","0.3","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","","","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C70 H70 Cl4 F6 N16 Ni2 O6 S2 -","2","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0375","0.0288","","","0.0711","0.0755","","","","","","1.032","","","","has coordinates,has disorder","228776","2020-10-21","18:00:00",""
"1548994","17.6983","0.0015","6.2954","0.0006","17.442","0.0015","90","","102.677","0.003","90","","1896","0.3","135","","135","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N -","- C22 H35 N -","- C88 H140 N4 -","4","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0445","0.0392","","","0.0964","0.1002","","","","","","1.061","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1548995","10.1802","0.0007","20.4136","0.0017","26.689","0.002","90","","90","","90","","5546.4","0.7","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N8 Ni -","- C33 H33 N8 Ni -","- C264 H264 N64 Ni8 -","8","2","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.041","0.0308","","","0.0692","0.0711","","","","","","0.946","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1548996","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548997","16.8152","0.0003","15.0512","0.0003","17.5637","0.0004","90","","90","","90","","4445.18","0.16","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C200 H176 F24 N8 O24 S8 -","8","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0447","","","","0.1214","","","","","","1.135","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548998","16.8716","0.0004","7.8975","0.0002","16.7075","0.0005","90","","90.3044","0.001","90","","2226.13","0.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N O4 S -","- C25 H22 F3 N O4 S -","- C100 H88 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0343","","","","0.0928","","","","","","1.052","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548999","14.6966","0.0003","9.1174","0.00017","17.3812","0.0004","90","","116.062","0.0007","90","","2092.17","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 N O4 S -","- C23 H20 F3 N O4 S -","- C92 H80 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.035","","","","0.1015","","","","","","1.096","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1549003","9.746","0.002","25.413","0.003","11.319","0.002","90","","105.55","0.02","90","","2700.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Li2 N6 -","- C28 H44 Li2 N6 -","- C112 H176 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0502","0.0427","","","0.1126","0.1184","","","","","","1.062","","","","has coordinates,has disorder","228867","2020-10-21","18:00:00",""
"1549004","12.7937","0.0003","9.7101","0.0003","18.6728","0.0005","90","","94.3121","0.001","90","","2313.12","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Li2 N6 -","- C20 H36 Li2 N6 -","- C80 H144 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.025","0.025","","","","0.026","0.022","","","","","1.577","","","","has coordinates","228867","2020-10-21","18:00:00",""
"1549005","13.864","0.003","30.46","0.003","9.851","0.002","90","","105.18","0.02","90","","4014.9","1.3","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Li2 N6 -","- C40 H68 Li2 N6 -","- C160 H272 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0652","0.0452","","","0.1054","0.117","","","","","","1.049","","","","has coordinates,has disorder","228867","2020-10-21","18:00:00",""
"1549011","15.9555","0.0008","11.5878","0.0004","17.1391","0.0008","90","","116.061","0.006","90","","2846.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl F6 N2 P Rh -","- C27 H29 Cl F6 N2 P Rh -","- C108 H116 Cl4 F24 N8 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0489","0.0378","","","0.0925","0.0999","","","","","","1.027","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549012","12.9507","0.0009","8.31","0.0007","10.5094","0.0008","90","","90","","90","","1131.02","0.15","296","2","296","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C20 H23 Cl F6 N2 P Rh -","- C20 H23 Cl F6 N2 P Rh -","- C40 H46 Cl2 F12 N4 P2 Rh2 -","2","0.5","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0328","0.0303","","","0.0719","0.0758","","","","","","1.047","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549013","8.51582","0.00016","13.5384","0.0004","14.2569","0.0003","94.5969","0.0019","92.9146","0.0016","92.6758","0.0018","1634.15","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H37 Cl F6 N2 O2 P Rh -","- C31 H37 Cl F6 N2 O2 P Rh -","- C62 H74 Cl2 F12 N4 O4 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.051","0.0382","","","0.0766","0.0832","","","","","","1.033","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549014","8.7508","0.0004","14.4955","0.0006","14.5101","0.0006","84.91","0.003","74.415","0.004","82.382","0.003","1754.53","0.14","568","2","568","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H35 Cl F6 N2 O P Rh -","- C36 H35 Cl F6 N2 O P Rh -","- C72 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0504","0.0415","","","0.1089","0.1162","","","","","","1.038","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549015","9.84864","0.00019","10.1712","0.0003","16.1627","0.0003","101.363","0.002","90.9323","0.0017","109.801","0.002","1487.41","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F12 N3 O0.5 P2 Rh -","- C25 H28 F12 N3 O0.5 P2 Rh -","- C50 H56 F24 N6 O P4 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0532","0.0482","","","0.1226","0.1266","","","","","","1.04","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549016","8.0233","0.0004","28.1842","0.0013","16.1096","0.0008","90","","94.393","0.004","90","","3632.2","0.3","150","0.1","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl F6 N2 O P Rh -","- C36 H39 Cl F6 N2 O P Rh -","- C144 H156 Cl4 F24 N8 O4 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.1198","0.0706","","","0.1633","0.1915","","","","","","1.025","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549017","8.40215","0.00019","12.9603","0.0003","15.392","0.0004","80","0.002","86.442","0.002","86.175","0.002","1644.79","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H35 Cl F6 N2 O P Rh -","- C34 H35 Cl F6 N2 O P Rh -","- C68 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0883","0.0897","","","","","","1.051","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549018","8.20707","0.00008","10.08952","0.00012","17.2032","0.0003","82.3397","0.0011","81.4575","0.0011","84.0175","0.0009","1390.95","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H29 Cl F6 N2 O P Rh -","- C28 H29 Cl F6 N2 O P Rh -","- C56 H58 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.0353","0.0281","","","0.0642","0.0681","","","","","","1.057","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549020","12.6727","0.0018","15.398","0.003","11.9061","0.0015","90","","110.633","0.006","90","","2174.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O3 S -","- C27 H20 N2 O3 S -","- C108 H80 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0929","0.0508","","","0.1309","0.1574","","","","","","0.917","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549021","7.089","0.008","7.256","0.008","13.569","0.015","85.46","0.03","77.9","0.03","70.37","0.03","642.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C30 H22 N2 O6 S2 -","2","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.119","0.0577","","","0.1364","0.1751","","","","","","0.812","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549022","25.719","0.007","7.5368","0.0018","11.759","0.003","90","","116.39","0.01","90","","2041.8","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H18 N2 O3 S -","- C27 H18 N2 O3 S -","- C108 H72 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.1027","0.0521","","","0.1205","0.1454","","","","","","0.887","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549023","8.172","0.003","9.666","0.003","20.305","0.007","90","","99.512","0.011","90","","1581.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0762","0.0469","","","0.1295","0.1534","","","","","","1.015","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549029","19.9066","0.0006","19.9066","0.0006","16.1991","0.0009","90","","90","","90","","6419.3","0.4","150.02","0.1","150.02","0.1","","","","","","","","7","I 4","I 4","79","","","","- C86 H162 Co Cr7 F8 N O33 -","- C86 H156 Co Cr7 F8 N O33 -","- C172 H312 Co2 Cr14 F16 N2 O66 -","2","0.25","","Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano","Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions.","Chemical science","2018","9","14","3555","3562","10.1039/c8sc00163d","","x-ray","0.71073","MoKα","","0.0839","0.0675","","","0.1852","0.2016","","","","","","1.051","","","","has coordinates,has disorder","228781","2020-10-21","18:00:00",""
"1549035","12.37","0.003","8.1257","0.0014","9.943","0.0018","90","","97.638","0.006","90","","990.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N3 O10 P -","- C3 H6 N3 O10 P -","- C12 H24 N12 O40 P4 -","4","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0944","0.0802","","","0.1749","0.1819","","","","","","0.871","","","","has coordinates","228815","2020-10-21","18:00:00",""
"1549036","7.6451","0.0014","7.8238","0.0017","8.9723","0.0015","100.557","0.019","96.753","0.019","114.76","0.014","467.59","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N3 O9 -","- C4 H7 N3 O9 -","- C8 H14 N6 O18 -","2","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0935","0.0738","","","0.1798","0.2054","","","","","","0.979","","","","has coordinates","228815","2020-10-21","18:00:00",""
"1549042","19.5805","0.0002","9.7595","0.0001","8.9644","0.0001","90","","103.158","0.0012","90","","1668.08","0.03","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F4 N2 O -","- C17 H19 B F4 N2 O -","- C68 H76 B4 F16 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0399","0.0361","","0.0971","0.0942","0.0971","","","","","","0.9896","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549043","9.49835","0.00014","11.89113","0.00017","22.8675","0.0003","90","","90","","90","","2582.8","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0281","0.0272","","0.0713","0.0703","0.0713","","","","","","0.992","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549044","5.40542","0.00018","6.94898","0.00018","16.0701","0.0004","90","","95.864","0.003","90","","600.47","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C20 H32 I2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0278","0.0254","","","0.0629","0.0642","","","","","","1.075","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549045","15.1489","0.0004","13.2904","0.0004","24.594","0.0008","90","","97.293","0.003","90","","4911.6","0.3","159.95","0.1","159.95","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H66 Cl2 N10 O16 -","- C40 H66 Cl2 N10 O16 -","- C160 H264 Cl8 N40 O64 -","4","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1208","0.125","","","","","","1.07","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549046","18.7661","0.0005","8.8339","0.0002","9.6084","0.0003","90","","100.318","0.003","90","","1567.1","0.07","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N2 O -","- C17 H19 Cl N2 O -","- C68 H76 Cl4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0406","0.0381","","0.0965","0.0949","0.0965","","","","","","0.9683","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549047","7.10113","0.0001","13.625","0.0002","20.6821","0.0003","90","","91.5054","0.0012","90","","2000.36","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N5 O3 -","- C19 H24 Cl N5 O3 -","- C76 H96 Cl4 N20 O12 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0456","0.0408","","","0.1095","0.1143","","","","","","1.032","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549048","13.5545","0.0002","5.84781","0.00007","14.1657","0.0002","90","","110.071","0.002","90","","1054.64","0.03","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H32 N2 O6 -","- C22 H32 N2 O6 -","- C44 H64 N4 O12 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0418","0.0337","","","0.0811","0.0864","","","","","","1.05","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549049","24.3732","0.0002","10.4084","0.0001","9.9932","0.0001","90","","93.1701","0.0009","90","","2531.26","0.04","160","","160","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F18 K N3 P2 S -","- C14 H18 F18 K N3 P2 S -","- C56 H72 F72 K4 N12 P8 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0496","0.0441","","0.1087","0.1053","0.1087","","","","","","1.0134","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549050","8.6454","0.0001","9.463","0.0001","20.0392","0.0002","90","","96.753","0.0009","90","","1628.06","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O8 S -","- C34 H42 N4 O8 S -","- C68 H84 N8 O16 S2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0441","0.0417","","0.1063","0.1038","0.1063","","","","","","0.954","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549051","20.7561","0.0002","9.5134","0.0001","8.5352","0.0001","90","","96.5078","0.0009","90","","1674.51","0.03","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N2 O5 P -","- C17 H21 N2 O5 P -","- C68 H84 N8 O20 P4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0312","0.0294","","0.0761","0.075","0.0761","","","","","","0.9648","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549052","10.9874","0.0001","14.2737","0.0001","23.2106","0.0001","90","","90.2783","0.0005","90","","3640.1","0.04","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br F6 N3 S -","- C14 H18 Br F6 N3 S -","- C112 H144 Br8 F48 N24 S8 -","8","2","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0233","0.0224","","0.0565","0.056","0.0565","","","","","","1.001","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549053","8.81","0.0001","9.7133","0.0002","21.7147","0.0004","90","","100.169","0.0016","90","","1829.03","0.06","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48.7 N4 O11.35 -","- C38 H48 N4 O11.348 -","- C76 H96 N8 O22.696 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0451","0.0411","","","0.1118","0.1144","","","","","","1.049","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549054","19.8981","0.0007","8.0213","0.0002","10.8806","0.0003","90","","100.435","0.003","90","","1707.92","0.09","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0401","0.0338","","0.0873","0.0819","0.0873","","","","","","0.977","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549055","19.6674","0.0003","8.1224","0.0001","10.8447","0.0002","90","","105.289","0.0016","90","","1671.09","0.05","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C68 H76 I4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0246","0.0226","","0.0622","0.0605","0.0622","","","","","","0.9797","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549056","7.32726","0.00012","18.9411","0.0003","25.6662","0.0005","90","","90","","90","","3562.12","0.11","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C120 H192 I12 N12 O12 -","12","3","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0258","0.0225","","","0.0472","0.048","","","","","","1.067","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549057","7.2565","0.0003","6.1232","0.0003","12.557","0.0006","90","","102.256","0.005","90","","545.23","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O -","- C10 H16 Cl N O -","- C20 H32 Cl2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","0.71073","MoKα","","0.0338","0.0302","","","0.0722","0.0737","","","","","","1.059","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549058","6.09862","0.00006","7.52704","0.00009","27.3811","0.0003","90","","90","","90","","1256.92","0.02","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O S -","- C11 H16 N2 O S -","- C44 H64 N8 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0267","0.0258","","","0.0672","0.0676","","","","","","1.048","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549059","22.3684","0.0007","8.4156","0.0001","15.6852","0.0004","90","","130.585","0.005","90","","2242.36","0.19","160","","160","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H46 N4 O16 Sb2 -","- C42 H46 N4 O16 Sb2 -","- C84 H92 N8 O32 Sb4 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0458","0.0453","","0.1194","0.1189","0.1194","","","","","","0.9417","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549060","10.1433","0.0004","18.6189","0.0006","14.0467","0.0005","90","","99.569","0.003","90","","2615.91","0.16","160","","160","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0721","0.0578","","0.148","0.1365","0.1478","","","","","","1.0133","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549061","7.4467","0.0002","6.20961","0.00016","12.5863","0.0004","90","","101.176","0.003","90","","570.97","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Br N O -","- C10 H16 Br N O -","- C20 H32 Br2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.038","0.0303","","","0.0716","0.0749","","","","","","1.045","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549062","9.0081","0.0001","9.3218","0.0001","19.4957","0.0002","90","","95.351","0.0009","90","","1629.95","0.03","160","","160","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O8 -","- C36 H38 N4 O8 -","- C72 H76 N8 O16 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0356","0.0344","","0.0984","0.0973","0.0984","","","","","","0.9838","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549063","12.9279","0.0002","12.5457","0.00015","13.139","0.00015","90","","109.843","0.0012","90","","2004.48","0.05","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl I N5 O -","- C19 H23 Cl I N5 O -","- C76 H92 Cl4 I4 N20 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0527","0.0336","","","0.0626","0.0684","","","","","","1.025","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549068","15.3025","0.0006","16.0955","0.0006","22.2445","0.0009","94.998","0.002","108.991","0.002","92.221","0.002","5147.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C140.5 H113.5 Cl5.5 O1.5 -","- C119 H94 Cl2 O -","- C238 H188 Cl4 O2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.1171","0.0996","","","0.2829","0.3003","","","","","","1.054","","","","has coordinates","228750","2020-10-21","18:00:00",""
"1549069","14.3675","0.0008","17.3718","0.0011","18.9206","0.0012","67.525","0.003","86.143","0.003","89.598","0.003","4352.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H103 F3 O4 S -","- C116 H103 F3 O4 S -","- C232 H206 F6 O8 S2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.0872","0.072","","","0.1869","0.2004","","","","","","1.036","","","","has coordinates","228750","2020-10-21","18:00:00",""
"1549080","15.4892","0.0008","7.8471","0.0004","15.5804","0.0009","90","","114.831","0.007","90","","1718.65","0.19","153","7","153","7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CX11","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","1","","Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.","Mechano-induced persistent room-temperature phosphorescence from purely organic molecules.","Chemical science","2018","9","15","3782","3787","10.1039/c8sc00429c","","","1.54184","CuKα","","0.0454","0.0361","","","0.0896","0.0959","","","","","","1.107","","","","has coordinates","228813","2020-10-21","18:00:00",""
"1549081","21.5605","0.0015","26.1802","0.0019","19.2608","0.0013","90","","90","","90","","10871.9","1.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H83 B2 Li O4 -","- C57 H83 B2 Li O4 -","- C456 H664 B16 Li8 O32 -","8","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2038","0.086","","","0.1598","0.2033","","","","","","0.946","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549082","10.7242","0.0012","21.4641","0.0016","24.027","0.003","90","","97.208","0.009","90","","5487","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H85 B2 Li O4 -","- C56 H85 B2 Li O4 -","- C224 H340 B8 Li4 O16 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2251","0.1344","","","0.2573","0.2877","","","","","","1.443","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549083","5.974","0.0009","14.639","0.002","21.461","0.003","82.273","0.012","89.91","0.012","86.79","0.012","1856.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 B2 -","- C44 H56 B2 -","- C88 H112 B4 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.7107","MoKα","","0.185","0.088","","","0.1686","0.1839","","","","","","1.207","","","","has coordinates","228816","2020-10-21","18:00:00",""
"1549084","12.9451","0.0008","18.3459","0.0007","27.0962","0.0017","90","","101.393","0.005","90","","6308.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H98 B2 Li2 O7 -","- C66 H98 B2 Li2 O7 -","- C264 H392 B8 Li8 O28 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1447","0.0785","","","0.1585","0.1797","","","","","","1.134","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549085","14.775","0.001","19.9973","0.001","17.9098","0.0012","90","","109.105","0.005","90","","5000.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H75 B2 Li O3 -","- C53 H75 B2 Li O3 -","- C212 H300 B8 Li4 O12 -","4","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1458","0.0712","","","0.1404","0.167","","","","","","0.91","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549086","12.2698","0.001","43.946","0.003","21.961","0.002","90","","90","","90","","11841.6","1.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C61 H90 B2 Cl Li O8 -","- C61 H90 B2 Cl Li O8 -","- C488 H720 B16 Cl8 Li8 O64 -","8","0.5","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1296","0.0854","","","0.1603","0.178","","","","","","1.121","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549087","19.497","0.0015","24.7864","0.0018","23.972","0.002","90","","92.463","0.007","90","","11574","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 B2 Li O4 -","- C63 H87 B2 Li O4 -","- C504 H696 B16 Li8 O32 -","8","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2818","0.121","","","0.207","0.2432","","","","","","1.302","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549088","41.344","0.003","14.272","0.0012","6.1349","0.0005","90","","90","","90","","3620","0.5","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C43 H54 B2 -","- C43 H54 B2 -","- C172 H216 B8 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1448","0.0673","","","0.1049","0.1282","","","","","","0.84","","","","has coordinates","228816","2020-10-21","18:00:00",""
"1549089","10.4041","0.0003","11.5484","0.0003","25.736","0.0007","79.323","0.002","85.313","0.002","81.22","0.002","2998.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H84 B2 O -","- C70 H84 B2 O -","- C140 H168 B4 O2 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.0782","0.0673","","","0.1755","0.1838","","","","","","1.037","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549094","7.7604","0.0008","5.9132","0.0006","49.45","0.004","90","","95.879","0.009","90","","2257.3","0.4","95","","95","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0641","0.052","","0.0707","0.0619","0.0652","","","","","","1.116","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549095","7.856","0.0007","5.8413","0.0006","49.561","0.004","90","","95.46","0.008","90","","2264","0.4","135","","135","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0391","0.0339","","0.084","0.0776","0.0813","","","","","","0.9222","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549096","8.0891","0.0006","5.7282","0.0004","49.849","0.004","90","","94.255","0.006","90","","2303.4","0.3","215","","215","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0373","0.0325","","0.0773","0.0711","0.0736","","","","","","0.8551","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549097","7.9306","0.0005","5.8288","0.0004","49.645","0.003","90","","95.171","0.005","90","","2285.5","0.3","155","","155","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0442","0.0354","","0.0625","0.0519","0.0545","","","","","","0.9734","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549098","7.9631","0.0006","5.8073","0.0004","49.723","0.003","90","","94.85","0.006","90","","2291.2","0.3","175","","175","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0353","","0.0868","0.0809","0.0848","","","","","","0.8841","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549099","8.3546","0.0005","5.6236","0.0003","50.168","0.003","90","","93.146","0.005","90","","2353.5","0.2","275","","275","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0471","0.0368","","0.0603","0.0541","0.0575","","","","","","0.9597","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549100","8.0248","0.0006","5.7688","0.0005","49.827","0.004","90","","94.591","0.007","90","","2299.3","0.3","195","","195","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0366","0.0326","","0.0667","0.0603","0.0624","","","","","","0.9514","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549101","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0407","0.0361","","0.0972","0.0876","0.0915","","","","","","0.7832","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549102","7.8186","0.0005","5.8811","0.0003","49.458","0.003","90","","95.762","0.006","90","","2262.7","0.2","115","","115","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0326","0.0296","","0.0651","0.0624","0.0639","","","","","","0.9209","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549103","8.1615","0.0007","5.6918","0.0005","49.87","0.004","90","","93.819","0.007","90","","2311.5","0.3","235","","235","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0394","0.0339","","0.083","0.0778","0.0804","","","","","","0.8332","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549104","8.2606","0.0006","5.6541","0.0003","49.944","0.003","90","","93.621","0.006","90","","2328","0.3","255","","255","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0359","","0.0696","0.063","0.066","","","","","","0.988","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549107","11.059","0.0005","12.1681","0.0006","15.1847","0.0008","75.96","0.003","89.526","0.002","89.997","0.002","1982.25","0.17","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Br2 F4 Ni2 P4 -","- C30 H60 Br2 F4 Ni2 P4 -","- C60 H120 Br4 F8 Ni4 P8 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71073","MoKα","","0.0283","0.0252","","0.0627","0.0609","0.0627","","","","","","1.0189","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549108","8.0074","0.0004","11.3665","0.0004","12.9665","0.0005","90","","94.616","0.004","90","","1176.33","0.09","199.8","1","199.8","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0783","0.0801","","","","","","1.035","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549109","7.8675","0.0005","11.3291","0.0003","12.9347","0.0006","90","","94.392","0.005","90","","1149.51","0.1","110.05","0.1","110.05","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0266","0.0255","","","0.0592","0.0595","","","","","","1.058","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549110","8.13398","0.00018","8.13398","0.00018","31.6136","0.001","90","","90","","90","","2091.61","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C18 H30 F4 Ni P2 -","- C18 H30 F4 Ni P2 -","- C72 H120 F16 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0637","0.0549","","","0.086","0.089","","","","","","1.21","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549111","12.6196","0.0002","14.8011","0.0004","13.2994","0.0002","90","","90","","90","","2484.11","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","Vargini's Ni(I)(PEt3)2(C6F4I)","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.022","0.0204","","","0.0434","0.0447","","","","","","1.065","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549112","14.0519","0.0002","14.4485","0.0003","24.3473","0.0005","90","","90","","90","","4943.2","0.16","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0429","0.029","","","0.0534","0.0593","","","","","","1.118","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549113","9.9032","0.0003","16.1922","0.0006","15.2884","0.0007","90","","93.913","0.004","90","","2445.85","0.16","110.1","0.2","110.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0816","0.0578","","","0.1011","0.1088","","","","","","1.22","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549114","9.4116","0.0005","12.701","0.0008","9.727","0.0005","90","","95.377","0.005","90","","1157.62","0.11","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0846","0.0876","","","","","","0.992","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549115","7.892","0.0005","11.3325","0.0004","12.9439","0.0005","90","","94.434","0.005","90","","1154.19","0.1","111","2","111","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0364","0.0312","","","0.0611","0.0622","","","","","","0.969","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549116","9.95341","0.00011","16.0611","0.0002","15.04577","0.00013","90","","97.0034","0.0009","90","","2387.31","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C72 H120 Cl4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71","MoKα","","0.0343","0.0254","","","0.0496","0.0537","","","","","","1.031","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549117","9.95422","0.00018","16.0712","0.0003","15.0877","0.0003","90","","95.7803","0.0019","90","","2401.4","0.08","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Br F4 I Ni P2 -","- C18 H30 Br F4 I Ni P2 -","- C72 H120 Br4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0435","0.0277","","","0.0543","0.0601","","","","","","1.049","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549118","17.1652","0.0015","8.5185","0.0013","16.935","0.002","90","","96.803","0.01","90","","2458.8","0.5","240","0.14","240","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C72 H120 F20 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0769","0.0559","","","0.1623","0.1825","","","","","","1.077","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549119","9.2736","0.0002","13.2118","0.0003","9.817","0.0002","90","","95.22","0.002","90","","1197.8","0.04","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C36 H60 Cl2 F8 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0288","","","0.0636","0.0655","","","","","","1.023","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549120","7.8141","0.0003","12.9211","0.0004","14.7784","0.0005","76.749","0.003","79.7","0.003","76.748","0.003","1401.12","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F4 I2 Ni P2 -","- C26 H30 F4 I2 Ni P2 -","- C52 H60 F8 I4 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.031","0.0248","","","0.0526","0.0566","","","","","","0.948","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549121","12.19004","0.00019","28.0191","0.0005","14.2344","0.0002","90","","91.6129","0.0013","90","","4859.89","0.13","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","2","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","1.54184","CuKα","","0.0429","0.0358","","","0.0858","0.0904","","","","","","1.027","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549122","17.9956","0.0003","14.2843","0.0002","23.6299","0.0003","90","","111.37","0.001","90","","5656.57","0.15","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Fe N6 O4 P2 -","- C69 H54 Fe N6 O4 P2 -","- C276 H216 Fe4 N24 O16 P8 -","4","1","","Lim, Jia Hui; Engelmann, Xenia; Corby, Sacha; Ganguly, Rakesh; Ray, Kallol; Soo, Han Sen","C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex.","Chemical science","2018","9","16","3992","4002","10.1039/c7sc05378a","","","1.54178","CuKα","","0.102","0.0852","","","0.2194","0.232","","","","","","1.065","","","","has coordinates,has disorder","228747","2020-10-21","18:00:00",""
"1549123","27.5449","0.0003","55.4159","0.0008","10.2412","0.0015","90","","90","","90","","15632","2","193","","193","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C62 H34 F12 Fe N6 P2 -","- C62 H34 F12 Fe N6 P2 -","- C496 H272 F96 Fe8 N48 P16 -","8","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0399","0.0366","","0.0455","0.0428","0.0419","","","","","","1.0494","","","","has coordinates","228817","2020-10-21","18:00:00",""
"1549124","16.392","0.0001","16.392","0.0001","21.9038","0.0002","90","","90","","90","","5885.5","0.07","123","","123","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C66 H44 F12 N6 O P2 Ru -","- C66 H44 F12 N6 O P2 Ru -","- C264 H176 F48 N24 O4 P8 Ru4 -","4","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0341","0.0335","","","0.0967","0.0974","","","","","","1.027","","","","has coordinates,has disorder","228817","2020-10-21","18:00:00",""
"1549133","6.6287","0.0003","16.4246","0.0008","21.5858","0.0011","90","","90","","90","","2350.1","0.2","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Au F6 N O Sb -","- C23 H23 Au F6 N O Sb -","- C92 H92 Au4 F24 N4 O4 Sb4 -","4","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0315","0.0262","","","0.0451","0.0466","","","","","","0.999","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549134","7.4651","0.0004","9.8244","0.0005","16.963","0.0009","98.935","0.002","91.454","0.002","106.868","0.002","1172.83","0.11","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H22 Au Cl4 N -","- C24 H22 Au Cl4 N -","- C48 H44 Au2 Cl8 N2 -","2","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0299","0.0247","","","0.0561","0.0583","","","","","","1.093","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549135","10.9502","0.0008","20.9614","0.0014","20.7528","0.0017","90","","97.766","0.006","90","","4719.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H62 N2 P2 -","- C55 H62 N2 P2 -","- C220 H248 N8 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1814","0.1016","","","0.2418","0.3141","","","","","","1.029","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549136","8.3846","0.0012","21.347","0.003","11.6195","0.0015","90","","111.081","0.009","90","","1940.5","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 P2 -","- C48 H52 P2 -","- C96 H104 P4 -","2","0.5","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0594","0.0421","","","0.1039","0.1147","","","","","","1.042","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549137","8.304","0.003","23.286","0.008","13.9","0.005","90","","90.34","0.02","90","","2687.8","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 N2 P -","- C31 H37 N2 P -","- C124 H148 N8 P4 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1245","0.0556","","","0.133","0.1634","","","","","","1.022","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549138","16.9466","0.0007","20.6986","0.0009","23.0289","0.001","90","","90","","90","","8077.9","0.6","151.25","","151.25","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C384 H416 O8 P16 -","8","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0822","0.0616","","","0.1624","0.1791","","","","","","1.025","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549139","16.228","0.0018","16.3739","0.0019","17.6769","0.0019","90","","93.71","0.008","90","","4687.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H64 N2 O P2 -","- C55 H64 N2 O P2 -","- C220 H256 N8 O4 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1117","0.0549","","","0.1173","0.1454","","","","","","1.012","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549140","10.6269","0.0003","14.921","0.0005","17.4851","0.0007","108.065","0.003","102.085","0.003","91.766","0.002","2563.72","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","7,7'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2-phenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) and pyrene","","- C65 H42 F6 N4 O11 -","- C65 H42 F6 N4 O11 -","- C130 H84 F12 N8 O22 -","2","1","","Shaw, John S.; Vaiyapuri, Rajendran; Parker, Matthew P.; Murray, Claire A.; Lim, Kate J. C.; Pan, Cong; Knappert, Marcus; Cardin, Christine J.; Greenland, Barnaby W.; Grau-Crespo, Ricardo; Colquhoun, Howard M.","Elements of fractal geometry in the <sup>1</sup>H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set.","Chemical science","2018","9","17","4052","4061","10.1039/c8sc00830b","","","1.54184","CuKα","","0.0616","0.0516","","0.0999","0.0927","0.0999","","","","","","0.9721","","","","has coordinates,has disorder","228721","2020-10-21","18:00:00",""
"1549141","22.653","0.002","8.3251","0.0007","15.2916","0.0013","90","","107.682","0.003","90","","2747.6","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 B N2 -","- C34 H37 B N2 -","- C136 H148 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1462","0.0642","","","0.1199","0.1471","","","","","","1.014","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549142","7.925","0.0004","21.8524","0.0008","16.0075","0.0006","90","","98.766","0.002","90","","2739.8","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1264","0.0861","","","0.2213","0.2442","","","","","","1.15","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549143","10.294","0.003","11.896","0.004","13.128","0.005","66.239","0.011","88.621","0.011","75.243","0.012","1417.2","0.8","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C68 H78 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1333","0.0671","","","0.1647","0.2045","","","","","","1.036","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549144","8.41","0.005","34.22","0.02","10.14","0.007","90","","97.87","0.02","90","","2891","3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C136 H156 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1708","0.0729","","","0.1755","0.2124","","","","","","1.03","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549145","7.9779","0.0004","21.8456","0.0011","15.7662","0.0008","90","","98.411","0.002","90","","2718.2","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1222","0.0642","","","0.1418","0.1665","","","","","","1.019","","","","has coordinates,has disorder","228811","2020-10-21","18:00:00",""
"1549146","7.2959","0.0003","22.3592","0.0008","17.984","0.0007","90","","92.626","0.002","90","","2930.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 B N O -","- C35 H40 B N O -","- C140 H160 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1","0.0628","","","0.1449","0.1614","","","","","","1.051","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549147","8.1029","0.0004","11.3778","0.0006","18.5298","0.0011","87.821","0.002","85.222","0.002","71.032","0.002","1609.84","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H43 B N2 -","- C39 H43 B N2 -","- C78 H86 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1148","0.0625","","","0.153","0.1761","","","","","","1.074","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549148","32.54","0.04","9.129","0.01","9.286","0.012","90","","90","","90","","2758","6","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H34 B N S -","- C32 H34 B N S -","- C128 H136 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1957","0.0801","","","0.1818","0.2266","","","","","","1.004","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549149","7.868","0.002","12.043","0.004","16.695","0.005","69.575","0.008","77.359","0.008","76.219","0.009","1423.7","0.7","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 B N -","- C34 H38 B N -","- C68 H76 B2 N2 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.2064","0.09","","","0.1975","0.238","","","","","","1.032","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549150","11.4473","0.001","11.8684","0.0011","15.9919","0.0015","94.282","0.004","106.166","0.003","114.679","0.003","1850.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H49 B N2 -","- C45 H49 B N2 -","- C90 H98 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1533","0.0746","","","0.1766","0.2135","","","","","","0.972","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549151","22.112","0.006","8.318","0.002","15.429","0.004","90","","110.321","0.008","90","","2661.2","1.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 B N2 -","- C33 H35 B N2 -","- C132 H140 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1778","0.0973","","","0.212","0.2474","","","","","","1.059","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549152","11.8634","0.0007","11.878","0.0008","18.2134","0.0011","90","","92.179","0.002","90","","2564.7","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N -","- C31 H32 B N -","- C124 H128 B4 N4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.0841","0.0581","","","0.145","0.1595","","","","","","1.063","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549153","7.3461","0.0017","7.8073","0.0019","12.765","0.003","81.469","0.004","78.051","0.004","86.599","0.004","708","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H19 B10 N -","- C9 H19 B10 N -","- C18 H38 B20 N2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0995","0.0607","","","0.1541","0.1751","","","","","","0.977","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549154","12.4232","0.0005","14.9794","0.0006","13.9157","0.0005","90","","109.509","0.001","90","","2440.93","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 B10 Br2 N -","- C21 H25 B10 Br2 N -","- C84 H100 B40 Br8 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0327","0.0257","","","0.0619","0.0653","","","","","","1.053","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549155","18.1161","0.001","8.1173","0.0005","18.6508","0.0011","90","","113.681","0.002","90","","2511.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B10 F3 N O -","- C23 H26 B10 F3 N O -","- C92 H104 B40 F12 N4 O4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0571","0.0518","","","0.2127","0.2324","","","","","","1.118","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549156","8.0494","0.0007","15.8108","0.0012","20.486","0.002","90","","90","","90","","2607.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B10 N -","- C25 H35 B10 N -","- C100 H140 B40 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1101","0.062","","","0.1271","0.1429","","","","","","0.953","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549157","7.7385","0.0006","10.4142","0.0008","15.9824","0.0011","92.169","0.003","102.976","0.002","99.951","0.003","1232.3","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 B10 N2 O2 S -","- C21 H28 B10 N2 O2 S -","- C42 H56 B20 N4 O4 S2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0946","0.053","","","0.1212","0.1362","","","","","","0.893","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549158","10.5093","0.0006","22.2105","0.0013","15.7027","0.0007","90","","105.021","0.002","90","","3540","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 B10 N O P Pd -","- C34 H35 B10 N O P Pd -","- C136 H140 B40 N4 O4 P4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0792","0.0481","","","0.0984","0.109","","","","","","1","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549159","14.4456","0.0007","13.2757","0.0006","19.9354","0.0008","90","","90.292","0.002","90","","3823.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 B20 N2 O Pd -","- C25 H40 B20 N2 O Pd -","- C100 H160 B80 N8 O4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0947","0.0587","","","0.1535","0.174","","","","","","1.051","","","","has coordinates,has disorder","228748","2020-10-21","18:00:00",""
"1549160","17.6118","0.0012","12.1001","0.0009","20.3538","0.0016","90","","94.094","0.003","90","","4326.4","0.6","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 B10 N -","- C19 H31 B10 N -","- C152 H248 B80 N8 -","8","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1079","0.0589","","","0.1165","0.1303","","","","","","1.018","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549222","19.931","0.008","12.616","0.008","21.565","0.012","90","","109.346","0.014","90","","5116","5","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H37 N2 O2 P -","- C24 H37 N2 O2 P -","- C192 H296 N16 O16 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0571","0.0485","","","0.1339","0.1426","","","","","","1.033","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549223","8.3589","0.0017","16.491","0.003","18.049","0.004","90","","93.77","0.03","90","","2482.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N4 P -","- C24 H41 N4 P -","- C96 H164 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.1026","0.0798","","","0.1936","0.207","","","","","","1.086","","","","has coordinates,has disorder","228819","2020-10-21","18:00:00",""
"1549224","8.587","0.002","17.687","0.005","16.43","0.005","90","","99.539","0.006","90","","2460.9","1.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N2 O2 P -","- C26 H33 N2 O2 P -","- C104 H132 N8 O8 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0576","0.0494","","","0.1325","0.1385","","","","","","0.997","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549225","12.8565","0.0018","9.4531","0.0013","19.152","0.003","90","","96.382","0.004","90","","2313.2","0.6","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N4 P -","- C26 H31 N4 P -","- C104 H124 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0489","0.0432","","","0.1188","0.1248","","","","","","1.035","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549226","27.535","0.006","11.39","0.002","20.157","0.004","90","","129.45","0.03","90","","4881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H74 N4 O4 P2 -","- C48 H74 N4 O4 P2 -","- C192 H296 N16 O16 P8 -","4","0.5","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0838","0.0715","","","0.1978","0.2046","","","","","","1.111","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549227","9.2449","0.0012","21.052","0.003","20.977","0.003","90","","94.271","0.002","90","","4071.3","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N4 O4 P2 -","- C38 H54 N4 O4 P2 -","- C152 H216 N16 O16 P8 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0902","0.0749","","","0.2038","0.2112","","","","","","1.157","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549228","19.707","0.005","17.611","0.004","20.439","0.005","90","","90","","90","","7094","3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B N2 O5 P -","- C34 H50 B N2 O5 P -","- C272 H400 B8 N16 O40 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.067","0.0535","","","0.2029","0.2269","","","","","","0.96","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549236","11.269","0.0004","7.3358","0.0003","14.2605","0.0005","90","","101.418","0.001","90","","1155.54","0.07","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 B Br2 N -","- C27 H22 B Br2 N -","- C54 H44 B2 Br4 N2 -","2","1","","Zhang, Weidong; Li, Guoping; Xu, Letian; Zhuo, Yue; Wan, Wenming; Yan, Ni; He, Gang","9,10-Azaboraphenanthrene-containing small molecules and conjugated polymers: synthesis and their application in chemodosimeters for the ratiometric detection of fluoride ions.","Chemical science","2018","9","19","4444","4450","10.1039/c8sc00688a","","","0.71073","MoKα","","0.0304","0.0271","","","0.0646","0.0664","","","","","","1.051","","","","has coordinates","228743","2020-10-21","18:00:00",""
"1549237","12.0663","0.0006","10.1526","0.0005","18.2867","0.001","90","","103.196","0.002","90","","2181.05","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-(5-chloro-2-ethoxy-3-(isopropylthio)phenyl)-2-cyclohexylacetyl) oxazolidin-2-one","","- C22 H30 Cl N O4 S -","- C22 H30 Cl N O4 S -","- C88 H120 Cl4 N4 O16 S4 -","4","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.0497","0.0366","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549238","22.362","0.013","58.28","0.03","5.779","0.004","90","","90","","90","","7532","8","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(2-phenyl-2-(4-(phenylthio)phenyl)acetyl)oxazolidin-2-one","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C368 H304 N16 O48 S16 -","16","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.1154","0.0627","","","0.1219","0.1412","","","","","","1.018","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549239","11.7592","0.0013","10.1198","0.001","32.161","0.003","90","","90","","90","","3827.2","0.7","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(1-cyclohexyl-2-oxo-2-(2-oxooxazolidin-3-yl)ethyl)-2-(methylthio)phenyl acetate","","- C20 H25 N O5 S -","- C20 H25 N O5 S -","- C160 H200 N8 O40 S8 -","8","2","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","","0.71073","MoKα","","0.0457","0.0445","","","0.1147","0.1156","","","","","","1.081","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549244","14.617","0.007","14.759","0.007","21.243","0.01","90","","107.874","0.01","90","","4362","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cu F6 N3 Sb Si3 -","- C36 H56 Cu F6 N3 Sb Si3 -","- C144 H224 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.1162","0.0586","","","0.1179","0.1441","","","","","","1.01","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549245","13.3555","0.0016","13.9173","0.0016","18.181","0.002","90","","102.245","0.003","90","","3302.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cu F6 N2 Sb -","- C33 H42 Cu F6 N2 Sb -","- C132 H168 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0958","0.0516","","","0.0932","0.1086","","","","","","1.027","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549246","10.506","0.005","20.813","0.009","20.435","0.009","90","","104.638","0.01","90","","4323","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl2 Cu F6 N2 Sb -","- C40 H56 Cl2 Cu F6 N2 Sb -","- C160 H224 Cl8 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.125","0.0632","","","0.1003","0.1066","","","","","","1.971","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549247","13.605","0.004","14.057","0.004","21.79","0.008","90","","107.833","0.009","90","","3967","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H59 Cu F6 N3 Sb Si3 -","- C33 H59 Cu F6 N3 Sb Si3 -","- C132 H236 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0834","0.0382","","","0.0642","0.0772","","","","","","1.094","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549253","14.6519","0.0006","15.5746","0.0006","27.2406","0.001","90","","90","","90","","6216.2","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","MK402","","","- C26 H49 F3 Ir N2 O2 P2 -","- C26 H49 F3 Ir N2 O2 P2 -","- C208 H392 F24 Ir8 N16 O16 P16 -","8","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0278","0.0193","","","0.0362","0.0386","","","","","","1.031","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549254","11.2846","0.001","14.9634","0.0013","19.8058","0.0017","90","","92.013","0.003","90","","3342.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MK461","","","- C31 H55 Ir N2 O2 P2 -","- C31 H55 Ir N2 O2 P2 -","- C124 H220 Ir4 N8 O8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0696","0.0399","","","0.0642","0.0712","","","","","","1.073","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549255","11.0958","0.0006","15.4511","0.0008","16.0856","0.0009","90","","100.56","0.002","90","","2711","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MK352","","","- C24 H49 Ir N2 P2 -","- C24 H49 Ir N2 P2 -","- C96 H196 Ir4 N8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0253","0.0175","","","0.034","0.0374","","","","","","1.192","","","","has coordinates","228822","2020-10-21","18:00:00",""
"1549256","7.9728","0.0003","21.7175","0.0009","8.7383","0.0003","90","","113.559","0.001","90","","1386.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","MK 460","","","- C25 H49 Ir N2 O2 P2 -","- C25 H49 Ir N2 O2 P2 -","- C50 H98 Ir2 N4 O4 P4 -","2","0.5","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0272","0.0212","","","0.0369","0.038","","","","","","1.12","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549269","5.4738","0.0009","16.81","0.003","14.183","0.002","90","","95.627","0.007","90","","1298.8","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 Br N2 O3 -","- C28 H33 Br N2 O3 -","- C56 H66 Br2 N4 O6 -","2","1","","Hu, Qiupeng; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2018","9","18","4348","4351","10.1039/c8sc00808f","","","0.71075","MoKα","","0.0891","0.0596","","","0.128","0.1407","","","","","","1.018","","","","has coordinates","228821","2020-10-21","18:00:00",""
"1549270","12.0961","0.0004","12.0961","0.0004","30.6664","0.0011","90","","90","","120","","3885.8","0.2","130.01","0.1","130.01","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C192 H198 N6 O18 -","6","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","0.71073","MoKα","","0.0879","0.0546","","","0.1232","0.1439","","","","","","1.033","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1549271","10.2041","0.0002","12.0967","0.0002","10.8841","0.0002","90","","109.609","0.002","90","","1265.57","0.04","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C64 H66 N2 O6 -","2","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0738","0.0742","","","","","","1.081","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1549273","10.5101","0.0004","20.6596","0.0009","22.4637","0.0008","90","","90","","90","","4877.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Cl4 Cu2 O4 P4 -","- C45 H58 Cl4 Cu2 O4 P4 -","- C180 H232 Cl16 Cu8 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0343","0.0315","","","0.0802","0.0816","","","","","","1.037","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549274","13.69","0.0007","16.8264","0.0008","30.4315","0.0014","90","","90","","90","","7010","0.6","100","2","99.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C256 H368 Cl8 Cu8 N16 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0407","0.035","","","0.1064","0.1105","","","","","","1.06","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549275","28.898","0.003","11.2532","0.0009","21.7565","0.0019","90","","105.318","0.005","90","","6823.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 B F15 P -","- C36 H35 B F15 P -","- C288 H280 B8 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","1.54178","CuKα","","0.1662","0.1155","","","0.2947","0.3337","","","","","","1.019","","","","has coordinates","228833","2020-10-21","18:00:00",""
"1549276","10.9369","0.0002","12.602","0.0002","15.7611","0.0004","90.384","0.001","97.992","0.001","111.759","0.002","1993.92","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H33 B F15 O2 P S -","- C36 H33 B F15 O2 P S -","- C72 H66 B2 F30 O4 P2 S2 -","2","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0598","0.0496","","","0.1112","0.1175","","","","","","1.033","","","","has coordinates","228833","2020-10-21","18:00:00",""
"1549277","20.8497","0.0008","16.0333","0.0006","23.8954","0.0009","90","","90","","90","","7988","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 B Cl4 F15 P -","- C38 H37 B Cl4 F15 P -","- C304 H296 B8 Cl32 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0499","0.0405","","","0.0993","0.1073","","","","","","1.047","","","","has coordinates,has disorder","228833","2020-10-21","18:00:00",""
"1549278","9.5578","0.0012","20.653","0.002","8.4644","0.001","90","","108.514","0.006","90","","1584.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0953","0.0687","","","0.1679","0.1948","","","","","","1.049","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549279","7.6388","0.001","11.2206","0.0013","11.3511","0.0013","116.079","0.003","109.218","0.004","91.505","0.004","808.23","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C36 H40 Br2 N2 O2 -","2","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0258","0.0237","","","0.063","0.0643","","","","","","1.06","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549280","11.282","0.007","11.457","0.007","14.934","0.009","84.071","0.019","88.539","0.015","84.074","0.013","1910","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H19.5 Cl1.5 N O3 -","- C21.5 H19.5 Cl1.5 N O3 -","- C86 H78 Cl6 N4 O12 -","4","2","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0704","0.0451","","","0.0929","0.1031","","","","","","1.028","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549281","11.8837","0.001","10.0611","0.0007","19.6889","0.0016","90","","107.518","0.003","90","","2244.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0637","0.0513","","","0.1177","0.1254","","","","","","1.064","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549282","11.3925","0.0006","16.9868","0.0008","21.7195","0.0011","94.871","0.002","98.674","0.002","92.305","0.002","4134.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","CoTpAd,MeOTf","","- C43 H58 B Co F3 N6 O3 S -","- C43 H58 B Co F3 N6 O3 S -","- C172 H232 B4 Co4 F12 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","","0.71073","MoKα","","0.0646","0.0411","","","0.0979","0.1106","","","","","","1.03","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549283","10.4248","0.0007","12.9027","0.0009","15.4799","0.0011","101.302","0.002","105.089","0.002","113.446","0.002","1735.7","0.2","100","2","100","2","","","","","","","","9","P 1","P 1","1","","[CoTptBuPhIO][BArF4]","","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","1","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.029","0.0256","","","0.0518","0.0528","","","","","","1.036","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549284","10.4361","0.001","20.2414","0.0018","15.3862","0.0014","90","","91.209","0.003","90","","3249.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","CoTptBuOTf","CoTptBuOTf","","- C26 H44 B Co F3 N6 O4 S -","- C26 H44 B Co F3 N6 O4 S -","- C104 H176 B4 Co4 F12 N24 O16 S4 -","4","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.0337","0.0277","","","0.0648","0.0673","","","","","","1.045","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549285","14.2995","0.0009","16.0821","0.0011","38.551","0.003","95.079","0.002","97.357","0.002","97.863","0.002","8658.9","1.1","100","","100","2","","","","","","","","10","P -1","-P 1","2","","[CoTpAd,MePhIO][BArF4]","","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C338 H336 B8 Cl4 Co4 F96 I4 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1561","0.0887","","","0.161","0.1833","","","","","","1.068","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549286","13.018","0.003","17.299","0.004","19.933","0.004","69.338","0.004","77.588","0.005","78.279","0.005","4062","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","[CoTptBuPhIO2][BArF4]","","- C71 H77 B2 Co F24 I N6 O6 S -","- C71 H77 B2 Co F24 I N6 O6 S -","- C142 H154 B4 Co2 F48 I2 N12 O12 S2 -","2","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.41328","synchrotron","","0.067","0.0624","","","0.1946","0.199","","","","","","1.022","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549287","21.493","0.0017","22.3378","0.0019","38.715","0.003","90","","90","","90","","18587","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C93 H100 B2 Co F27 N8 O4 S -","- C93 H100 B2 Co F27 N8 O4 S -","- C744 H800 B16 Co8 F216 N64 O32 S8 -","8","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1568","0.1073","","","0.2609","0.2964","","","","","","1.023","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549288","8.3475","0.00016","10.314","0.0002","21.0732","0.0004","90","","90","","90","","1814.32","0.06","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0326","0.0285","","","0.069","0.0713","","","","","","1.003","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549289","18.1203","0.0005","6.99093","0.00014","19.2375","0.0005","90","","112.45","0.003","90","","2252.27","0.11","99.9","0.2","99.9","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.044","0.039","","","0.0954","0.0989","","","","","","1.001","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549290","11.90924","0.00015","17.5617","0.0002","9.90343","0.00013","90","","101.393","0.0013","90","","2030.45","0.04","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0369","0.0352","","","0.0869","0.0883","","","","","","1.004","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549291","14.1772","0.0003","10.8633","0.0002","14.2137","0.0003","90","","95.1137","0.0016","90","","2180.36","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0482","0.0371","","","0.1066","0.1132","","","","","","1.002","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549292","17.4337","0.0014","6.9903","0.0004","17.935","0.0012","90","","103.64","0.007","90","","2124","0.3","99.99","0.1","99.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.1085","0.0615","","","0.1268","0.1463","","","","","","1.003","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549293","18.2724","0.0017","19.5178","0.0015","18.301","0.002","90","","113.791","0.012","90","","5972.2","1.1","220.03","0.1","220.03","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 -","- C30 H22 -","- C360 H264 -","12","1.5","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.1205","0.0618","","","0.1076","0.1257","","","","","","1","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549294","7.396","0.0002","30.1314","0.0011","18.311","0.0007","90","","91.801","0.003","90","","4078.6","0.2","99.93","0.16","99.93","0.16","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 -","- C29 H24 -","- C232 H192 -","8","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0904","0.0571","","","0.1201","0.1345","","","","","","1.001","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549295","11.9827","0.0013","13.0612","0.0015","14.0684","0.0017","117.413","0.006","92.608","0.006","90.268","0.007","1951.7","0.4","296","2","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","","0.71073","MoKα","","0.0577","0.0501","","","0.1357","0.1427","","","","","","1.031","","","","has coordinates,has disorder","228763","2020-10-21","18:00:00",""
"1549296","14.6013","0.001","16.3421","0.001","18.0401","0.0011","90","","93.323","0.003","90","","4297.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cp""2Th(IV)AlanateChloride","Cp""2Th(IV)AlanateChloride","","- C36 H72 Al Cl Si3 Th -","- C36 H72 Al Cl Si3 Th -","- C144 H288 Al4 Cl4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.029","0.0254","","","0.0561","0.0583","","","","","","1.142","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549297","10.4534","0.0005","12.854","0.0006","17.8476","0.0008","72.09","0.002","79.893","0.002","66.898","0.002","2094.82","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Cp""2U(III)Alanate","Cp""2U(III)Alanate","","- C36 H72 Al Si3 U -","- C36 H72 Al Si3 U -","- C72 H144 Al2 Si6 U2 -","2","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.0204","0.0188","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549298","18.541","0.016","12.528","0.01","18.971","0.016","90","","105.644","0.009","90","","4243","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp""2Th(IV)AlanateHydride","Cp""2Th(IV)AlanateHydride","","- C36 H73 Al Si3 Th -","- C36 H73 Al Si3 Th -","- C144 H292 Al4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.0844","0.0477","","","0.084","0.0945","","","","","","1.034","","","","has coordinates","228824","2020-10-21","18:00:00",""
"1549299","12.933","0.008","12.816","0.008","13.179","0.008","90","","94.46","0.004","90","","2178","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cp""2Th(III)Alanate","Cp""2Th(III)Alanate","","- C36 H72 Al Si3 Th -","- C36 H72 Al Si2.9988 Th -","- C72 H144 Al2 Si5.9976 Th2 -","2","0.5","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.028","0.024","","","0.0571","0.0588","","","","","","1.059","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549300","14.01776","0.00012","11.68842","0.0001","18.61137","0.00019","90","","97.6225","0.0009","90","","3022.44","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 I2 N4 O2 -","- C62 H88 I2 N4 O2 -","- C124 H176 I4 N8 O4 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.026","0.022","","","0.0482","0.0499","","","","","","1.037","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549301","10.4185","0.0005","10.5244","0.0005","25.1966","0.0007","97.968","0.003","90.283","0.003","110.092","0.004","2565.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 N4 -","- C60 H80 N4 -","- C120 H160 N8 -","2","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0881","0.0716","","","0.2049","0.2208","","","","","","1.068","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549302","9.397","0.0003","11.5574","0.0005","15.1108","0.0006","70.87","0.004","84.424","0.003","76.36","0.003","1506.4","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 N4 O -","- C66 H84 N4 -","- C66 H84 N4 -","1","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0563","0.0483","","","0.1243","0.1314","","","","","","1.038","","","","has coordinates,has disorder","228645","2020-10-21","18:00:00",""
"1549303","9.3343","0.0002","17.7848","0.0003","20.1423","0.0004","90","","95.674","0.002","90","","3327.41","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.21 H96.87 Br2 N4 O3.22 -","- C69.218 H96.872 Br2 N4 O3.218 -","- C138.436 H193.744 Br4 N8 O6.436 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.0918","0.0733","","","0.1365","0.143","","","","","","1.173","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549304","7.463","0.0014","23.83","0.005","11.556","0.003","90","","101.301","0.018","90","","2015.3","0.8","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.1707","0.0688","","","0.162","0.2031","","","","","","0.935","","","","has coordinates","228826","2020-10-21","18:00:00",""
"1549305","7.1516","0.0004","8.5555","0.0005","16.6112","0.001","100.052","0.005","95.016","0.005","90.498","0.005","996.63","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C56 H36 N4 O2 -","2","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.085","0.0549","","","0.1342","0.1659","","","","","","1.044","","","","has coordinates","228826","2020-10-21","18:00:00",""
"1549306","30.0936","0.0007","30.0936","0.0007","39.3554","0.0013","90","","90","","90","","35641.2","1.7","190","1","190","1","","","","","","","","6","P 4/n :2","-P 4a","85","","cluster-1","","- C366 H508 Cd24 N24 O178 Tb8 -","- C366 H508 Cd24 N24 O178 Tb8 -","- C732 H1016 Cd48 N48 O356 Tb16 -","2","0.25","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.1763","0.0639","","","0.185","0.2384","","","","","","0.918","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549307","54.777","0.011","61.944","0.012","79.935","0.016","90","","90","","90","","271228","9","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C386 H560 Cd24 N24 O190 Tb8 -","- C386 H560 Cd24 N24 O190 Tb8 -","- C6176 H8960 Cd384 N384 O3040 Tb128 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2569","0.1275","","","0.3051","0.3226","","","","","","1.039","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549308","54.621","0.011","61.479","0.012","100.21","0.02","90","","90","","90","","336510","12","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C6856.16 H10105.6 Cd384 N384 O2732.96 Tb128 -","4","0.125","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2097","0.0959","","","0.2256","0.2463","","","","","","1.084","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549309","42.806","0.006","42.806","0.006","37.886","0.008","90","","90","","90","","69421","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C386 H500 Cd24 N24 O177 Tb8 -","- C386 H500 Cd24 N24 O177 Tb8 -","- C1544 H2000 Cd96 N96 O708 Tb32 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.161","0.0892","","","0.2151","0.2444","","","","","","1.107","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549310","11.5253","0.0008","16.1662","0.0011","16.7311","0.0012","81.943","0.001","88.463","0.001","69.635","0.001","2892.8","0.4","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H103 K Mn O14 -","- C50 H103 K Mn O14 -","- C100 H206 K2 Mn2 O28 -","2","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.0939","0.0489","","","0.0942","0.1088","","","","","","1.004","","","","has coordinates,has disorder","228741","2020-10-21","18:00:00",""
"1549311","11.3584","0.0005","17.2479","0.0008","29.111","0.0013","90","","91.552","0.0009","90","","5701","0.4","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H103 K Mn O13 -","- C50 H103 K Mn O13 -","- C200 H412 K4 Mn4 O52 -","4","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.118","0.083","","","0.2151","0.2413","","","","","","1.043","","","","has coordinates","228741","2020-10-21","18:00:00",""
"1549312","18.3234","0.0012","15.9361","0.001","16.771","0.0011","90","","122.093","0.001","90","","4148.8","0.5","100","2","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H79 K Mn O5 -","- C38 H79 K Mn O5 -","- C152 H316 K4 Mn4 O20 -","4","0.5","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.061","0.0517","","","0.1347","0.144","","","","","","1.031","","","","has coordinates,has disorder","228741","2020-10-21","18:00:00",""
"1549313","14.295","0.008","14.544","0.01","17.347","0.011","100.67","0.03","107.46","0.02","105.51","0.03","3174","4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-bis(phenylethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H46 B F24 Na O9 -","- C62 H46 B F24 Na O9 -","- C124 H92 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0734","0.0524","","","0.1185","0.1311","","","","","","1.029","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549314","19.142","0.004","24.665","0.005","26.029","0.006","90","","90","","90","","12289","5","150","2","149.96","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,9-diphenyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C58 H46 B F24 Na O9 -","- C58 H46 B F24 Na O9 -","- C464 H368 B8 F192 Na8 O72 -","8","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0734","0.0451","","","0.0953","0.1113","","","","","","1.017","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549315","20.158","0.005","17.085","0.005","20.698","0.006","90","","101.158","0.014","90","","6994","3","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,9-dibenzyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H52 B F30 Na O9 -","- C62 H52 B F30 Na O9 -","- C248 H208 B4 F120 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0998","0.0752","","","0.2112","0.2342","","","","","","1.036","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549316","13.9002","0.0003","14.0497","0.0003","21.1609","0.0005","101.417","0.0019","103.6","0.002","101.486","0.002","3804.07","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","1,9-bis((trimethylsilyl)ethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C65 H75 B F24 Na O9 Si2 -","- C65 H75 B F24 Na O9 Si2 -","- C130 H150 B2 F48 Na2 O18 Si4 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.1137","0.0704","","","0.1618","0.1836","","","","","","1.043","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549317","12.8768","0.0003","17.6754","0.0004","22.1097","0.0005","90","","90","","90","","5032.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C46 H38 B F24 Li O9 -","- C46 H38 B F24 Li O9 -","- C184 H152 B4 F96 Li4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.057","0.0411","","","0.085","0.0929","","","","","","1.038","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549318","16.654","0.008","18.497","0.008","20.536","0.009","70.108","0.016","83.341","0.017","89.951","0.013","5903","5","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","(1,9-diethynyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C204 H156 B4 Cl12 F96 Na4 O36 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0783","0.0632","","","0.1442","0.1547","","","","","","1.053","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549319","13.0127","0.0004","19.6275","0.0007","25.4722","0.0008","90","","96.246","0.003","90","","6467.2","0.4","150","0.14","150","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,9-bis(chloromethyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C50 H41.87 B Cl8 F24 Na O9 -","- C49.9999 H41.8749 B Cl8.0027 F24 Na O9 -","- C200 H167.5 B4 Cl32.0108 F96 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0975","0.0629","","","0.1451","0.1671","","","","","","1.015","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549320","12.434","0.004","12.984","0.005","20.025","0.007","93.798","0.013","107.54","0.012","104.457","0.008","2949.7","1.8","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-dibutyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C54 H54 B F24 Na O9 -","- C54 H54 B F24 Na O9 -","- C108 H108 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.061","0.0492","","","0.1186","0.1261","","","","","","1.045","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549332","18.3209","0.0005","12.3996","0.0003","12.1068","0.0003","90","","98.766","0.001","90","","2718.2","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br2 Cl3 N O -","- C8 H12 Br2 Cl3 N O -","- C64 H96 Br16 Cl24 N8 O8 -","8","1","","Wappes, Ethan A.; Vanitcha, Avassaya; Nagib, David A.","β C-H di-halogenation <i>via</i> iterative hydrogen atom transfer.","Chemical science","2018","9","19","4500","4504","10.1039/c8sc01214h","","x-ray","0.71073","MoKα","","0.0214","0.0177","","","0.0392","0.0404","","","","","","1.074","","","","has coordinates","228746","2020-10-21","18:00:00",""
"1549333","12.799","0.002","13.808","0.002","13.844","0.002","64.938","0.004","70.414","0.004","66.334","0.004","1989.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 B N2 O -","- C48 H57 B N2 O -","- C96 H114 B2 N4 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0884","0.0538","","","0.1229","0.1391","","","","","","1.025","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549334","9.499","0.004","22.755","0.007","19.041","0.006","90","","91.58","0.03","90","","4114","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 B2 N2 O -","- C43 H68 B2 N2 O -","- C172 H272 B8 N8 O4 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0551","0.0407","","","0.1026","0.1128","","","","","","1.029","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549335","26.74","0.01","9.4128","0.0011","30.763","0.012","90","","100.73","0.03","90","","7608","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H52 B Cl N2 -","- C45 H52 B Cl N2 -","- C360 H416 B8 Cl8 N16 -","8","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1392","0.0666","","","0.1223","0.1474","","","","","","1.01","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549336","10.756","0.011","12.715","0.012","18.183","0.013","81.15","0.05","87.75","0.03","68.37","0.04","2284","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H72 B2 N4 O -","- C51.5 H72 B2 N4 O -","- C103 H144 B4 N8 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1248","0.0616","","","0.1359","0.1617","","","","","","1.016","","","","has coordinates,has disorder","228630","2020-10-21","18:00:00",""
"1549337","12.303","0.005","12.532","0.003","24.192","0.017","90","","100.95","0.04","90","","3662","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 B N2 -","- C45 H51 B N2 -","- C180 H204 B4 N8 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1478","0.0647","","","0.1169","0.1431","","","","","","0.994","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549338","6.612","0.0006","7.8997","0.0007","15.4119","0.0013","90","","92.455","0.003","90","","804.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 O2 S -","- C19 H21 O2 S -","- C38 H42 O4 S2 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.084","0.0824","","","0.2256","0.2279","","","","","","1.044","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549339","12.5495","0.0006","6.3424","0.0003","13.2506","0.0006","90","","92.671","0.002","90","","1053.52","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 B O4 -","- C24 H27 B O4 -","- C48 H54 B2 O8 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.0267","0.026","","","0.0676","0.0682","","","","","","1.057","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549367","14.361","0.003","9.517","0.0019","15.449","0.003","90","","99.257","0.003","90","","2084","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(TAP)Co","","- C54 H42 Co N4 O4 -","- C54 H42 Co N4 O4 -","- C108 H84 Co2 N8 O8 -","2","0.5","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0493","0.0459","","","0.1042","0.1062","","","","","","1.128","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549368","21.495","0.002","13.598","0.003","16.434","0.004","90","","90","","90","","4803.5","1.6","173.15","","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","(TAP)Co-(1-(p-fluorophenyl)vinyl)","","- C62 H48 Co F N4 O4 -","- C62 H48 Co F N4 O4 -","- C248 H192 Co4 F4 N16 O16 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0626","0.0581","","","0.161","0.1663","","","","","","1.093","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549369","17.25","0.005","13.082","0.003","32.044","0.009","90","","96.735","0.004","90","","7181","3","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(TPFC)Sn-Co(TAP)","","- C85 H44 Co F15 N8 O4 Sn -","- C85 H44 Co F15 N8 O4 Sn -","- C340 H176 Co4 F60 N32 O16 Sn4 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1103","0.094","","","0.202","0.2127","","","","","","1.173","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549370","12.8962","0.0018","15.333","0.002","21.248","0.003","101.533","0.002","90.07","0.002","106.286","0.002","3944.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(TPFC)Sn-O-Sn(TPFC)","","- C74 H16 F30 N8 O Sn2 -","- C74 H16 F30 N8 O Sn2 -","- C148 H32 F60 N16 O2 Sn4 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0606","0.0557","","","0.1298","0.1333","","","","","","1.089","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549371","15.523","0.004","16.499","0.002","20.024","0.002","93.436","0.01","111.524","0.01","102.953","0.011","4591.9","1.5","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","(TPFC)Sn-(p-MeO-phenylacetylene)-Co(TAP)","","- C94 H52 Co F15 N8 O5 Sn -","- C94 H52 Co F15 N8 O5 Sn -","- C188 H104 Co2 F30 N16 O10 Sn2 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1385","0.1133","","","0.2258","0.2423","","","","","","1.173","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549373","7.0231","0.0008","17.534","0.002","14.6817","0.0019","90","","90","","90","","1807.9","0.4","152","2","152","2","","","","","","","Pyxidicoccus fallax","4","P c a 21","P 2c -2ac","29","","Pyxidicycline A","","- C22 H17 N O9 -","- C22 H17 N O9 -","- C88 H68 N4 O36 -","4","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.0653","0.0452","","","0.1135","0.1236","","","","","","1.054","","","","has coordinates","228835","2020-10-21","18:00:00",""
"1549374","7.0902","0.0012","7.9097","0.0015","17.33","0.003","89.561","0.013","84.797","0.011","74.655","0.012","933.2","0.3","172","2","172","2","","","","","","","Pyxidicoccus fallax","4","P -1","-P 1","2","","Pyxidicycline B","","- C22 H17 N O9 -","- C22 H15 N O9 -","- C44 H30 N2 O18 -","2","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.2936","0.1357","","","0.3337","0.3784","","","","","","1.614","","","","has coordinates,has disorder","228835","2020-10-21","18:00:00",""
"1549375","14.6864","0.0004","15.1284","0.0005","29.6362","0.0007","90","","99.037","0.001","90","","6502.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H33 Cl Ir N6 S2 -","- C54 H33 Cl Ir N6 S2 -","- C216 H132 Cl4 Ir4 N24 S8 -","4","1","","Guan, Ruilin; Chen, Yu; Zeng, Leli; Rees, Thomas W.; Jin, Chengzhi; Huang, Juanjuan; Chen, Zhe-Sheng; Ji, Liangnian; Chao, Hui","Oncosis-inducing cyclometalated iridium(iii) complexes.","Chemical science","2018","9","23","5183","5190","10.1039/c8sc01142g","","","0.71073","MoKα","","0.0653","0.0533","","","0.1492","0.1663","","","","","","1.055","","","","has coordinates,has disorder","228828","2020-10-21","18:00:00",""
"1549376","16.963","0.003","16.963","0.003","11.4256","0.0018","90","","90","","120","","2847.2","0.8","93","","93","","","","","","","","","7","P 61","P 61","169","","","","- C19 H13 Br F3 N O3 S -","- C19 H11 Br F3 N O3 S -","- C114 H66 Br6 F18 N6 O18 S6 -","6","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","0.71075","MoKα","","0.0435","0.0382","","","0.097","0.0988","","","","","","1.022","","","","has coordinates","228831","2020-10-21","18:00:00",""
"1549382","11.6959","0.0003","16.06","0.0004","11.9522","0.0003","90","","91.981","0.001","90","","2243.71","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O3 S Si -","- C21 H29 N O3 S Si -","- C84 H116 N4 O12 S4 Si4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0438","0.0428","","","0.1095","0.1106","","","","","","1.106","","","","has coordinates","228651","2020-10-21","18:00:00",""
"1549383","10.5498","0.0005","19.255","0.0009","10.4914","0.0005","90","","105.495","0.002","90","","2053.72","0.17","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3-Bpin-5-F-2-Me-1-SO2Ph indoline","","- C21 H25 B F N O4 S -","- C21 H25 B F N O4 S -","- C84 H100 B4 F4 N4 O16 S4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0494","0.0435","","","0.1123","0.1172","","","","","","1.07","","","","has coordinates","228651","2020-10-21","18:00:00",""
"1549384","11.4322","0.0011","12.2773","0.0011","12.5149","0.0012","103.535","0.002","107.265","0.002","110.653","0.002","1452.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","x-ray","0.41328","Synchrotron","","0.0391","0.0337","","","0.0881","0.0905","","","","","","1.078","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549385","11.408","0.002","12.249","0.002","12.519","0.002","103.477","0.0018","107.088","0.0017","110.797","0.0017","1447.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0303","0.028","","","0.0691","0.0714","","","","","","1.044","","","","has coordinates","228834","2020-10-21","18:00:00",""
"1549386","11.5228","0.0008","12.2661","0.0008","12.5357","0.0008","103.595","0.002","106.954","0.002","111.073","0.002","1462.29","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Li2 Mg1.07 Ni0.93 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0406","0.0318","","","0.0654","0.0688","","","","","","1.094","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549387","11.5502","0.0008","12.2971","0.0009","12.5192","0.0009","103.554","0.002","107.079","0.002","110.959","0.002","1468.06","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co1.06 Li2 Mg0.94 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0516","0.0383","","","0.0749","0.081","","","","","","1.093","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549388","14.5653","0.0002","25.3532","0.0005","31.1528","0.0004","90","","91.249","0.001","90","","11501.3","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2","2","","- C113 H184 O6 Si8 Ti4 -","- C113 H184 O6 Si8 Ti4 -","- C452 H736 O24 Si32 Ti16 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","1.54184","CuKα","","0.1441","0.1285","","","0.3566","0.3833","","","","","","0.942","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549389","12.9536","0.0005","22.7968","0.0009","18.9201","0.0008","90","","92.537","0.004","90","","5581.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","3","","- C55 H92 O2 Si4 Ti2 -","- C54.968 H91.904 O2 Si4 Ti2 -","- C219.872 H367.616 O8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","0.71075","MoKα","","0.1407","0.0836","","","0.214","0.2501","","","","","","1.033","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549391","10.683","0.002","11.322","0.002","11.736","0.002","67.493","0.009","86.541","0.01","76.417","0.01","1274","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","1","0.5","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0593","0.0613","","","","","","1.055","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549392","19.6962","0.0007","19.6962","0.0007","29.9535","0.0013","90","","90","","90","","11620.2","0.8","299.43","","299.43","","","","","","","","","5","I 4/m","-I 4","87","","","","- C60 H148 Cl42 O76 U38 -","- C60 H148 Cl42 O76 U38 -","- C120 H296 Cl84 O152 U76 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","","0.71073","MoKα","","0.1188","0.0409","","","0.0749","0.0942","","","","","","1.017","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549398","23.057","0.002","13.6098","0.0012","23.378","0.002","90","","110.977","0.002","90","","6849.8","1","110","","110","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H84 Co I3 N6 O6 S6 -","- C54 H84 Co I3 N6 O6 S6 -","- C216 H336 Co4 I12 N24 O24 S24 -","4","2","","Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.","The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents.","Chemical science","2018","9","22","5087","5099","10.1039/c8sc01510d","","x-ray","0.71073","MoKα","","0.0985","0.0813","","","0.1382","0.1497","","","","","","1.221","","","","has coordinates,has disorder","228648","2020-10-21","18:00:00",""
"1549399","13.2526","0.0017","8.5485","0.0011","23.163","0.003","90","","97.46","0.003","90","","2601.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O3 S -","- C30 H30 N2 O3 S -","- C120 H120 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0692","0.0488","","","0.1283","0.1424","","","","","","1.028","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549400","9.5994","0.0004","14.7775","0.0006","19.9833","0.001","90","","90","","90","","2834.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O3 S -","- C33 H32 N2 O3 S -","- C132 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0781","0.0498","","","0.1071","0.1246","","","","","","1.045","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549401","14.6758","0.0017","8.1119","0.001","22.258","0.003","90","","97.042","0.003","90","","2629.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N2 O3 S -","- C30 H32 N2 O3 S -","- C120 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0735","0.0517","","","0.1274","0.1402","","","","","","1.029","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549403","29.697","0.004","33.356","0.005","5.4539","0.0008","90","","90","","90","","5402.5","1.3","170","","170","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H32 N6 O5 -","- C32 H32 N6 O5 -","- C256 H256 N48 O40 -","8","0.5","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.0556","0.0401","","","0.0857","0.092","","","","","","1.006","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549404","12.646","0.002","8.4619","0.0016","17.452","0.003","90","","90.459","0.005","90","","1867.5","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C88 H80 N16 O8 -","4","2","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.1385","0.0607","","","0.1164","0.1516","","","","","","0.966","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549405","7.731","0.0003","8.2071","0.0003","11.5044","0.0004","90","","107.779","0.0011","90","","695.08","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0691","0.0692","","","","","","1.053","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549406","14.4518","0.0005","15.8358","0.0005","14.1208","0.0004","90","","93.946","0.001","90","","3223.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 N3 O4 -","- C34 H51 N3 O4 -","- C136 H204 N12 O16 -","4","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0343","0.0334","","","0.0835","0.0843","","","","","","1.047","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549407","5.0463","0.0003","10.357","0.0005","13.2269","0.0007","90","","92.007","0.002","90","","690.87","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C32 H28 Cl2 N2 O4 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0231","0.023","","","0.0634","0.0635","","","","","","1.065","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549408","12.7206","0.0003","36.0918","0.0007","22.8341","0.0004","90","","90","","90","","10483.3","0.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C112 H88 Co N8 O8 -","- C112 H88 Co N8 O8 -","- C448 H352 Co4 N32 O32 -","4","0.5","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0432","0.0359","","","0.0826","0.0854","","","","","","0.969","","","","has coordinates,has disorder","228653","2020-10-21","18:00:00",""
"1549409","14.8145","0.0002","12.6491","0.0002","11.5796","0.0002","90","","106.709","","90","","2078.28","0.06","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0284","","","","0.0739","","","","","","1.061","","","","has coordinates","228652","2020-10-21","18:00:00",""
"1549410","12.592","0.0011","7.7321","0.0007","21.336","0.003","90","","96.291","0.007","90","","2064.8","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0302","","","","0.0772","","","","","","0.979","","","","has coordinates","228652","2020-10-21","18:00:00",""
"1549411","7.6263","0.0006","16.9562","0.0013","10.843","0.0009","90","","92.648","0.004","90","","1400.64","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C","","","- C13 H12 Cl F6 N O -","- C13 H12 Cl F6 N O -","- C52 H48 Cl4 F24 N4 O4 -","4","1","","Carestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J.","Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals.","Chemical science","2018","9","24","5360","5365","10.1039/c8sc01756e","","","0.71073","MoKα","","0.0385","0.0312","","","0.084","0.0887","","","","","","1.028","","","","has coordinates","228633","2020-10-21","18:00:00",""
"1549414","9.1247","0.0008","11.1474","0.0011","11.9275","0.0012","90","","90.442","0.003","90","","1213.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H12 B Br F3 N -","- C11 H12 B Br F3 N -","- C44 H48 B4 Br4 F12 N4 -","4","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0384","0.0389","","","","","","0.908","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549415","6.1042","0.0002","37.0556","0.001","7.9394","0.0002","90","","93.529","0.003","90","","1792.45","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F4 N -","- C8 H8 B F4 N -","- C64 H64 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0692","0.0653","","","0.1939","0.198","","","","","","1.094","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549416","8.4831","0.0001","8.7906","0.0001","17.8568","0.0002","90","","90","","90","","1331.61","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 B F4 N -","- C13 H18 B F4 N -","- C52 H72 B4 F16 N4 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0813","0.082","","","","","","1.1","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549417","9.1554","0.0001","14.8171","0.0001","24.131","0.0002","90","","93.931","0.001","90","","3265.82","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H39 B2 F8 N2 O0.5 -","- C35.5 H39 B2 F8 N2 O0.5 -","- C142 H156 B8 F32 N8 O2 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0537","0.0453","","","0.1196","0.125","","","","","","1.036","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549418","10.8597","0.0001","11.1368","0.0001","19.408","0.0002","90","","90","","90","","2347.25","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F4 N -","- C11 H14 B F4 N -","- C88 H112 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0318","0.0304","","","0.0743","0.0753","","","","","","1.042","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549419","12.987","0.01","23.653","0.017","7.519","0.005","90","","90","","90","","2310","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Na2Ga2GeSSe5","Na2Ga2GeSSe5","","- Ga2 Ge Na2 S Se5 -","- Ga2 Ge Na2 S Se5 -","- Ga16 Ge8 Na16 S8 Se40 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0389","0.0376","","","0.0995","0.1013","","","","","","1.056","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549420","12.985","0.004","23.88","0.008","7.585","0.003","90","","90","","90","","2352","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2GeSe6","","- Ga2 Ge Na2 Se6 -","- Ga2 Ge Na2 Se6 -","- Ga16 Ge8 Na16 Se48 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0318","0.0272","","","0.0567","0.0576","","","","","","1.134","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549421","13.329","0.003","24.291","0.007","7.621","0.002","90","","90","","90","","2467.5","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2SnSe6","","- Ga2 Na2 Se6 Sn -","- Ga2 Na2 Se6 Sn -","- Ga16 Na16 Se48 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0321","0.0312","","","0.0842","0.0844","","","","","","1.695","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549422","13.264","0.004","23.936","0.007","7.514","0.002","90","","90","","90","","2385.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Na2Ga2SnSSe5","","- Ga2 Na2 S Se5 Sn -","- Ga2 Na2 S Se5 Sn -","- Ga16 Na16 S8 Se40 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0352","0.0338","","","0.0887","0.0892","","","","","","1.504","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549423","20.8091","0.001","20.8091","0.001","6.5883","0.0004","90","","90","","120","","2470.6","0.2","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0824","0.0726","","","0.1768","0.1849","","","","","","1.039","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549424","20.7637","0.0003","20.7637","0.0003","6.5915","0.0001","90","","90","","120","","2461.07","0.06","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0694","0.0631","","","0.1502","0.1538","","","","","","1.117","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549425","8.8976","0.0003","9.7399","0.0003","15.4155","0.0005","93.972","0.001","99.602","0.001","107.215","0.001","1248.19","0.07","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C26 H40 N2 O6 -","- C26 H40 N2 O6 -","- C52 H80 N4 O12 -","2","2","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","","1.54178","CuKα","","0.0342","0.034","","","0.0939","0.0941","","","","","","1.03","","","","has coordinates","228827","2020-10-21","18:00:00",""
"1549426","10.7657","0.0007","11.9402","0.0007","12.6973","0.0007","65.614","0.003","84.355","0.003","71.603","0.004","1409.62","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 Cl O -","- C40 H27 Cl O -","- C80 H54 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54178","CuKα","","0.1307","0.1049","","","0.3586","0.3667","","","","","","1.435","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549427","10.7377","0.0004","7.2096","0.0003","30.6438","0.001","90","","97.73","0.003","90","","2350.72","0.15","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O -","- C36 H24 O -","- C144 H96 O4 -","4","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.0739","0.0475","","","0.114","0.1294","","","","","","1.012","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549428","7.3515","0.0007","11.2839","0.0011","19.4024","0.0019","74.348","0.009","87.386","0.008","73.241","0.008","1483.1","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H28 Cl O -","- C42 H28 Cl O -","- C84 H56 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.1661","0.0854","","","0.212","0.273","","","","","","1.002","","","","has coordinates,has disorder","228647","2020-10-21","18:00:00",""
"1549430","7.628","0.0005","10.6903","0.0008","12.8641","0.0007","83.21","0.006","88.683","0.005","73.76","0.007","1000.03","0.12","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H15 B11 Br6 Si -","- C4 H15 B11 Br6 Si -","- C8 H30 B22 Br12 Si2 -","2","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.1348","0.1","","","0.2298","0.2554","","","","","","1.122","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549431","18.5845","0.0004","14.7047","0.0002","19.673","0.0003","90","","90","","90","","5376.23","0.16","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 B11 Br6 Si -","- C14 H19 B11 Br6 Si -","- C112 H152 B88 Br48 Si8 -","8","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0519","0.0368","","","0.0808","0.0881","","","","","","1.084","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549432","10.26054","0.00014","38.4104","0.0006","8.64061","0.00013","90","","100.552","0.0014","90","","3347.78","0.09","150","2","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H29 B11 Br6 Cl2 Si -","- C19 H29 B11 Br6 Cl2 Si -","- C76 H116 B44 Br24 Cl8 Si4 -","4","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0525","0.0517","","","0.1337","0.1345","","","","","","1.098","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549433","25.6568","0.0011","9.9841","0.0003","9.988","0.0004","90","","95.639","0.004","90","","2546.15","0.17","150","","150","","","","","","","","synthetic","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H12.5 Cl1.5 I N O -","- C8.5 H12.5 Cl1.5 I N O -","- C68 H100 Cl12 I8 N8 O8 -","8","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.5418","CuKα","","0.0428","0.0399","","0.1106","0.1071","0.1106","","","","","","0.9969","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549434","7.0213","0.0003","11.7894","0.0005","12.2156","0.0005","72.797","0.004","86.293","0.004","89.879","0.003","963.76","0.07","150","","150","","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C8 H12 Br N O2 -","- C8 H12 Br N O2 -","- C32 H48 Br4 N4 O8 -","4","2","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0378","0.0328","","0.0875","0.0824","0.0875","","","","","","1.008","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549435","14.727","0.0003","5.7756","0.0001","21.9219","0.0005","90","","92.4149","0.0018","90","","1862.96","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0408","0.0377","","0.0984","0.0948","0.0984","","","","","","0.9976","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549436","12.8692","0.0002","8.4534","0.0001","11.4743","0.0002","90","","99.0055","0.0015","90","","1232.88","0.03","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 I N O2 -","- C12 H12 I N O2 -","- C48 H48 I4 N4 O8 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0278","0.0274","","0.076","0.0756","0.076","","","","","","1.0008","","","","has coordinates","228830","2020-10-21","18:00:00",""
"1549437","5.602","0.0003","8.9978","0.0005","13.3874","0.0009","95.953","0.005","98.695","0.005","98.785","0.005","653.64","0.07","200","","200","","","","","","","","synthetic","4","P -1","-P 1","2","","","","- C13 H12 F3 I -","- C13 H12 F3 I -","- C26 H24 F6 I2 -","2","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0388","0.0358","","0.0992","0.0947","0.099","","","","","","0.9928","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549438","8.6189","0.0002","8.0477","0.0002","8.6853","0.0001","90","","101.24","0.002","90","","590.88","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Blue light-promoted photolysis of aryldiazoacetates.","Chemical science","2018","9","22","5112","5118","10.1039/c8sc01165f","","x-ray","1.54184","CuKα","","0.029","0.0283","","","0.0716","0.0719","","","","","","1.106","","","","has coordinates","228642","2020-10-21","18:00:00",""
"1549450","19.835","0.0005","19.835","0.0005","29.0373","0.0008","90","","90","","120","","9893.5","0.4","173","","173","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H24 Co N7 O9 -","- C12 H24 Co N7 O9 -","- C216 H432 Co18 N126 O162 -","18","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0515","0.0495","","0.1408","0.1386","0.1408","","","","","","1.008","","","","has coordinates,has disorder","228643","2020-10-21","18:00:00",""
"1549451","9.9394","0.0004","9.5494","0.0004","21.4604","0.0009","90","","90.9342","0.0013","90","","2036.65","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Br3 Co N5 -","- C14 H27 Br3 Co N5 -","- C56 H108 Br12 Co4 N20 -","4","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0341","0.0247","","0.0616","0.0584","0.0616","","","","","","1.0003","","","","has coordinates","228643","2020-10-21","18:00:00",""
"1549452","8.8034","0.0005","9.6631","0.0006","10.5046","0.0006","102.117","0.001","107.299","0.001","102.283","0.001","797.12","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","A-1F0","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0609","0.0466","","","0.1223","0.1328","","","","","","1.033","","","","has coordinates","228629","2020-10-21","18:00:00",""
"1549453","7.6139","0.0006","10.1143","0.0008","12.847","0.001","95.814","0.002","92.348","0.002","93.463","0.002","981.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-2","","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0746","0.0538","","","0.1443","0.1567","","","","","","1.047","","","","has coordinates","228629","2020-10-21","18:00:00",""
"1549454","22.741","","7.648","","35.273","","90","","96.81","","90","","6091.51","","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","A-8","","- C70 H82 F10 N2 O4 -","- C70 H82 F10 N2 O4 -","- C280 H328 F40 N8 O16 -","4","1","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54184","CuKα","","0.1071","0.0901","","","0.1722","0.1794","","","","","","1.159","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549455","12.392","0.0007","17.6527","0.0009","18.8864","0.001","95.161","0.003","103.759","0.003","106.881","0.003","3783.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-4","","- C54 H50 F4 N10 O2 -","- C40.5 H19.5 F7.5 N1.5 O3 -","- C162 H78 F30 N6 O12 -","4","2","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54178","CuKα","","0.3115","0.2346","","","0.5424","0.5936","","","","","","3.541","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549456","13.7644","0.0001","24.8987","0.0002","35.6022","0.0002","90","","90","","90","","12201.4","0.15","173.01","0.1","173.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C132 H112 Au6 B2 F8 N2 O P6 -","- C132 H112 Au6 B2 F8 N2 O P6 -","- C528 H448 Au24 B8 F32 N8 O4 P24 -","4","1","","Guo, Ping; Yang, Biao; Zhang, Li; Zhao, Liang","Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters.","Chemical science","2018","9","25","5614","5622","10.1039/c8sc00344k","","","1.54184","CuKα","","0.0629","0.0617","","","0.1598","0.1607","","","","","","1.064","","","","has coordinates,has disorder","228758","2020-10-21","18:00:00",""
"1549457","5.5798","0.0004","26.592","0.002","8.0005","0.0006","90","","108.656","0.0009","90","","1124.72","0.14","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0448","0.0403","","","0.1067","0.1106","","","","","","1.017","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549458","16.348","0.008","6.781","0.003","10.091","0.005","90","","100.02","0.006","90","","1101.6","0.9","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0837","0.0711","","","0.1837","0.1989","","","","","","1.015","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549459","10.7209","0.0005","13.1604","0.0006","8.2158","0.0004","90","","105.789","0.0005","90","","1115.44","0.09","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0539","0.047","","","0.125","0.1306","","","","","","1.044","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549460","14.4406","0.0013","9.5463","0.0009","10.3489","0.0009","90","","98.2686","0.0011","90","","1411.8","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0403","","","0.1067","0.112","","","","","","1.041","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549461","6.5568","0.0004","15.0022","0.001","11.4025","0.0007","90","","97.5881","0.0008","90","","1111.8","0.12","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.044","0.0396","","","0.1009","0.105","","","","","","1.046","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549462","9.7545","0.0005","9.4518","0.0005","15.7484","0.0009","90","","103.855","0.001","90","","1409.72","0.13","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0497","0.0462","","","0.1203","0.1239","","","","","","1.05","","","","has coordinates,has disorder","228632","2020-10-21","18:00:00",""
"1549463","6.8954","0.0006","8.3622","0.0008","12.1458","0.0011","106.492","0.0011","92.7147","0.0011","108.899","0.001","627.79","0.1","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0393","","","0.0908","0.0954","","","","","","1.012","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549464","10.3761","0.0013","10.82","0.0014","10.8988","0.0014","90","","90","","90","","1223.6","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0369","0.0329","","","0.0802","0.0827","","","","","","1.035","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549469","44.7776","0.0058","44.7776","0.0058","7.6581","0.0039","90","","90","","90","","15355","8","298","","298","","","","1013","","","","","6","I 41 c d","I 4bw -2c","110","","","Zr-CAU-30","- C44 N4 Ni O22 P4 Zr2 -","- C44 N4 Ni O21.052 P4 Zr2 -","- C352 N32 Ni8 O168.416 P32 Zr16 -","8","0.5","","Rhauderwiek, Timo; Zhao, Haishuang; Hirschle, Patrick; Döblinger, Markus; Bueken, Bart; Reinsch, Helge; De Vos, Dirk; Wuttke, Stefan; Kolb, Ute; Stock, Norbert","Highly stable and porous porphyrin-based zirconium and hafnium phosphonates - electron crystallography as an important tool for structure elucidation.","Chemical science","2018","9","24","5467","5478","10.1039/c8sc01533c","","x-ray","1.54059","CuKα1","","","","","","","","","","","","","","","","","has coordinates","228631","2020-10-21","18:00:00",""
"1549471","11.785","0.003","19.051","0.005","19.029","0.005","90","","93.29","0.004","90","","4265.3","1.9","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B2 -","- C56 H56 B2 -","- C224 H224 B8 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.1521","0.0727","","","0.123","0.154","","","","","","1.01","","","","has coordinates","228624","2020-10-21","18:00:00",""
"1549472","18.849","0.003","11.5959","0.0016","20.422","0.003","90","","106.914","0.0018","90","","4270.6","1.1","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 B2 N2 -","- C48 H54 B2 N2 -","- C192 H216 B8 N8 -","4","0.5","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0567","0.0512","","","0.1412","0.1471","","","","","","1.042","","","","has coordinates","228624","2020-10-21","18:00:00",""
"1549473","21.407","0.003","13.6932","0.0018","23.988","0.003","90","","92.4764","0.0014","90","","7025","1.6","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C79 H83 B2 Cl4 K N O6 -","- C79 H83 B2 Cl4 K N O6 -","- C316 H332 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0538","0.0452","","","0.1119","0.1181","","","","","","1.023","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549474","15.4096","0.0014","23.693","0.002","19.0628","0.0017","90","","112.948","0.0011","90","","6409","1","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H78 B2 Cl4 K N O6 -","- C71 H78 B2 Cl4 K N O6 -","- C284 H312 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0805","0.0543","","","0.1549","0.1724","","","","","","1.074","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549475","12.8924","0.0006","13.4295","0.0006","13.7975","0.0006","110.488","0.004","112.313","0.004","100.712","0.004","1925.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[(Mes-BDIAl)HPd(PCy3)]2","","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","1","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","","0.71073","MoKα","","0.0434","0.035","","","0.0736","0.0775","","","","","","1.046","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549476","12.086","0.0004","22.1931","0.0007","12.9055","0.0004","90","","106.077","0.004","90","","3326.2","0.2","173","2","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipp-BDIAlH(o-tol)","","- C36 H48.9 Al Cl0.1 N2 -","- C36 H48.9 Al Cl0.1 N2 -","- C144 H195.6 Al4 Cl0.4 N8 -","4","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.087","0.0589","","","0.1387","0.154","","","","","","1.099","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549477","16.6858","0.0014","20.95","0.002","9.0089","0.0009","90","","90","","90","","3149.2","0.5","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipp-BDIAlH(Ph)","","- C35 H47 Al N2 -","- C35 H47 Al N2 -","- C140 H188 Al4 N8 -","4","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.0844","0.0479","","","0.1258","0.1371","","","","","","0.699","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549478","13.2046","0.0008","14.1589","0.0011","23.4405","0.0011","94.72","0.005","98.247","0.004","108.643","0.006","4071.1","0.5","173","2","173","0.14","","","","","","","","6","P -1","-P 1","2","","[Pd(PCy3)(Dipp-BDIAl)2]","","- C85 H136 Al2 N4 P Pd -","- C85 H136 Al2 N4 P Pd -","- C170 H272 Al4 N8 P2 Pd2 -","2","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.1093","0.0679","","","0.1424","0.1662","","","","","","1.044","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549479","28.6364","0.0008","28.6364","0.0008","29.7717","0.0008","90","","90","","120","","21143.2","1","293","2","293.15","","","","","","","","","7","R -3","-R 3","148","","","","- C50 H33 Cl2 F7 N O Sb -","- C50 H33 Cl2 F7 N O Sb -","- C900 H594 Cl36 F126 N18 O18 Sb18 -","18","","","Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong","Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration","Chemical Science","2018","","","","","10.1039/C8SC01963K","","","0.71073","MoKα","","0.1073","0.0613","","","0.1712","0.1921","","","","","","1.044","","","","has coordinates","208010","2020-10-21","18:00:00",""
"1549480","9.14367","0.00015","44.3544","0.0008","12.23171","0.00019","90","","109.948","0.0017","90","","4663.08","0.14","296.7","0.8","296.7","0.8","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H35 Cl F6 N O3 Sb -","- C51.5 H35 Cl F6 N O3 Sb -","- C206 H140 Cl4 F24 N4 O12 Sb4 -","4","1","","Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong","Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration","Chemical Science","2018","","","","","10.1039/C8SC01963K","","x-ray","1.54184","CuKα","","0.0896","0.0801","","","0.226","0.2355","","","","","","1.069","","","","has coordinates","208010","2020-10-21","18:00:00",""
"1549481","7.2613","0.0002","7.6635","0.0003","13.5746","0.0005","95.988","0.003","98.931","0.003","90.085","0.003","742.04","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0267","0.0258","","","0.0684","0.069","","","","","","1.014","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549482","7.0836","0.0003","15.1242","0.0006","13.5688","0.0006","96.424","0.004","97.878","0.004","90.09","0.004","1430.7","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C52 H32 Fe2 N24 O4 Pd2 -","2","1","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0388","0.0331","","","0.0941","0.0993","","","","","","1.057","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549483","7.2772","0.0001","7.6432","0.0001","13.5928","0.0003","95.997","0.002","98.598","0.002","90.08","0.002","743.35","0.02","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pt(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0562","0.056","","","0.1544","0.1545","","","","","","1.083","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549484","10.302","0.004","10.479","0.004","12.612","0.004","72.875","0.006","70.7","0.006","76.245","0.006","1213.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Br Co N3 O4 -","- C24 H31 Br Co N3 O4 -","- C48 H62 Br2 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.0892","0.0663","","","0.182","0.1998","","","","","","1.054","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549485","11.724","0.019","14","0.02","15.95","0.03","66.86","0.02","76.56","0.03","68.44","0.03","2227","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co N6 O14 -","- C40 H34 Co N6 O14 -","- C80 H68 Co2 N12 O28 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.3224","0.1186","","","0.2708","0.379","","","","","","0.946","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549486","11.416","0.003","13.616","0.004","13.991","0.003","73.027","0.005","70.324","0.004","69.364","0.005","1879","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Co N3 O6 -","- C26 H25 Co N3 O4 -","- C52 H50 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.1068","0.0695","","","0.2061","0.2231","","","","","","1.198","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549487","11.93","0.009","14.213","0.011","17.277","0.013","98.862","0.012","101.804","0.013","112.978","0.012","2550","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Co N3 O11 -","- C46 H44 Co N3 O11 -","- C92 H88 Co2 N6 O22 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.2032","0.1128","","","0.3113","0.3833","","","","","","1.074","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549490","12.4209","0.0005","13.6925","0.0005","15.889","0.0006","81.806","0.003","74.263","0.003","87.206","0.003","2574.3","0.18","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H24 Cl8 N6 -","- C56 H24 Cl8 N6 -","- C112 H48 Cl16 N12 -","2","1","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","x-ray","1.54184","CuKα","","0.0517","0.0442","","","0.1151","0.1203","","","","","","1.022","","","","has coordinates","228662","2020-10-21","18:00:00",""
"1549492","13.85","0.003","15.15","0.003","17.46","0.003","73.28","0.03","78.26","0.03","77.43","0.03","3385.5","1.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 Cl2 O6 -","- C76 H62 O6 -","- C152 H124 O12 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","","0.71073","MoKα","","0.0976","0.0755","","","0.2271","0.2456","","","","","","1.004","","","","has coordinates","228757","2020-10-21","18:00:00",""
"1549493","10.1039","0.0004","14.5087","0.0009","15.0844","0.0008","65.241","0.005","89.939","0.004","69.932","0.005","1859.5","0.2","99.97","0.1","99.97","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H46 N2 -","- C50 H46 N2 -","- C100 H92 N4 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","x-ray","1.54178","CuKα","","0.0463","0.0379","","","0.1066","0.1143","","","","","","1.004","","","","has coordinates","228757","2020-10-21","18:00:00",""
"1549497","21.3348","0.0009","5.9392","0.0002","23.3779","0.001","90","","102.485","0.004","90","","2892.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ONdP(BC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.1587","0.1496","","","0.3314","0.3358","","","","","","1.062","","","","has coordinates,has disorder","228707","2020-10-21","18:00:00",""
"1549498","23.584","0.004","6.0025","0.0007","21.526","0.003","90","","102.573","0.014","90","","2974.2","0.8","272","4","272","4","","","","","","","","5","C 1 c 1","C -2yc","9","","ONdP(GC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.0966","0.0872","","","0.2447","0.2916","","","","","","1.372","","","","has coordinates,has disorder","228707","2020-10-21","18:00:00",""
"1549501","12.2471","0.0003","18.3327","0.0005","17.6262","0.0005","90","","95.002","0.002","90","","3942.41","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C70 H95 Fe2 N17 O23 -","- C70 H95 Fe2 N17 O23 -","- C140 H190 Fe4 N34 O46 -","2","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.067","0.054","","","0.1557","0.166","","","","","","1.035","","","","has coordinates,has disorder","228708","2020-10-21","18:00:00",""
"1549502","11.359","0.0005","11.8525","0.0005","13.7993","0.0006","68.492","0.004","83.722","0.004","66.929","0.004","1588.95","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","1","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","1.54184","CuKα","","0.0528","0.0504","","","0.1494","0.1527","","","","","","1.071","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549503","11.8093","0.0012","19.833","0.002","18.2984","0.0017","90","","93.921","0.003","90","","4275.7","0.7","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Co N11 O11 -","- C38 H51 Co N11 O11 -","- C152 H204 Co4 N44 O44 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0703","0.043","","","0.0955","0.1062","","","","","","1.029","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549504","11.1043","0.0003","17.4254","0.0004","19.3342","0.0004","90","","90","","90","","3741.11","0.15","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N7 O5 Zn -","- C36 H51 N7 O5 Zn -","- C144 H204 N28 O20 Zn4 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0273","0.0244","","","0.0579","0.0588","","","","","","1.072","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549505","11.0981","0.0003","17.442","0.0004","19.3054","0.0004","90","","90","","90","","3737.01","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Fe N7 O5 -","- C36 H51 Fe N7 O5 -","- C144 H204 Fe4 N28 O20 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0263","0.0248","","","0.0592","0.06","","","","","","1.042","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549506","10.2415","0.0004","11.6883","0.0004","18.9061","0.0007","97.1912","0.0011","96.6555","0.0011","104.782","0.0011","2145.12","0.14","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Mn N9 O11 -","- C34 H45 Mn N9 O11 -","- C68 H90 Mn2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0469","0.0371","","","0.0941","0.0995","","","","","","1.023","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549507","10.1375","0.0008","11.6574","0.0009","19.0003","0.0015","97.688","0.002","96.622","0.002","103.818","0.002","2135.4","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N10 O12 Zn -","- C38 H54 N10 O12 Zn -","- C76 H108 N20 O24 Zn2 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0523","0.0498","","","0.1302","0.1318","","","","","","1.053","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549508","10.2617","0.0002","11.3806","0.0002","19.5188","0.0004","105.524","0.002","98.363","0.002","94.721","0.002","2155.33","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H48 Co N10 O5 -","- C39 H48 Co N10 O5 -","- C78 H96 Co2 N20 O10 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0334","0.0297","","","0.078","0.0797","","","","","","1.055","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549509","10.2009","0.0003","11.6975","0.0003","18.9343","0.0005","97.4707","0.0009","96.4933","0.0009","104.418","0.0009","2144.57","0.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Fe N9 O11 -","- C34 H45 Fe N9 O11 -","- C68 H90 Fe2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0531","0.0374","","","0.0875","0.0933","","","","","","1.028","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549510","9.2297","0.0004","10.6903","0.0004","27.8883","0.0012","90","","91.6399","0.0018","90","","2750.6","0.2","123","","123","","","","","","","","R. Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0405","0.0361","","0.0785","0.0778","0.0785","","","","","","0.9187","","","","has coordinates","228713","2020-10-21","18:00:00",""
"1549511","8.5388","0.0005","14.2697","0.0008","22.0284","0.0014","90","","94.249","0.003","90","","2676.7","0.3","123","","123","","","","","","","","Rajesh Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0412","0.0352","","0.0781","0.076","0.078","","","","","","0.9378","","","","has coordinates","228713","2020-10-21","18:00:00",""
"1549536","16.518","0.002","15.555","0.002","16.111","0.002","90","","104.402","0.003","90","","4009.4","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Co N2 O7 -","- C17 H19 Co N2 O7 -","- C136 H152 Co8 N16 O56 -","8","1","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71076","MoKα","","0.0775","0.0562","","","0.1538","0.1775","","","","","","1.045","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549537","16.418","0.003","15.589","0.003","16.101","0.003","90","","103.863","0.004","90","","4000.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 Co2 N5 O15 -","- C37 H45 Co2 N5 O15 -","- C148 H180 Co8 N20 O60 -","4","0.5","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71073","MoKα","","0.069","0.0535","","","0.1603","0.1779","","","","","","1.043","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549538","10.0308","0.0012","12.6903","0.0016","19.943","0.002","90","","90","","90","","2538.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 B Br N O6 -","- C23 H33 B Br N O6 -","- C92 H132 B4 Br4 N4 O24 -","4","1","","Chen, Lili; Shen, Jun-Jian; Gao, Qian; Xu, Senmiao","Synthesis of cyclic chiral α-amino boronates by copper-catalyzed asymmetric dearomative borylation of indoles.","Chemical science","2018","9","26","5855","5859","10.1039/c8sc01815d","","","0.71073","MoKα","","0.0506","0.0408","","","0.104","0.1091","","","","","","1.001","","","","has coordinates","228705","2020-10-21","18:00:00",""
"1549543","12.0014","0.0012","13.0411","0.0012","17.0476","0.0015","88.379","0.004","81.381","0.004","74.642","0.004","2543.6","0.4","173","2","173.01","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O4 -","- C60 H48 N4 O4 -","- C120 H96 N8 O8 -","2","1","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1954","0.099","","","0.2315","0.2991","","","","","","1.012","","","","has coordinates,has disorder","228661","2020-10-21","18:00:00",""
"1549544","25.387","0.002","27.537","0.003","21.8595","0.0019","90","","90","","90","","15282","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H50 Cl2 N4 O4 S2 -","- C59 H50 Cl2 N4 O4 S2 -","- C708 H600 Cl24 N48 O48 S24 -","12","3","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1711","0.0873","","","0.1854","0.2351","","","","","","1.035","","","","has coordinates","228661","2020-10-21","18:00:00",""
"1549555","9.1363","0.0001","13.549","0.0001","15.3864","0.0002","90","","90","","90","","1904.65","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O3 S -","- C19 H22 F3 N O3 S -","- C76 H88 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0453","0.0442","","","0.1242","0.1257","","","","","","1.054","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549556","8.5712","0.0003","9.5542","0.0003","12.0362","0.0004","91.908","0.003","103.104","0.003","97.556","0.003","949.62","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0472","0.0447","","","0.118","0.1206","","","","","","1.039","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549557","8.0524","0.0006","10.279","0.0006","21.1646","0.0013","90","","90","","90","","1751.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O3 S -","- C17 H18 F3 N O3 S -","- C68 H72 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","x-ray","0.71073","MoKα","","0.0594","0.0468","","","0.0924","0.0982","","","","","","1.044","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549558","8.5335","0.0006","8.9158","0.0006","15.6189","0.001","94.244","0.002","92.845","0.002","113.418","0.0019","1083.39","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 I2 In N O6 -","- C17 H20 I2 In N O6 -","- C34 H40 I4 In2 N2 O12 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0423","","","","0.1112","","","","","","1.447","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549559","7.2953","0.0003","10.6797","0.0009","10.9105","0.0008","71.041","0.007","73.634","0.006","78.807","0.006","766.42","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 I3 In O2 -","- C10 H8 I3 In O2 -","- C20 H16 I6 In2 O4 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","1.54184","CuKα","","","0.0491","","","","0.0805","","","","","","1.012","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549560","3.8763","0.0005","12.0424","0.0019","26.146","0.004","90","","90","","90","","1220.5","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cl O3 -","- C16 H9 Cl O3 -","- C64 H36 Cl4 O12 -","4","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0661","","","","0.1165","","","","","","0.99","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549561","8.749","0.0006","9.0176","0.0006","12.167","0.0008","92.712","0.0016","100.266","0.0015","92.8365","0.0016","941.85","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 I N O4 -","- C9 H4 I N O4 -","- C36 H16 I4 N4 O16 -","4","2","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0584","","","","0.0953","","","","","","0.995","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549565","11.60758","0.00019","16.9798","0.0003","22.4892","0.0004","90","","94.829","0.0015","90","","4416.76","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Cl4 Os P2 Si -","- C49 H46 Cl4 Os P2 Si -","- C196 H184 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0651","0.0431","","","0.0906","0.0972","","","","","","1.003","","","","has coordinates","228664","2020-10-21","18:00:00",""
"1549566","13.9889","0.0002","16.453","0.0002","21.3301","0.0003","90","","97.273","0.001","90","","4869.82","0.11","100","0.1","100","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C53 H48 Cl4 Os P2 Si -","- C53 H48 Cl4 Os P2 Si -","- C212 H192 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0284","0.0276","","","0.0695","0.07","","","","","","1.034","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549567","11.4227","0.0002","17.2735","0.0003","13.9125","0.0003","90","","102.838","0.0019","90","","2676.46","0.09","100.01","0.1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H52 Cl8 Os P2 Si -","- C55 H52 Cl8 Os P2 Si -","- C110 H104 Cl16 Os2 P4 Si2 -","2","0.5","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","","1.54184","CuKα","","0.0466","0.0424","","","0.1003","0.1023","","","","","","1.077","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549568","14.2067","0.0006","15.9799","0.0008","18.6556","0.001","90","","94.05","0.002","90","","4224.6","0.4","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 As Cl F6 N9 O6 S2 -","- C34 H36 As Cl F6 N8 O6 S2 -","- C136 H144 As4 Cl4 F24 N32 O24 S8 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.1031","0.0512","","","0.1096","0.1381","","","","","","1.09","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549569","14.0065","0.0003","15.9167","0.0003","21.8331","0.0005","90","","107.966","0.0013","90","","4630.08","0.17","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino arsenic tristriflate","","- C37 H39 As F9 N9 O9 S3 -","- C37 H39 As F9 N9 O9 S3 -","- C148 H156 As4 F36 N36 O36 S12 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","1.54178","CuKα","","0.0989","0.0898","","","0.2548","0.2635","","","","","","1.057","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549570","13.0553","0.0005","25.1646","0.0012","14.6359","0.0006","90","","114.619","0.0015","90","","4371.2","0.3","140","","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19.5 N7.5 P -","- C25 H19.5 N7.5 P -","- C200 H156 N60 P8 -","8","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0495","0.0385","","","0.0899","0.0988","","","","","","1.094","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549571","13.753","0.007","14.06","0.007","14.321","0.007","109.504","0.013","98.444","0.013","111.998","0.009","2300","2","170","2","170.02","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 F11 N9 O9 P S3 -","- C37 H39 F11 N9 O9 P S3 -","- C74 H78 F22 N18 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","","0.2467","0.1889","","","0.5278","0.569","","","","","","1.083","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549572","13.1877","0.0006","13.3482","0.0007","13.4824","0.0007","79.6653","0.0007","63.0215","0.0006","84.7868","0.0007","2080.63","0.18","193","2","193.15","","","","","","","","","7","P -1","-P 1","2","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino antimony fluoride bis triflate","","- C36 H39 F7 N9 O6 S2 Sb -","- C36 H39 F7 N9 O6 S2 Sb -","- C72 H78 F14 N18 O12 S4 Sb2 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","K-L~3~","0.0586","0.0434","","","0.1033","0.1125","","","","","","1.039","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549573","10.8599","0.0007","10.9646","0.0008","20.3805","0.0014","81.217","0.002","83.234","0.002","89.295","0.002","2381.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 F9 N10 O9 P S3 -","- C39 H42 F9 N10 O9 P S3 -","- C78 H84 F18 N20 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.094","0.0539","","","0.1264","0.148","","","","","","1.0695","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549574","12.726","0.005","18.899","0.008","20.823","0.008","102.659","0.014","97.475","0.014","99.315","0.014","4750","3","150","","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C152 H162 F36 N38 O36 S12 Sb4 -","4","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0582","0.0368","","","0.0846","0.0993","","","","","","1.0632","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549575","22.679","0.007","10.176","0.003","21.562","0.006","90","","94.879","0.004","90","","4958","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 O2 -","- C27 H28 N4 O2 -","- C216 H224 N32 O16 -","8","1","","Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao","(Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins.","Chemical science","2018","9","28","6085","6090","10.1039/c8sc01882k","","","0.71073","MoKα","","0.0967","0.0444","","","0.0939","0.1222","","","","","","1.009","","","","has coordinates","228625","2020-10-21","18:00:00",""
"1549577","7.3405","0.0003","11.1063","0.0004","16.76","0.0007","83.668","0.002","77.493","0.002","78.301","0.002","1303.08","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 I4 N2 O -","- C23 H20 I4 N2 O -","- C46 H40 I8 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0745","0.0507","","","0.0977","0.1044","","","","","","1.155","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549578","7.28","0.0002","10.9585","0.0004","16.0936","0.0006","89.758","0.001","79.735","0.001","78.541","0.001","1237.53","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Br2 I2 N2 O -","- C23 H20 Br2 I2 N2 O -","- C46 H40 Br4 I4 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0473","0.0281","","","0.0546","0.0587","","","","","","1.034","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549579","8.0582","0.0003","11.0044","0.0004","17.7067","0.0006","99.618","0.002","91.239","0.002","104.624","0.002","1494.58","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F7 I2 N3 O6 S2 -","- C24 H16 F7 I2 N3 O6 S2 -","- C48 H32 F14 I4 N6 O12 S4 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0477","0.0358","","","0.0836","0.0895","","","","","","1.058","","","","has coordinates,has disorder","228712","2020-10-21","18:00:00",""
"1549580","22.337","0.002","12.7364","0.0013","10.9081","0.0011","90","","90","","90","","3103.3","0.5","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H16 F6 I2 N2 O6 S2 -","- C24 H16 F6 I2 N2 O6 S2 -","- C96 H64 F24 I8 N8 O24 S8 -","4","0.5","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0609","0.0383","","","0.0783","0.0868","","","","","","1.129","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549581","10.9739","0.0012","17.8839","0.0019","12.1266","0.0012","90","","102.951","0.003","90","","2319.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 F I2 N3 -","- C22 H16 Br2 F I2 N3 -","- C88 H64 Br8 F4 I8 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.061","0.0362","","","0.0739","0.0821","","","","","","1.085","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549582","17.086","0.003","18.092","0.003","13.3174","0.0018","90","","111.458","0.004","90","","3831.3","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F I4 N3 -","- C36 H44 F I4 N3 -","- C144 H176 F4 I16 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0684","0.0465","","","0.1124","0.1247","","","","","","1.149","","","","has coordinates,has disorder","228712","2020-10-21","18:00:00",""
"1549583","9.1408","0.0003","18.1854","0.0006","13.7305","0.0005","90","","100.82","0.001","90","","2241.83","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 I2 N2 -","- C22 H16 Cl2 I2 N2 -","- C88 H64 Cl8 I8 N8 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0398","0.0272","","","0.0591","0.0634","","","","","","1.064","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549591","10.664","0.003","10.372","0.002","14.789","0.004","90","","104.778","0.006","90","","1581.7","0.7","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","ethyl (R)-6-methoxy-2-oxo-4-(1-tosyl-1H-indol-2-yl)-3,4-dihydro-2H-naphtho[2,1-e][1,3]oxazine-4-carboxylate","","","- C32 H27 Cl3 N2 O7 S -","- C32 H27 Cl3 N2 O7 S -","- C64 H54 Cl6 N4 O14 S2 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0361","0.0318","","","0.0794","0.0814","","","","","","1.041","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549592","5.8577","0.0016","14.389","0.004","9.621","0.003","90","","94.654","0.006","90","","808.2","0.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methyl (S)-(1-(3-bromophenyl)-2-hydroxy-1-(5-methoxyfuran-2-yl)ethyl)carbamate","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C30 H32 Br2 N2 O10 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0297","0.0248","","","0.0504","0.0508","","","","","","0.826","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549593","11.4778","0.0015","13.6448","0.0018","36.849","0.005","90","","90","","90","","5771","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-3,3'-Di([1,1':3',1''-terphenyl]-5'-yl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diyl bis(dihydrogen phosphate) pyridinium salt","","","- C67 H60 Cl2 N2 O8 P2 -","- C67 H60 Cl2 N2 O8 P2 -","- C268 H240 Cl8 N8 O32 P8 -","4","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0494","0.0374","","","0.0884","0.0944","","","","","","1.017","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549594","12.7831","0.0018","14.6459","0.0016","14.8","0.002","116.231","0.011","101.896","0.013","102.26","0.02","2282.2","0.7","93","2","93","2","","","","","","","","4","P -1","-P 1","2","2'-((Hydroxy(isopropoxy)phosphoryl)oxy)-3-(2,4,6-tricyclohexylphenyl)-[1,1'-binaphthalen]-2-yl dihydrogen phosphate (R/S-Dimer)","","","- C47 H56 O8 P2 -","- C47 H56 O8 P2 -","- C94 H112 O16 P4 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0538","0.0477","","","0.1472","0.151","","","","","","1.091","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549595","7.8572","0.0013","10.5461","0.0018","14.099","0.002","70.648","0.002","88.911","0.002","85.089","0.003","1098.2","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 F N2 O4 -","- C26 H27 F N2 O4 -","- C52 H54 F2 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0787","0.0527","","","0.1088","0.1202","","","","","","1.052","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549596","7.945","0.003","10.546","0.003","14.045","0.004","70.523","0.004","88.065","0.004","83.805","0.005","1103","0.6","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C52 H56 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0906","0.0538","","","0.1188","0.136","","","","","","1.022","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549597","7.6953","0.0009","15.2435","0.0018","18.799","0.002","90","","97.426","0.002","90","","2186.7","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.067","0.045","","","0.0977","0.1057","","","","","","1.026","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549610","13.0333","0.0006","16.6343","0.0007","19.8726","0.0009","90","","96.392","0.002","90","","4281.6","0.3","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-nickel(II)","","- C51 H59 N2 Ni S -","- C51 H59 N2 Ni S -","- C204 H236 N8 Ni4 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0448","0.0328","","","0.0729","0.0777","","","","","","1.013","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549611","12.686","0.003","19.394","0.005","30.321","0.008","88.294","0.005","80.235","0.005","81.137","0.005","7264","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-nickel(II)","","- C55.66667 H72 N2 Ni S -","- C55.6667 H72 N2 Ni S -","- C334 H432 N12 Ni6 S6 -","6","3","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1841","0.0698","","","0.0944","0.1236","","","","","","0.963","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549612","18.558","0.0009","16.822","0.0008","19.0552","0.001","90","","96.441","0.003","90","","5911.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C102 H172 K2 N4 Ni2 O12 S2 -","- C102 H154 K2 N4 Ni2 O12 S2 -","- C204 H308 K4 N8 Ni4 O24 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1786","0.0845","","","0.2132","0.2636","","","","","","1.012","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549613","12.7125","0.0006","22.4934","0.0011","20.0532","0.0012","90","","102.126","0.004","90","","5606.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-nickel(II)-potassium","","- C53 H89 K N4 Ni O6 S -","- C53 H89 K N4 Ni O6 S -","- C212 H356 K4 N16 Ni4 O24 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1259","0.0601","","","0.1175","0.1404","","","","","","0.964","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549614","13.1937","0.0013","13.2978","0.0013","16.6951","0.0016","88.621","0.002","74.52","0.002","88.213","0.002","2821.1","0.5","108","2","108","2","","","","","","","","7","P -1","-P 1","2","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C56 H80 K N2 Ni O6 S -","- C56 H80 K N2 Ni O6 S -","- C112 H160 K2 N4 Ni2 O12 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0642","0.0397","","","0.1098","0.1304","","","","","","0.86","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549615","11.847","0.003","13.438","0.003","19.455","0.005","94.052","0.005","95.344","0.006","91.766","0.006","3073.9","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Thiohyponitrite-κ2-O,S)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C108.5 H175 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","1","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1868","0.0906","","","0.2564","0.3121","","","","","","1.017","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549619","6.8489","0.0002","15.7645","0.0005","19.4642","0.0005","90","","90","","90","","2101.54","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 I N2 O3 -","- C24 H23 I N2 O3 -","- C96 H92 I4 N8 O12 -","4","1","","Meazza, Marta; Kamlar, Martin; Jašíková, Lucie; Formánek, Bedřich; Mazzanti, Andrea; Roithová, Jana; Veselý, Jan; Rios, Ramon","Synergistic formal ring contraction for the enantioselective synthesis of spiropyrazolones.","Chemical science","2018","9","30","6368","6373","10.1039/c8sc00913a","","","0.71073","MoKα","","0.0313","0.027","","","0.0602","0.0617","","","","","","1.035","","","","has coordinates","228806","2020-10-21","18:00:00",""
"1549620","19.1685","0.0005","5.7871","0.0003","14.8903","0.0003","90","","90","","90","","1651.78","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Li, Wei; Wollenburg, Marco; Glorius, Frank","Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones.","Chemical science","2018","9","29","6260","6263","10.1039/c8sc01869c","","","0.71073","MoKα","","0.0515","0.0445","","","0.0873","0.0915","","","","","","1.091","","","","has coordinates","228623","2020-10-21","18:00:00",""
"1549621","9.3334","0.0015","19.56","0.003","13.636","0.002","90","","94.259","0.005","90","","2482.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0779","0.0465","","","0.1231","0.1448","","","","","","1.036","","","","has coordinates","228626","2020-10-21","18:00:00",""
"1549622","13.3069","0.0005","18.6034","0.0009","27.4104","0.0012","90","","102.321","0.002","90","","6629.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 N10 O8 Zn -","- C66 H44 N10 O8 Zn -","- C264 H176 N40 O32 Zn4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","1.54178","CuKα","","0.0767","0.0625","","","0.1908","0.2004","","","","","","1.096","","","","has coordinates,has disorder","228626","2020-10-21","18:00:00",""
"1549623","10.4399","0.0014","11.3331","0.0015","13.2139","0.0018","100.001","0.002","99.774","0.002","99.056","0.002","1488.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N6 O7 Zn -","- C33 H22 N6 O7 Zn -","- C66 H44 N12 O14 Zn2 -","2","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0854","0.0506","","","0.1376","0.1717","","","","","","0.996","","","","has coordinates","228626","2020-10-21","18:00:00",""
"1549629","12.8973","0.0007","12.5342","0.0006","17.2106","0.0008","90","","98.668","0.002","90","","2750.4","0.2","100","2","100.04","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C48 H86 B Fe K2 N2 O6 P3 -","- C48 H86 B Fe K2 N2 O6 P3 -","- C96 H172 B2 Fe2 K4 N4 O12 P6 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0408","0.0315","","","0.0658","0.069","","","","","","1.021","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549630","11.3464","0.0004","35.5398","0.0014","15.8541","0.0006","90","","90.839","0.001","90","","6392.5","0.4","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H95 B Fe K N2 O10 P3 -","- C64 H95 B Fe K N2 O10 P3 -","- C256 H380 B4 Fe4 K4 N8 O40 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0593","0.0389","","","0.08","0.0872","","","","","","1.039","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549631","11.3085","0.0005","24.2407","0.0012","37.5101","0.0018","90","","90","","90","","10282.5","0.8","100","2","99.97","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H81 B Fe N3 P3 Si2 -","- C47 H81 B Fe N3 P3 Si2 -","- C376 H648 B8 Fe8 N24 P24 Si16 -","8","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0689","0.0567","","","0.1215","0.1258","","","","","","1.19","","","","has coordinates","228622","2020-10-21","18:00:00",""
"1549632","12.4653","0.0018","13.091","0.003","21.997","0.003","97.411","0.01","95.734","0.004","117.826","0.008","3095","1","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H85 B Fe K N2 O P3 Si -","- C49 H85 B Fe K N2 O P3 Si -","- C98 H170 B2 Fe2 K2 N4 O2 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0555","0.0397","","","0.0957","0.1014","","","","","","1.03","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549633","27.577","0.003","15.5573","0.0016","38.526","0.004","90","","100.863","0.001","90","","16232","3","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.22 H90.92 B2 F24 Fe N P3 -","- C79.215 H90.916 B2 F24 Fe N P3 -","- C633.72 H727.328 B16 F192 Fe8 N8 P24 -","8","2","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.1044","0.0748","","","0.1845","0.1984","","","","","","1.124","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549634","7.8295","0.0007","25.776","0.002","11.1821","0.0011","90","","128.014","0.003","90","","1778","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B10 N -","- C14 H21 B10 N -","- C56 H84 B40 N4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.1213","0.089","","","0.2349","0.2559","","","","","","1.053","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549635","11.4617","0.0004","7.484","0.0003","23.7344","0.0008","90","","96.0865","0.0014","90","","2024.45","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 Cl N O -","- C14 H24 B10 Cl N O -","- C56 H96 B40 Cl4 N4 O4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","1.54178","CuKα","","0.0664","0.0542","","","0.145","0.1569","","","","","","1.034","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549636","7.224","0.0003","24.584","0.0011","11.2382","0.0005","90","","90","","90","","1995.85","0.15","297","2","297","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C18 H22 B10 N -","- C18 H22 B10 N -","- C72 H88 B40 N4 -","4","0.5","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.0542","0.0496","","","0.139","0.1439","","","","","","1.054","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549637","17.2923","0.0011","17.2923","0.0011","13.9863","0.001","90","","90","","120","","3621.9","0.4","103","2","103","2","","","","","","","","5","R -3","-R 3","148","BP151","","","- C30 H21.45 Cl O0.22 Si -","- C30 H21 Cl O0.225 Si -","- C180 H126 Cl6 O1.35 Si6 -","6","","","Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L.","Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster","Chemical Science","2018","","","","","10.1039/C8SC01889H","","","0.71073","MoKα","","0.0704","0.0481","","","0.1166","0.1288","","","","","","1.026","","","","has coordinates","208728","2020-10-21","18:00:00",""
"1549638","10.8826","0.0004","34.7232","0.0014","7.28","0.0003","90","","104.291","0.002","90","","2665.83","0.18","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BP210","","","- C34 H34 O Si -","- C34 H34 O Si -","- C136 H136 O4 Si4 -","4","1","","Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L.","Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster","Chemical Science","2018","","","","","10.1039/C8SC01889H","","","0.71073","MoKα","","0.0643","0.0551","","","0.1315","0.1373","","","","","","1.078","","","","has coordinates","208728","2020-10-21","18:00:00",""
"1549640","10.118","0.001","14.0353","0.0014","28.194","0.003","90","","90","","90","","4003.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 Br N O3 -","- C49 H48 Br N O3 -","- C196 H192 Br4 N4 O12 -","4","1","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0714","0.0537","","","0.1295","0.1392","","","","","","1.04","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549641","14.151","0.003","14.717","0.004","16.184","0.003","90","","111.316","0.006","90","","3139.9","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O4 -","- C35 H41 N2 O4 -","- C140 H164 N8 O16 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0722","0.0679","","","0.1771","0.1835","","","","","","0.951","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549642","11.571","0.003","25.09","0.006","11.915","0.004","90","","90","","90","","3459.1","1.7","106","2","106","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H43 N2 O6 S -","- C36 H43 N2 O6 S -","- C144 H172 N8 O24 S4 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.128","0.0701","","","0.1512","0.1747","","","","","","0.933","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549643","24.731","0.005","14.057","0.003","25.496","0.005","90","","112.797","0.004","90","","8171","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H132 Dy10 N32 O54 P4 -","- C138 H132 Dy10 N32 O54 P4 -","- C276 H264 Dy20 N64 O108 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.13","0.0935","","","0.2373","0.2675","","","","","","1.086","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549644","24.653","0.003","14.5645","0.0019","26.067","0.003","90","","112.969","0.003","90","","8617.5","1.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1733","0.1021","","","0.2161","0.2725","","","","","","1.004","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549645","24.6145","0.0016","14.5657","0.0011","26.0805","0.0018","90","","112.968","0.002","90","","8609.3","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1247","0.0832","","","0.1761","0.2017","","","","","","1.047","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549646","25.525","0.006","14.312","0.004","25.318","0.006","90","","111.413","0.005","90","","8611","4","373","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H112 Dy10 N32 O50 P4 -","- C134 H116 Dy10 N32 O50 P4 -","- C268 H232 Dy20 N64 O100 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.2614","0.1482","","","0.2886","0.3499","","","","","","1.042","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549647","26.7135","0.0007","26.7135","0.0007","71.325","0.004","90","","90","","120","","44079","3","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C1260 H1188 Cl54 Dy90 N288 O468 P36 -","9","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.0755","0.0617","","","0.1319","0.1459","","","","","","0.987","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549648","33.833","0.003","18.7022","0.0013","36.604","0.004","90","","111.908","0.0015","90","","21489","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C560 H960 Cu104 F48 N48 O64 P8 S96 -","8","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.2242","0.1473","","","0.3014","0.3241","","","","","","1.114","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549649","18.2449","0.0013","23.218","0.0015","23.3841","0.0017","90","","90","","90","","9905.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H120 Cu12 N6 O8 S13 -","- C70 H120 Cu12 N6 O8 S13 -","- C280 H480 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1096","0.0717","","","0.182","0.2124","","","","","","1.069","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549650","21.8103","0.0005","22.977","0.0006","22.0395","0.0006","90","","90","","90","","11044.8","0.5","100","2","100","2","","","","","","","","9","P n n a","-P 2a 2bc","52","","","","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C340 H408 Cl2.8 Cu49.2 F120 N24 O4 P4 S48 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0508","0.045","","","0.1084","0.1122","","","","","","1.099","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549651","17.6501","0.0006","19.8146","0.0006","32.8484","0.0011","86.5157","0.0009","89.7691","0.0009","75.775","0.0008","11114.5","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C350 H524 Cl4 Cu48 F24 N24 O2 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0893","0.0664","","","0.1885","0.2022","","","","","","1.107","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549652","17.7551","0.0015","19.6625","0.0017","32.767","0.003","85.8425","0.0017","85.698","0.0017","76.1094","0.0016","11055.9","1.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H128 Br Cu12 F6 N6 P S12 -","- C86 H128 Br Cu12 F6 N6 P S12 -","- C344 H512 Br4 Cu48 F24 N24 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.17","0.0806","","","0.2095","0.2652","","","","","","1.047","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549653","31.396","0.003","19.8294","0.0017","33.181","0.003","90","","97.8261","0.0017","90","","20465","3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C528 H936 Cl20 Cu96 F24 N48 O48 P4 S96 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1563","0.0997","","","0.2132","0.2334","","","","","","1.015","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549654","19.1023","0.0009","23.8001","0.0011","24.5421","0.0012","90","","90","","90","","11157.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C74 H128 Cu12 N6 O8 S13 -","- C74 H128 Cu12 N6 O8 S13 -","- C296 H512 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0592","0.049","","","0.1406","0.15","","","","","","1.043","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549655","10.175","0.002","16.218","0.003","16.588","0.003","84.402","0.006","81.108","0.007","76.3","0.007","2622.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Fe N5 O4 S2 -","- C52 H62 Fe N5 O4 S2 -","- C104 H124 Fe2 N10 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","x-ray","0.71073","MoKα","","0.1327","0.0961","","","0.2401","0.2653","","","","","","1.041","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549656","17.4061","0.0012","10.7648","0.0008","31.052","0.002","90","","91.3044","0.0009","90","","5816.8","0.7","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H87 Co N6 O4.5 S2 -","- C61.5 H87 Co N6 O4.875 S2 -","- C246 H348 Co4 N24 O19.5 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0888","0.0718","","","0.1912","0.2053","","","","","","1.046","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549657","16.1329","0.0011","27.6083","0.0019","13.2048","0.0009","90","","105.613","0.0008","90","","5664.4","0.7","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Ga N5 O6 S2 -","- C50 H72 Ga N5 O6 S2 -","- C200 H288 Ga4 N20 O24 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0762","0.0624","","","0.1769","0.1888","","","","","","1.051","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549658","18.006","0.002","18.271","0.002","18.568","0.002","110.972","0.0012","109.602","0.0013","95.477","0.0013","5209.6","1","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Co N5 O5 S2 -","- C56 H70 Co N5 O5 S2 -","- C224 H280 Co4 N20 O20 S8 -","4","2","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1096","0.079","","","0.2105","0.2437","","","","","","1.009","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549659","9.4615","0.0009","18.3994","0.0018","18.765","0.0019","107.605","0.0012","100.024","0.0012","93.8094","0.0012","3041.4","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H93 Fe N5 O6 S2 -","- C59 H93 Fe N5 O6 S2 -","- C118 H186 Fe2 N10 O12 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0995","0.0785","","","0.2149","0.2349","","","","","","1.032","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549660","10.6709","0.0011","17.4933","0.0018","17.8715","0.0018","113.478","0.0012","98.8759","0.0012","91.3574","0.0013","3009.9","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Fe N6 O4 S2 -","- C60 H82 Fe N6 O4 S2 -","- C120 H164 Fe2 N12 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1044","0.0895","","","0.2428","0.2597","","","","","","1.036","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549663","9.3819","0.0002","10.3076","0.0002","10.6318","0.0003","90.7648","0.0007","114.212","0.0009","100.138","0.001","918.87","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","1","","Leitch, Jamie A.; Fuentes de Arriba, Angel L.; Tan, Joanne; Hoff, Oskar; Martínez, Carlos M; Dixon, Darren J.","Photocatalytic reverse polarity Povarov reaction.","Chemical science","2018","9","32","6653","6658","10.1039/c8sc01704b","","","0.71073","MoKα","","0.0449","0.0376","","0.0982","0.0923","0.0982","","","","","","1.0045","","","","has coordinates","228670","2020-10-21","18:00:00",""
"1549671","15.9653","0.0003","17.691","0.0004","18.2258","0.0005","61.811","0.002","88.11","0.002","64.125","0.002","3983.8","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","1","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0496","0.0406","","","0.1124","0.1174","","","","","","1.032","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549672","18.5382","0.0015","25.36","0.0016","19.6509","0.0016","90","","116.08","0.01","90","","8297.8","1.3","97","","97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C152 H164 Cu4 O34 -","- C152 H164 Cu4 O34 -","- C304 H328 Cu8 O68 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0635","0.0468","","","0.1223","0.1301","","","","","","1.028","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549673","17.9146","0.0002","18.0902","0.0003","27.6891","0.0003","77.345","0.001","83.125","0.001","61.947","0.001","7725.35","0.19","92","","92","","","","","","","","","5","P -1","-P 1","2","","","","- C108.67 H59 N O24 Rh4 -","- C108.667 H59 N O24 Rh4 -","- C217.333 H118 N2 O48 Rh8 -","2","1","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0687","0.0568","","","0.1585","0.1693","","","","","","1.035","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549676","12.8157","0.0008","8.8179","0.0005","15.3168","0.0009","90","","106.818","0.002","90","","1656.88","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 N7 Ni O9 -","- C10 H24 N7 Ni O9 -","- C40 H96 N28 Ni4 O36 -","4","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0231","0.0206","","","0.0531","0.0543","","","","","","1.063","","","","has coordinates","228807","2020-10-21","18:00:00",""
"1549677","7.371","0.005","8.496","0.004","9.08","0.005","89.163","0.003","76.951","0.005","81.894","0.004","548.3","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","1","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0408","0.0355","","","0.1008","0.118","","","","","","1.187","","","","has coordinates,has disorder","228807","2020-10-21","18:00:00",""
"1549678","7.4549","0.0013","9.0814","0.0016","16.935","0.003","88.505","0.007","81.132","0.007","76.008","0.007","1099.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 N9 Ni O15 -","- C10 H26 N9 Ni O15 -","- C20 H52 N18 Ni2 O30 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0549","0.0337","","","0.0878","0.1241","","","","","","1.1","","","","has coordinates","228807","2020-10-21","18:00:00",""
"1549679","7.59","0.06","8.72","0.07","15.75","0.12","83.72","0.09","81.37","0.09","80.39","0.11","1012","14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl N6 Ni O4 S2 -","- C12 H24 Cl N6 Ni O4 S2 -","- C24 H48 Cl2 N12 Ni2 O8 S4 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0983","0.0651","","","0.1423","0.1587","","","","","","1.017","","","","has coordinates,has disorder","228807","2020-10-21","18:00:00",""
"1549682","13.2969","0.0004","22.3943","0.0005","25.1034","0.0006","90","","90","","90","","7475.2","0.3","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl9 N7 O8 -","- C72 H72 Cl9 N7 O8 -","- C288 H288 Cl36 N28 O32 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","","1.54178","CuKα","","0.0733","0.062","","","0.1603","0.1709","","","","","","1.033","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549683","9.7198","0.0006","18.6592","0.0011","14.0802","0.0012","90","","90.161","0.007","90","","2553.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl3 N8 O5 -","- C53 H53 Cl3 N8 O5 -","- C106 H106 Cl6 N16 O10 -","2","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0884","0.0614","","","0.1542","0.1719","","","","","","1.034","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549684","15.5782","0.0006","18.4753","0.0005","24.4315","0.0007","90","","91.976","0.003","90","","7027.5","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H87.5 N8 O11.75 -","- C72 H87.5 N8 O11.75 -","- C288 H350 N32 O47 -","4","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.1089","0.0579","","","0.1297","0.1572","","","","","","0.981","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549685","22.0413","0.0003","23.2593","0.0004","25.4959","0.0005","90","","90","","90","","13070.9","0.4","150.02","0.1","150.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.79 H77.17 N7 O10.4 -","- C70.7915 H77.375 N7 O10.396 -","- C566.332 H619 N56 O83.168 -","8","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1617","0.1757","","","","","","1.015","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549686","10.5967","0.0004","21.5835","0.0008","28.6986","0.0006","90","","90","","90","","6563.8","0.4","150.06","0.1","150.06","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.57 H83.27 N7 O9.57 -","- C70.568 H83.272 N7 O9.568 -","- C282.272 H333.088 N28 O38.272 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0806","0.0687","","","0.1928","0.2035","","","","","","1.061","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549687","25.043","0.004","10.3564","0.0018","8.256","0.002","90","","90","","90","","2141.2","0.7","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,14-dibromo-5,10-diphenyltripyrrin","1,14-dibromo-5,10-diphenyltripyrrin","","- C26 H17 Br2 N3 -","- C26 H17 Br2 N3 -","- C104 H68 Br8 N12 -","4","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.017","0.0158","","","0.0411","0.0414","","","","","","1.01","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549688","14.7058","0.0008","15.449","0.0007","16.6352","0.0009","90.453","0.004","101.803","0.005","113.116","0.005","3386","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","1,14-bis(p-methoxyanilino)-5,10-diphenyltripyrrin","1,14-bis(p-methoxyanilino)-5,10-diphenyltripyrrin","","- C81 H67 Cl3 N10 O4 -","- C81 H67 Cl3 N10 O4 -","- C162 H134 Cl6 N20 O8 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1974","0.1689","","","0.4201","0.437","","","","","","1.111","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549689","10.1411","0.0005","25.4006","0.0011","12.1107","0.0006","90","","94.978","0.005","90","","3107.8","0.3","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,14-bis(N-methylanilino)-5,10-diphenyltripyrrin","1,14-bis(N-methylanilino)-5,10-diphenyltripyrrin","","- C40 H33 N5 -","- C40 H33 N5 -","- C160 H132 N20 -","4","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1254","0.0593","","","0.1162","0.1406","","","","","","1.012","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549690","21.584","0.003","14.4183","0.0019","25.314","0.003","90","","94.247","0.004","90","","7856.2","1.8","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","","- C47.5 H49 Cl N5 -","- C47.5 H49 Cl N5 -","- C380 H392 Cl8 N40 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0499","0.0418","","","0.1089","0.1139","","","","","","1.054","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549691","11.495","0.004","11.813","0.004","16.576","0.007","90.499","0.009","110.07","0.012","105.303","0.009","2026.9","1.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","","- C52 H45 N5 O2 -","- C52 H45 N5 O2 -","- C104 H90 N10 O4 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0584","0.0416","","","0.1017","0.1104","","","","","","1.025","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549692","12.9577","0.0002","14.3835","0.0002","20.7824","0.0005","88.275","0.002","83.194","0.002","84.955","0.001","3830.41","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","1,14-bis(m-bis(trifluoromethyl)phenyl)-5,10-diphenyltripyrrin","1,14-bis(m-bis(trifluoromethyl)phenyl)-5,10-diphenyltripyrrin","","- C85 H52 Cl2 F24 N10 -","- C85.0003 H52.0006 Cl2.0006 F24 N10 -","- C170.001 H104.001 Cl4.0012 F48 N20 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1478","0.1391","","","0.402","0.4053","","","","","","1.073","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549693","20.794","0.004","13.875","0.002","25.322","0.005","90","","102.958","0.003","90","","7120","2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","","- C43 H34 F6 N5 -","- C43 H27 F6 N5 -","- C344 H216 F48 N40 -","8","2","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0983","0.064","","","0.164","0.1861","","","","","","1.025","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1549694","18.523","0.004","9.319","0.002","19.109","0.004","90","","95.74","0.005","90","","3282","1.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,14-diphenyl-5,10-diphenyltripyrrin","1,14-diphenyl-5,10-diphenyltripyrrin","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C160 H148 N20 O8 -","4","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0822","0.0457","","","0.1041","0.1228","","","","","","1.032","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549695","12.176","0.01","12.713","0.014","13.64","0.009","99.304","0.018","104.311","0.008","115.26","0.03","1762","3","93","2","93","2","","","","","","","","3","P -1","-P 1","2","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","","- C44 H41 N5 -","- C44 H41 N5 -","- C88 H82 N10 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0616","0.0408","","","0.102","0.1113","","","","","","1.004","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549696","13.751","0.004","15.095","0.004","26.536","0.006","90","","100.513","0.004","90","","5416","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-anilino-14-bromo-5,10-diphenyltripyrrin","1-anilino-14-bromo-5,10-diphenyltripyrrin","","- C33.5 H26 Br N4 O0.5 -","- C33.5 H26 Br N4 O0.5 -","- C268 H208 Br8 N32 O4 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0707","0.0421","","","0.0932","0.1069","","","","","","1.001","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549697","13.025","0.003","14.1499","0.0019","18.8806","0.0019","87.297","0.014","73.304","0.015","82.748","0.017","3306.2","1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","","- C40 H27 F6 N5 -","- C40 H27 F6 N5 -","- C160 H108 F24 N20 -","4","2","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0435","0.0367","","","0.0969","0.1","","","","","","1.048","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1549698","50.519","0.007","50.519","0.007","13.4259","0.0019","90","","90","","120","","29675","7","93","2","93","2","","","","","","","","4","R -3","-R 3","148","1,14-dianilino-5,10-diphenyltripyrrin","1,14-dianilino-5,10-diphenyltripyrrin","","- C79.98 H59 Cl3 N10 -","- C79.98 H59 Cl3 N10 -","- C1439.64 H1062 Cl54 N180 -","18","","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.1213","0.0738","","","0.188","0.2208","","","","","","1.004","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549699","6.5341","0.0012","12.836","0.002","20.895","0.003","106.223","0.012","90.002","0.015","91.44","0.02","1682.1","0.5","93","2","93","2","","","","","","","","3","P -1","-P 1","2","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","","- C46 H33 N5 -","- C46 H33 N5 -","- C92 H66 N10 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0543","0.0411","","","0.1122","0.118","","","","","","1.011","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549700","30.1086","0.0003","31.9945","0.0004","46.8128","0.0007","90","","90","","90","","45095.2","1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","","- C252 H300 N20 -","- C252 H300 N20 -","- C2016 H2400 N160 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1283","0.0793","","","0.2166","0.2596","","","","","","1.013","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549705","13.2989","0.0003","13.2989","0.0003","17.4417","0.0006","90","","90","","90","","3084.75","0.14","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H60 B F24 Fe P4 -","- C52 H60 B F24 Fe P4 -","- C104 H120 B2 F48 Fe2 P8 -","2","0.25","","Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E.","Reversible coordination of N<sub>2</sub> and H<sub>2</sub> to a homoleptic <i>S</i> = 1/2 Fe(i) diphosphine complex in solution and the solid state.","Chemical science","2018","9","37","7362","7369","10.1039/c8sc01841c","","","0.71073","MoKα","","0.0596","0.0466","","","0.0997","0.1067","","","","","","1.042","","","","has coordinates,has disorder","228659","2020-10-21","18:00:00",""
"1549706","11.268","0.002","16.335","0.003","9.5163","0.0019","90","","114.91","0.03","90","","1588.6","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lv, Honggui; Xiao, Li-Jun; Zhao, Dongbing; Zhou, Qi-Lin","Nickel(0)-catalyzed linear-selective hydroarylation of unactivated alkenes and styrenes with aryl boronic acids.","Chemical science","2018","9","33","6839","6843","10.1039/c8sc02101e","","","0.71073","MoKα","","0.083","0.0568","","","0.1233","0.1393","","","","","","1.072","","","","has coordinates","228683","2020-10-21","18:00:00",""
"1549707","12.7848","0.0008","13.0223","0.0008","13.1304","0.0009","93.792","0.003","92.468","0.003","90.347","0.003","2179.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Fe(IV)-nitroxyl","[Fe(NO)(TAML)]-","","- C47 H52 Fe N5 O6 P -","- C47 H52 Fe N5 O6 P -","- C94 H104 Fe2 N10 O12 P2 -","2","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.0423","0.0348","","","0.0874","0.0938","","","","","","1.027","","","","has coordinates","228847","2020-10-21","18:00:00",""
"1549708","18.404","0.004","18.521","0.004","17.725","0.003","90","","102.745","0.003","90","","5893","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(III)(NO2)(TAML)","Fe(III)-nitrito","","- C51 H94 Fe N7 O6 -","- C51 H94 Fe N7 O6 -","- C204 H376 Fe4 N28 O24 -","4","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.1091","0.0819","","","0.2515","0.2745","","","","","","1.063","","","","has coordinates,has disorder","228847","2020-10-21","18:00:00",""
"1549709","11.0216","0.0004","14.4762","0.0005","14.5765","0.0006","83.804","0.001","85.851","0.001","69.748","0.001","2167.64","0.14","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 F12 N7 P2 Ru -","- C39 H33 F12 N7 P2 Ru -","- C78 H66 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0305","0.0298","","","0.0806","0.0813","","","","","","1.028","","","","has coordinates,has disorder","228669","2020-10-21","18:00:00",""
"1549710","11.9502","0.0004","13.3979","0.0004","13.5014","0.0004","82.904","0.001","83.437","0.001","79.213","0.001","2097.98","0.11","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 F12 N7 P2 Ru -","- C39 H29 F12 N7 P2 Ru -","- C78 H58 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.05","0.0473","","","0.1275","0.1296","","","","","","1.064","","","","has coordinates","228669","2020-10-21","18:00:00",""
"1549711","18.547","0.0004","23.5958","0.0006","17.833","0.0004","90","","119.975","0.001","90","","6760.4","0.3","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H25 F3 N4 O2 P0.5 Ru -","- C30 H25 F3 N4 O2 P0.5 Ru -","- C240 H200 F24 N32 O16 P4 Ru8 -","8","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0456","0.0402","","","0.0983","0.102","","","","","","1.097","","","","has coordinates","228669","2020-10-21","18:00:00",""
"1549716","20.7206","0.0004","9.8606","0.0002","6.3486","0.0001","90","","90","","90","","1297.13","0.04","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","","Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J.","Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles.","Chemical science","2018","9","34","6969","6974","10.1039/c8sc01804a","","","1.54184","CuKα","","0.0378","0.0372","","0.1075","0.1067","0.1075","","","","","","0.9904","","","","has coordinates,has disorder","228846","2020-10-21","18:00:00",""
"1549723","14.3151","0.0003","6.8774","0.0001","23.4347","0.0005","90","","106.959","0.0007","90","","2206.84","0.07","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl4 Rh -","- C24 H19 Cl4 Rh -","- C96 H76 Cl16 Rh4 -","4","1","","Yang, Junfeng; Shen, Yixiao; Lim, Yang Jie; Yoshikai, Naohiko","Divergent ring-opening coupling between cyclopropanols and alkynes under cobalt catalysis.","Chemical science","2018","9","34","6928","6934","10.1039/c8sc02074d","","","0.71073","MoKα","","0.0387","0.0292","","","0.0611","0.066","","","","","","1.043","","","","has coordinates","228848","2020-10-21","18:00:00",""
"1549724","12.069","0.0005","30.5791","0.0011","36.076","0.002","90","","90","","90","","13314.2","1","150.02","0.1","150.02","0.1","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C15 H9 F7.05 -","- C15 H9 F7.0485 -","- C600 H360 F281.94 -","40","5","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.2122","0.1041","","","0.2713","0.3542","","","","","","1.035","","","","has coordinates,has disorder","228839","2020-10-21","18:00:00",""
"1549725","13.442","0.002","13.4424","0.0016","7.0546","0.001","90","","93.892","0.014","90","","1271.8","0.3","149.9","0.4","149.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F2 O2 -","- C15 H12 F2 O2 -","- C60 H48 F8 O8 -","4","1","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.1303","0.0661","","","0.1292","0.1633","","","","","","1.016","","","","has coordinates","228839","2020-10-21","18:00:00",""
"1549726","8.4746","0.0007","9.5148","0.0007","45.506","0.003","90","","91.765","0.004","90","","3667.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Cl5 Cu N2 O6 S2 -","- C29 H39 Cl5 Cu N2 O6 S2 -","- C116 H156 Cl20 Cu4 N8 O24 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0865","0.0659","","","0.1682","0.188","","","","","","1.084","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549727","13.7982","0.0005","5.5253","0.0002","24.9052","0.0008","90","","103.39","0.002","90","","1847.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O2 S2 -","- C21 H20 O2 S2 -","- C84 H80 O8 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0654","0.0432","","","0.1213","0.1555","","","","","","1.124","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549730","32.7","0.018","10.89","0.006","30.813","0.017","90","","114.97","0.007","90","","9947","10","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H60 Cu9 N36 O6 S -","- C98 H60 Cu9 N36 O6 S -","- C392 H240 Cu36 N144 O24 S4 -","4","0.5","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","0.71073","MoKα","","0.1236","0.0696","","","0.1833","0.2138","","","","","","0.999","","","","has coordinates","228859","2020-10-21","18:00:00",""
"1549731","14.7327","0.0003","47.3434","0.0008","51.2702","0.0008","90","","97.581","0.002","90","","35448.2","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C294 H180 Cu27 N114 O4 S -","- C294 H180 Cu27 N114 O4 S -","- C1176 H720 Cu108 N456 O16 S4 -","4","1","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","1.54184","CuKα","","0.0942","0.0655","","","0.1286","0.1412","","","","","","1.023","","","","has coordinates,has disorder","228859","2020-10-21","18:00:00",""
"1549741","10.7394","0.0011","10.7693","0.001","12.2067","0.0012","90","","90","","90","","1411.8","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η8-cyclooctatetraenyl)-bis(acetonitrile)-erbium-iodide","","- C12 H14 Er I N2 -","- C12 H14 Er I N2 -","- C48 H56 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0261","0.0223","","","0.0368","0.0378","","","","","","0.945","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549742","8.4793","0.0007","9.3962","0.0007","22.2154","0.0017","90","","97.496","0.004","90","","1754.8","0.2","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(tetrahydrofuran)-erbium-iodide","","- C16 H24 Er I O2 -","- C16 H24 Er I O2 -","- C64 H96 Er4 I4 O8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0387","0.03","","","0.0611","0.0653","","","","","","1.171","","","","has coordinates,has disorder","228837","2020-10-21","18:00:00",""
"1549743","10.818","0.0008","8.8916","0.0006","18.3519","0.0013","90","","96.53","0.002","90","","1753.8","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(pyridine)-erbium-iodide","","- C18 H18 Er I N2 -","- C18 H18 Er I N2 -","- C72 H72 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0171","0.0149","","","0.0363","0.0376","","","","","","1.08","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549744","8.2903","0.0012","31.84","0.005","10.584","0.003","90","","102.02","0.007","90","","2732.5","1","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η8-cyclooctatetraenyl)-tris(3,5-dimethyl-1-pyrazolyl)borate erbium","","- C27 H38 B Er N6 O -","- C27 H38 B Er N6 O -","- C108 H152 B4 Er4 N24 O4 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0475","0.0318","","","0.0513","0.058","","","","","","1.098","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549745","13.0203","0.0007","10.3915","0.0006","12.893","0.0007","90","","103.151","0.002","90","","1698.68","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F3 N2 O2 -","- C16 H21 F3 N2 O2 -","- C64 H84 F12 N8 O8 -","4","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0585","0.0534","","","0.1463","0.15","","","","","","1.091","","","","has coordinates","228700","2020-10-21","18:00:00",""
"1549746","11.8915","0.0004","14.4371","0.0005","15.9414","0.0006","84.9399","0.0013","77.9747","0.0013","68.7283","0.0013","2494.14","0.15","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C72.5 H129 Cl9 F8 N4 O16 Pd6 -","2","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0397","0.0322","","","0.0776","0.0816","","","","","","1.024","","","","has coordinates","228700","2020-10-21","18:00:00",""
"1549747","13.2478","0.0002","19.4015","0.0002","20.3563","0.0003","115.227","0.0006","91.1995","0.0005","105.389","0.0005","4509.24","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35 Cl3 F20 N P Pd -","- C38 H35 Cl3 F20 N P Pd -","- C152 H140 Cl12 F80 N4 P4 Pd4 -","4","2","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","0.71073","MoKα","","0.0811","0.0544","","","0.1196","0.1356","","","","","","1.04","","","","has coordinates,has disorder","228700","2020-10-21","18:00:00",""
"1549751","30.4136","0.0013","11.7318","0.0005","20.6258","0.0015","90","","129.575","0.009","90","","5672.6","0.9","373","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C112 Al8 Cl24 F224 Li8 N8 O24 -","4","0.5","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0841","0.0651","","","0.1807","0.1964","","","","","","1.092","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549752","10.6841","0.0002","18.2966","0.0003","22.3798","0.0003","90","","94.822","0.001","90","","4359.38","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 Al2 F55 N O7 -","- C24 Al2 F55 N O7 -","- C96 Al8 F220 N4 O28 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0726","0.0489","","","0.1079","0.1202","","","","","","1.039","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549753","13.1028","0.0012","29.39","0.003","14.129","0.0012","90","","99.674","0.004","90","","5363.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H8 Ag Al2 F59 O6 -","- C36 H8 Ag1.0019 Al2 F59 O6 -","- C144 H32 Ag4.0076 Al8 F236 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0782","0.0633","","","0.1652","0.1793","","","","","","0.994","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549754","15.4856","0.0004","17.6866","0.0005","22.5679","0.0006","76.093","0.001","84.023","0.001","81.617","0.001","5920.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H12 Ag Al2 F61 O6 -","- C42 H12 Ag Al2 F61 O6 -","- C168 H48 Ag4 Al8 F244 O24 -","4","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0771","0.0555","","","0.1448","0.1604","","","","","","1.047","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549755","10.8066","0.0003","13.958","0.0004","17.2977","0.0005","90","","90.19","0.002","90","","2609.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Al F27 O6 -","- C15 H6 Al F27 O6 -","- C60 H24 Al4 F108 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0721","0.0429","","","0.0991","0.1161","","","","","","0.931","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549756","14.1565","0.0005","18.4564","0.0006","14.651","0.0005","90","","91.2","0.002","90","","3827.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H8 Ag Al F40 O4 -","- C28 H8 Ag Al F40 O4 -","- C112 H32 Ag4 Al4 F160 O16 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0685","0.0446","","","0.1066","0.1172","","","","","","1.029","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549757","10.2659","0.0002","17.4605","0.0004","20.9905","0.0005","90","","99.098","0.001","90","","3715.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H12 Ag Al F34 O3 -","- C30.006 H12.004 Ag Al F34.002 O3 -","- C120.024 H48.016 Ag4 Al4 F136.008 O12 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0324","0.0276","","","0.0674","0.0704","","","","","","1.022","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549758","15.476","0.0018","16.615","0.002","18.2967","0.0019","89.488","0.004","67.742","0.004","70.537","0.004","4068.1","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C100 H116 Ag2 Al4 Br4 Cl8 F110 O12 Si4 -","2","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0327","0.0272","","","0.0665","0.0693","","","","","","1.029","","","","has coordinates","228840","2020-10-21","18:00:00",""
"1549759","35.9221","0.0016","10.7468","0.0005","19.3985","0.0009","90","","102.381","0.002","90","","7314.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Al F28 Li O12 -","- C21 H18 Al F28 Li O12 -","- C168 H144 Al8 F224 Li8 O96 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0618","0.0449","","","0.1036","0.1132","","","","","","1.037","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549760","34.3712","0.001","10.6465","0.0003","13.7845","0.0004","90","","100.452","0.001","90","","4960.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Ag B F22 O2 -","- C20 H10 Ag B F22 O2 -","- C160 H80 Ag8 B8 F176 O16 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0306","0.0265","","","0.0568","0.0581","","","","","","1.141","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549761","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.25 H44.5 Cl0.5 N2 O9 -","- C48.25 H44.5 Cl0.5 N2 O9 -","- C386 H356 Cl4 N16 O72 -","8","4","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","228838","2020-10-21","18:00:00",""
"1549762","11.8363","0.0004","12.6884","0.0004","14.8869","0.0005","108.968","0.003","104.837","0.003","104.872","0.003","1897.35","0.14","180.05","0.1","180.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O6 -","- C48 H42 N2 O6 -","- C96 H84 N4 O12 -","2","1","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.045","0.0352","","","0.0888","0.0954","","","","","","1.023","","","","has coordinates","228838","2020-10-21","18:00:00",""
"1549765","8.6842","0.001","18.1757","0.0018","8.5209","0.0008","90","","100.878","0.007","90","","1320.8","0.2","296","2","296","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Dibromo-bis(pyridine)-cobalt(II)","","- C10 H10 Br2 Co N2 -","- C10 H10 Br2 Co N2 -","- C40 H40 Br8 Co4 N8 -","4","1","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1847","0.1064","","","0.0813","0.0925","","","","","","1.25","","","","has coordinates","228836","2020-10-21","18:00:00",""
"1549766","9.1275","0.0007","12.1835","0.0008","14.8264","0.001","90","","95.764","0.007","90","","1640.4","0.2","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Dibromo-bis(4-vinylpyridine)-cobalt(II)","","- C14 H14 Br2 Co N2 -","- C14 H14 Br2 Co N2 -","- C56 H56 Br8 Co4 N8 -","4","0.5","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1037","0.0515","","","0.0649","0.075","","","","","","1.107","","","","has coordinates,has disorder","228836","2020-10-21","18:00:00",""
"1549767","12.8319","0.0007","18.8787","0.0012","9.3269","0.0005","90","","90","","90","","2259.4","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 P Si2 Tb -","- C20 H32 P Si2 Tb -","- C80 H128 P4 Si8 Tb4 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0638","0.0301","","","0.0465","0.0587","","","","","","1.082","","","","has coordinates","276399","2022-06-29","09:43:57",""
"1549768","15.1266","0.0006","10.815","0.0004","14.256","0.0008","90","","95.164","0.004","90","","2322.73","0.18","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Er P Si2 -","- C20 H32 Er P Si2 -","- C80 H128 Er4 P4 Si8 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0626","0.0356","","","0.0573","0.0691","","","","","","1.091","","","","has coordinates,has disorder","276399","2022-06-29","09:44:12",""
"1549769","12.8248","0.0007","18.9114","0.0012","9.3047","0.0004","90","","90","","90","","2256.7","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Dy P Si2 -","- C20 H32 Dy P Si2 -","- C80 H128 Dy4 P4 Si8 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0709","0.0324","","","0.048","0.0612","","","","","","1.076","","","","has coordinates","276399","2022-06-29","09:44:16",""
"1549770","15.0719","0.0008","10.8053","0.0006","14.3183","0.0009","90","","95.125","0.005","90","","2322.5","0.2","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Tm -","- C20 H32 P Si2 Tm -","- C80 H128 P4 Si8 Tm4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0775","0.04","","","0.0594","0.0723","","","","","","1.045","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549771","15.2388","0.0007","10.8568","0.0005","14.217","0.0008","90","","95.18","0.004","90","","2342.5","0.2","179.9","0.3","179.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Y -","- C20 H32 P Si2 Y -","- C80 H128 P4 Si8 Y4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","x-ray","0.71","MoKα","","0.0625","0.0395","","","0.068","0.073","","","","","","1.018","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549775","18.7793","0.0002","7.4521","0.0001","50.3987","0.0006","90","","90","","90","","7053.06","0.15","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","compound 8","","- C25 H15 N S2 -","- C25 H15 N S2 -","- C400 H240 N16 S32 -","16","2","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0419","0.041","","","0.0917","0.0921","","","","","","1.278","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549776","10.6434","0.0015","9.1028","0.0013","20.109","0.003","90","","102.565","0.015","90","","1901.6","0.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","compound 3ad","","- C29 H19 N -","- C29 H19 N -","- C116 H76 N4 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.1869","0.1013","","","0.248","0.328","","","","","","1.01","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549777","16.1846","0.0006","27.2713","0.0009","7.6092","0.0003","90","","97.89","0.003","90","","3326.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 9","","- C41 H27 N O S4 -","- C41 H27 N O S4 -","- C164 H108 N4 O4 S16 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0871","0.0653","","","0.2172","0.2336","","","","","","1.086","","","","has coordinates,has disorder","228858","2020-10-21","18:00:00",""
"1549782","9.5765","0.0011","10.1909","0.0012","10.8774","0.0016","115.915","0.013","106.476","0.011","90.377","0.01","905.1","0.2","294.29","0.18","294.29","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 B N2 -","- C23 H19 B N2 -","- C46 H38 B2 N4 -","2","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.1046","0.0612","","","0.1567","0.1903","","","","","","1.0571","","","","has coordinates","228701","2020-10-21","18:00:00",""
"1549783","9.1839","0.0014","11.282","0.0014","14.148","0.003","90","","101.51","0.017","90","","1436.4","0.4","296.2","0.2","296.2","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 B F N2 -","- C17 H14 B F N2 -","- C68 H56 B4 F4 N8 -","4","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.0916","0.0502","","","0.0997","0.1224","","","","","","1.0223","","","","has coordinates","228701","2020-10-21","18:00:00",""
"1549784","13.89","0.002","14.796","0.002","16.218","0.002","96.6694","0.0014","96.2744","0.0014","112.822","0.0016","3007.7","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H22 Cl7 F20 N5 S3 -","- C59.5 H22 Cl7 F20 N5 S3 -","- C119 H44 Cl14 F40 N10 S6 -","2","1","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.0819","0.0621","","","0.1754","0.1921","","","","","","1.096","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549785","13.765","0.003","17.271","0.003","24.19","0.005","94.738","0.003","102.606","0.004","93.061","0.005","5577.9","1.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H20.5 Cl1.5 F20 N5 S3 -","- C65 H18 Cl1.5 F20 N5 S3 -","- C260 H72 Cl6 F80 N20 S12 -","4","2","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.1727","0.1121","","","0.3026","0.3578","","","","","","1.071","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549786","10.3182","0.0003","12.47104","0.00019","12.8143","0.0003","82.2874","0.0017","68.197","0.003","79.3609","0.0017","1500.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N5 O5 U -","- C32 H33 N5 O5 U -","- C64 H66 N10 O10 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0257","0.0256","","","0.0673","0.0674","","","","","","1.148","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549787","46.746","0.005","13.2744","0.0003","24.296","0.003","90","","145.84","0.03","90","","8465","7","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 Fe N10 O10 U2 -","- C64 H64 Fe N10 O10 U2 -","- C256 H256 Fe4 N40 O40 U8 -","4","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0192","0.0182","","","0.048","0.0484","","","","","","1.069","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549788","14.3842","0.0006","14.1543","0.0008","16.8027","0.0007","90","","93.045","0.004","90","","3416.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 I2 N11 O6 U2 -","- C69 H69 I2 N11 O6 U2 -","- C138 H138 I4 N22 O12 U4 -","2","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.09","0.0977","","","","","","1.079","","","","has coordinates,has disorder","228860","2020-10-21","18:00:00",""
"1549789","12.542","0.006","13.779","0.01","23.86","0.03","81.55","0.06","78.59","0.05","86.58","0.04","3996","6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H99 K2 N8 O17 U -","- C63 H99 K2 N8 O17 U -","- C126 H198 K4 N16 O34 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.1506","0.1088","","","0.2739","0.3156","","","","","","1.111","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549790","13.7743","0.0003","21.1783","0.0004","24.452","0.0005","99.7615","0.0017","95.7326","0.0016","98.8026","0.0016","6888.7","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C99 H99 Fe3 I2 N17 O10 U2 -","- C99 H99 Fe3 I2 N17 O10 U2 -","- C198 H198 Fe6 I4 N34 O20 U4 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0609","0.0558","","","0.1438","0.148","","","","","","1.036","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549791","19.5691","0.0007","13.9341","0.0003","19.6431","0.0006","90","","118.26","0.004","90","","4717.8","0.3","139.99","0.13","139.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Fe N8 O5 U -","- C50 H54 Fe N8 O5 U -","- C200 H216 Fe4 N32 O20 U4 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0355","0.0326","","","0.0858","0.0893","","","","","","1.032","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549792","15.964","0.002","23.884","0.003","20.0642","0.0009","90","","105.849","0.006","90","","7359.3","1.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 Fe I N11 O8 U2 -","- C69 H69 Fe I N11 O8 U2 -","- C276 H276 Fe4 I4 N44 O32 U8 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.0895","0.0584","","","0.1091","0.1217","","","","","","1.13","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549796","14.1097","0.0013","14.319","0.0013","14.2262","0.0013","90","","111.886","0.0014","90","","2667.1","0.4","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Mn2 N4 -","- C58 H84 Mn2 N4 -","- C116 H168 Mn4 N8 -","2","0.5","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.0648","0.0536","","","0.1381","0.1452","","","","","","1.066","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549797","12.443","0.006","13.455","0.006","22.132","0.01","90","","102.382","0.005","90","","3619","3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58 Mn N2 -","- C41 H58 Mn N2 -","- C164 H232 Mn4 N8 -","4","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.1106","0.0678","","","0.1721","0.2102","","","","","","1.032","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549798","42.348","0.014","11.696","0.004","18.645","0.006","90","","92.882","0.004","90","","9223","5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 F6 Fe N5 O6 S2 -","- C40 H33 F6 Fe N5 O6 S2 -","- C320 H264 F48 Fe8 N40 O48 S16 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","","0.7107","MoKα","","0.1524","0.1356","","","0.2786","0.2892","","","","","","1.189","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549799","18.9606","0.0003","18.7387","0.0003","34.1557","0.0006","90","","90","","90","","12135.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Cl6 Fe3 N11 -","- C64 H53 Cl6 Fe3 N11 -","- C512 H424 Cl48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0394","0.0328","","","0.0726","0.0758","","","","","","1.069","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549800","9.9553","0.0003","13.1814","0.0004","16.2767","0.0006","92.662","0.003","96.422","0.003","105.743","0.003","2036.29","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Fe(N2QuPy)(Br)](ClO4)","","- C33 H27 Br Cl7 Fe N5 O4 -","- C33 H27 Br Cl7 Fe N5 O4 -","- C66 H54 Br2 Cl14 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.113","0.0906","","","0.2574","0.2838","","","","","","1.06","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549801","9.68503","0.00017","9.74597","0.00018","20.3011","0.0003","92.2266","0.0014","101.563","0.0015","98.3455","0.0015","1852.88","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl8 Fe N5 O4 -","- C33 H27 Cl8 Fe N5 O4 -","- C66 H54 Cl16 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0504","0.0452","","","0.1213","0.1307","","","","","","1.034","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549802","19.0269","0.0004","18.8487","0.0004","35.2474","0.0006","90","","90","","90","","12640.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Br6 Fe3 N11 -","- C64 H53 Br6 Fe3 N11 -","- C512 H424 Br48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0703","0.076","","","","","","1.022","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549805","17.1715","0.0013","17.8894","0.0014","9.4518","0.0007","90","","101.309","0.003","90","","2847.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 F2 Sn -","- C32 H40 F2 Sn -","- C128 H160 F8 Sn4 -","4","1","","Ming, Jialin; Shi, Qi; Hayashi, Tamio","Addition of arylstannanes to alkynes giving <i>ortho</i>-alkenylarylstannanes catalysed cooperatively by a rhodium complex and zinc chloride.","Chemical science","2018","9","39","7700","7704","10.1039/c8sc02459f","","","0.71073","MoKα","","0.1468","0.0663","","","0.1362","0.1726","","","","","","1.014","","","","has coordinates","228702","2020-10-21","18:00:00",""
"1549806","14.0463","0.0002","17.6303","0.0003","16.8395","0.0003","90","","100.648","0.001","90","","4098.34","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C180 H136 B4 F60 Fe4 O4 -","2","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.1167","0.0814","","","0.1538","0.175","","","","","","1.133","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549807","13.8373","0.0003","14.8923","0.0003","15.4147","0.0003","63.462","0.001","80.689","0.001","88.721","0.002","2799.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0592","0.0483","","","0.1168","0.1238","","","","","","1.032","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549808","13.3556","0.0006","14.9486","0.0007","17.5414","0.0008","95.477","0.003","111.222","0.003","102.632","0.003","3126.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H25 B2 Cl4 F30 O2 -","- C69 H25 B2 Cl4 F30 O2 -","- C138 H50 B4 Cl8 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0935","0.0565","","","0.1381","0.1609","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549809","12.3256","0.0007","16.7558","0.0009","17.1303","0.0009","90.82","0.003","97.535","0.003","103.218","0.003","3410.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H29 B2 Cl6 F30 O2 -","- C72 H29 B2 Cl6 F30 O2 -","- C144 H58 B4 Cl12 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0496","0.0372","","","0.0885","0.0943","","","","","","1.052","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549810","12.6071","0.0003","13.6253","0.0004","20.3659","0.0006","90","","100.362","0.002","90","","3441.31","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H40 B2 Cl2 F30 Fe O2 -","- C71 H40 B2 Cl2 F30 Fe O2 -","- C142 H80 B4 Cl4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0681","0.0492","","","0.0911","0.0969","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549811","11.863","0.004","13.004","0.005","13.207","0.005","106.631","0.01","116.366","0.011","92.518","0.012","1714","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0519","0.0385","","","0.0886","0.0957","","","","","","1.029","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549812","13.3457","0.0003","14.575","0.0003","17.8933","0.0004","91.771","0.001","97.044","0.001","102.641","0.001","3364.49","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 B2 F30 Fe O2 -","- C68 H36 B2 F30 Fe O2 -","- C136 H72 B4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0657","0.0509","","","0.1064","0.1135","","","","","","1.022","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549813","26.8002","0.0008","12.9058","0.0004","27.8292","0.0008","90","","116.473","0.002","90","","8616.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C360 H272 B8 F120 Fe8 O8 -","4","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.1055","0.0599","","","0.1381","0.1646","","","","","","1.018","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549814","11.8064","0.0003","14.9813","0.0004","15.3306","0.0004","91.992","0.002","103.172","0.002","108.496","0.001","2487","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.095","0.0587","","","0.0948","0.1061","","","","","","1.077","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549815","13.791","0.0012","14.0959","0.0013","18.1102","0.0014","109.569","0.002","109.658","0.002","90.652","0.003","3093.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H19 B2 F30 O2 -","- C61 H19 B2 F30 O2 -","- C122 H38 B4 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.13","0.0601","","","0.1108","0.1307","","","","","","1.007","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549816","9.5809","0.0003","10.9166","0.0004","14.2783","0.0004","74.722","0.002","79.532","0.002","85.172","0.002","1415.59","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0664","0.0531","","","0.1174","0.1279","","","","","","1.053","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549817","3.7576","0.0005","14.428","0.0016","9.4611","0.0011","90","","100.599","0.012","90","","504.18","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C20 H16 N8 O2 -","2","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","","0.71073","MoKα","","0.1007","0.0715","","","0.2194","0.252","","","","","","1.078","","","","has coordinates","228771","2020-10-21","18:00:00",""
"1549818","5.772","0.0004","9.9613","0.0006","10.8529","0.0008","87.644","0.005","77.477","0.006","89.901","0.005","608.63","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 N4 -","- C34 H22 N4 -","- C34 H22 N4 -","1","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","x-ray","1.54184","CuKα","","0.0411","0.0366","","","0.1045","0.1112","","","","","","1.002","","","","has coordinates","228771","2020-10-21","18:00:00",""
"1549820","4.2503","0.0002","10.1169","0.0004","11.3784","0.0005","81.03","0.003","88.843","0.003","82.58","0.004","479.24","0.04","296","1","296","1","","","0","0.001","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0477","0.0493","","","","","","1.036","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549821","4.0958","0.0004","9.372","0.002","10.9859","0.0013","85.224","0.016","88.977","0.009","84.909","0.016","418.56","0.11","296","1","296","1","","","2320000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0587","0.0458","","","0.1096","0.1213","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549822","3.9623","0.0005","8.824","0.003","10.6104","0.0015","87.89","0.02","88.524","0.012","87.3","0.03","370.2","0.14","296","1","296","1","","","7160000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0817","0.0703","","","0.1792","0.1855","","","","","","1.172","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549823","4.0071","0.0003","9.009","0.002","10.7254","0.0009","87.042","0.013","88.693","0.007","86.485","0.014","385.87","0.1","296","1","296","1","","","5150000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0556","0.0463","","","0.117","0.1219","","","","","","1.086","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549824","4.1474","0.0003","9.5705","0.0019","11.1208","0.0009","84.163","0.012","88.992","0.007","84.152","0.014","436.83","0.1","296","1","296","1","","","1360000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.053","0.0404","","","0.0952","0.1022","","","","","","1.063","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549825","4.0175","0.0002","9.064","0.002","10.7655","0.0008","86.743","0.012","88.765","0.006","86.231","0.012","390.48","0.09","296","1","296","1","","","4650000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0639","0.0549","","","0.1292","0.1337","","","","","","1.144","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549826","4.0406","0.0003","9.151","0.002","10.8365","0.0011","86.375","0.015","88.849","0.007","85.829","0.014","398.78","0.1","296","1","296","1","","","3820000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0667","0.0544","","","0.1111","0.1207","","","","","","1.08","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549827","3.9759","0.0007","8.862","0.003","10.6257","0.0017","87.71","0.02","88.616","0.015","87.1","0.03","373.52","0.15","296","1","296","1","","","6670000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0723","0.0603","","","0.131","0.1395","","","","","","1.162","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549828","4.1864","0.0003","9.741","0.002","11.2181","0.0011","83.217","0.013","88.956","0.007","83.522","0.013","451.36","0.11","296","1","296","1","","","720000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0804","0.0633","","","0.1363","0.1443","","","","","","1.132","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549829","3.989","0.0004","8.933","0.003","10.667","0.001","87.474","0.016","88.623","0.008","86.839","0.017","379.07","0.14","296","1","296","1","","","6000000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0673","0.0566","","","0.1435","0.1487","","","","","","1.197","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549830","4.068","0.0003","9.26","0.0018","10.911","0.001","85.828","0.012","88.899","0.007","85.395","0.013","408.56","0.09","296","1","296","1","","","3080000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0541","0.0425","","","0.1106","0.1194","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549831","3.997","0.0002","8.9646","0.0017","10.6952","0.0008","87.267","0.012","88.673","0.006","86.652","0.011","382.06","0.08","296","1","296","1","","","5630000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0571","0.0485","","","0.1064","0.1103","","","","","","1.087","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549832","4.0313","0.0003","9.11","0.002","10.8051","0.0011","86.619","0.015","88.825","0.007","86.015","0.014","395.12","0.1","296","1","296","1","","","4180000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0749","0.0592","","","0.1422","0.1507","","","","","","1.159","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549833","12.2994","0.0011","22.698","0.002","23.587","0.002","90","","99.188","0.0019","90","","6500.3","1","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","neisc35","","","- C71 H102 Fe4 O6 -","- C71 H102 Fe4 O6 -","- C284 H408 Fe16 O24 -","4","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0824","0.0492","","","0.0987","0.1115","","","","","","1.025","","","","has coordinates","210119","2020-10-21","18:00:00",""
"1549834","12.3417","0.0009","15.4069","0.0011","21.5668","0.0015","100.062","0.0015","99.279","0.0016","94.4973","0.0016","3960.9","0.5","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neisc29","","","- C76 H114 Br2 F4 Fe2 Mg2 O14.5 -","- C76 H114 Br2 F4 Fe2 Mg2 O14.5 -","- C152 H228 Br4 F8 Fe4 Mg4 O29 -","2","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.1056","0.0554","","","0.1323","0.1514","","","","","","1.058","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549835","12.4649","0.0012","12.9212","0.0012","15.2879","0.0015","69.5966","0.0019","81.444","0.002","88.91","0.002","2280.7","0.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neisc21","","","- C94 H140 Fe2 Mg2 O16 -","- C94 H140 Fe2 Mg2 O16 -","- C94 H140 Fe2 Mg2 O16 -","1","0.5","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.1217","0.0553","","","0.105","0.1301","","","","","","0.985","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549836","15.2106","0.0008","11.1429","0.0006","12.9636","0.0007","90","","114.031","0.001","90","","2006.76","0.19","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","neisc31","","","- C18 H30 Fe0.58 Mg0.42 O6 -","- C18 H30 Fe0.5763 Mg0.4237 O6 -","- C72 H120 Fe2.3052 Mg1.6948 O24 -","4","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0667","0.0405","","","0.0981","0.1096","","","","","","1.015","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549837","20.134","0.008","24.672","0.009","43.274","0.018","90","","90","","90","","21496","15","100","0.5","100","0.5","","","","","","","","4","F d d d","-F 2uv 2vw","70","neisc36","","","- C60 H78 Fe4 O6 -","- C60 H78 Fe4 O6 -","- C960 H1248 Fe64 O96 -","16","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.3772","0.2483","","","0.4569","0.4911","","","","","","1.949","","","","has coordinates","210119","2020-10-21","18:00:00",""
"1549838","16.159","0.003","17.191","0.003","18.694","0.003","90","","98.545","0.003","90","","5135.3","1.5","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","neisc32","","","- C58 H74 Fe4 O4 -","- C58 H74 Fe4 O4 -","- C232 H296 Fe16 O16 -","4","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.1176","0.0525","","","0.0951","0.115","","","","","","1.006","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549839","15.5897","0.0004","15.5897","0.0004","45.3118","0.0012","90","","90","","90","","11012.5","0.5","100","0.1","100","0.1","","","","","","","","5","I 41/a m d","-I 4bd 2","141","neisc52","","","- C52 H56 F6 Fe4 O4 -","- C52 H55.498 F6 Fe4 O4 -","- C416 H443.984 F48 Fe32 O32 -","8","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","x-ray","0.71073","MoKα","","0.0755","0.0626","","","0.1906","0.2041","","","","","","1.049","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549840","12.7545","0.0019","12.82","0.0019","14.971","0.002","96.604","0.003","108.178","0.003","113.494","0.003","2050.9","0.5","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","neism38","","","- C86 H118 F6 Fe2 Mg2 O14 -","- C86 H118 F6 Fe2 Mg2 O14 -","- C86 H118 F6 Fe2 Mg2 O14 -","1","0.5","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0831","0.0476","","","0.1177","0.1326","","","","","","1.063","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549841","20.048","0.002","20.048","0.002","19.32","0.002","90","","90","","90","","7765.1","1.4","100","0.5","100","0.5","","","","","","","","6","P 42/n","-P 4bc","86","neisc24","","","- C80 H112 Fe2 Mg N6 O9.5 -","- C80 H112 Fe2 Mg N6 O9.5 -","- C320 H448 Fe8 Mg4 N24 O38 -","4","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0908","0.0534","","","0.1299","0.1561","","","","","","1.033","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549842","8.8042","0.0017","13.872","0.003","15.012","0.003","113.273","0.004","91.702","0.004","108.265","0.004","1574.4","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0908","0.068","","","0.1582","0.1702","","","","","","1.04","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549843","8.933","0.01","14.009","0.016","15.07","0.016","113.024","0.014","91.175","0.016","108.218","0.015","1627","3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1236","0.1365","","","","","","1.023","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549844","8.7198","0.0004","13.8688","0.0007","15.15","0.0008","112.076","0.001","90.143","0.001","106.456","0.001","1615.99","0.14","450","2","450","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0577","0.0495","","","0.141","0.1499","","","","","","1.049","","","","has coordinates,has disorder","228665","2020-10-21","18:00:00",""
"1549845","8.6715","0.0005","13.689","0.0008","15.1994","0.0008","112.725","0.002","90.764","0.002","106.662","0.002","1578.49","0.16","300","2","300","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.046","0.0379","","","0.0917","0.0956","","","","","","1.046","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549846","8.8606","0.0007","13.9125","0.001","14.9455","0.0011","65.422","0.002","87.897","0.002","71.56","0.002","1579.8","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0523","0.0457","","","0.1108","0.115","","","","","","1.001","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549847","8.6306","0.0004","13.5529","0.0007","15.2106","0.0008","113.16","0.001","91.252","0.001","106.863","0.001","1546.66","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0799","0.0721","","","0.1842","0.2117","","","","","","1.089","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549848","8.3737","0.0003","10.0127","0.0004","24.658","0.0008","90","","90","","90","","2067.41","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 -","- C23 H22 Br N O4 -","- C92 H88 Br4 N4 O16 -","4","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0989","0.1055","","","","","","1.044","","","","has coordinates","228696","2020-10-21","18:00:00",""
"1549849","6.25857","0.00015","10.36","0.0006","11.9013","0.0006","64.561","0.005","87.812","0.003","84.16","0.003","693.22","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","1","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0522","0.0466","","","0.1286","0.1324","","","","","","1.046","","","","has coordinates,has disorder","228696","2020-10-21","18:00:00",""
"1549850","24.8328","0.0003","24.8328","0.0003","24.8328","0.0003","90","","90","","90","","15313.6","0.3","280","2","280","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Dy-NDC","","","- C144 Dy12 O64 -","- C144 Dy12 O64 -","- C288 Dy24 O128 -","2","0.0104167","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.1623","0.1562","","","0.5328","0.545","","","","","","2.986","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549851","29.9107","0.0006","29.9107","0.0006","29.9107","0.0006","90","","90","","90","","26759.6","0.9","240","2","240","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Dy-ABDC","","","- C42 H24 Dy3 N6 O16 -","- C42 H24 Dy3 N6 O16 -","- C336 H192 Dy24 N48 O128 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0581","0.0529","","","0.1535","0.1606","","","","","","1.203","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549852","27.5659","0.0002","27.5659","0.0002","27.5659","0.0002","90","","90","","90","","20946.7","0.3","240","2","240","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Dy-BPDC","","","- C42 H24 Dy3 O20 -","- C42 H24 Dy3 O20 -","- C336 H192 Dy24 O160 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1854","0.1926","","","","","","1.357","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549853","10.499","0.003","20.581","0.006","8.367","0.002","90","","108.054","0.003","90","","1718.9","0.8","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C76 H60 Br4 N8 O12 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71","MoKα","","0.0796","0.0398","","","0.0688","0.0814","","","","","","1.026","","","","has coordinates","228667","2020-10-21","18:00:00",""
"1549854","18.29","0.002","10.7507","0.0014","9.233","0.0012","90","","98.659","0.002","90","","1794.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71073","MoKα","","0.1075","0.0696","","","0.2152","0.2452","","","","","","1.059","","","","has coordinates,has disorder","228667","2020-10-21","18:00:00",""
"1549859","10.2072","0.0005","22.8173","0.0011","7.0823","0.0003","90","","90.009","0.001","90","","1649.47","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0691","0.0591","","","0.1678","0.1728","","","","","","1.264","","","","has coordinates","228658","2020-10-21","18:00:00",""
"1549860","7.2306","0.0004","7.3257","0.0004","8.8664","0.0005","106.573","0.003","100.859","0.003","94.501","0.003","437.69","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 N O5 -","- C9 H7 N O5 -","- C18 H14 N2 O10 -","2","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0302","0.0283","","","0.0767","0.0786","","","","","","1.055","","","","has coordinates","228658","2020-10-21","18:00:00",""
"1549861","5.0866","0.0004","7.5068","0.0005","9.0684","0.0006","76.038","0.002","85.125","0.002","72.229","0.001","319.98","0.04","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","1","0.5","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0172","0.0172","","","0.0442","0.0442","","","","","","1.16","","","","has coordinates,has disorder","228658","2020-10-21","18:00:00",""
"1549862","30.0973","0.001","30.8663","0.001","31.9583","0.001","91.509","0.01","102.049","0.01","94.109","0.01","28934","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","1","0.5","","Le Poul, Nicolas; Colasson, Benoit; Thiabaud, Grégory; Dit Fouque, Dany Jeanne; Iacobucci, Claudio; Memboeuf, Antony; Douziech, Bénédicte; Řezáč, Jan; Prangé, Thierry; de la Lande, Aurélien; Reinaud, Olivia; Le Mest, Yves","Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic.","Chemical science","2018","9","43","8282","8290","10.1039/c8sc03124j","","","0.954","","","0.1211","0.1153","","","0.3647","0.3688","","","","","","1.524","","","","has coordinates,has disorder","228687","2020-10-21","18:00:00",""
"1549863","9.928","0.002","11.964","0.003","13.33","0.004","91.365","0.008","90.705","0.008","93.476","0.006","1579.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 Br2 -","- C42 H28 Br2 -","- C84 H56 Br4 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1287","0.0647","","","0.1562","0.1819","","","","","","1.042","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549864","9.859","0.004","13.666","0.004","14.502","0.006","91.78","0.03","96.21","0.03","110.33","0.03","1816.5","1.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H38 -","- C60 H38 -","- C120 H76 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","1.54184","CuKα","","0.2932","0.09","","","0.1676","0.2722","","","","","","0.926","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549865","9.2129","0.0016","21.272","0.004","36.423","0.006","90","","91.73","0.011","90","","7135","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.33333 H18.66667 Cl0.66667 S2 -","- C34 H18 S2 -","- C408 H216 S24 -","12","3","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1662","0.0724","","","0.1467","0.1829","","","","","","0.963","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549877","16.521","0.0005","16.521","0.0005","49.1998","0.0017","90","","90","","120","","11629.6","0.6","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H37 Cl4 N6 O1.5 -","- C44.0001 H37.0002 Cl4 N6 O1.5 -","- C528.001 H444.002 Cl48 N72 O18 -","12","0.333333","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.0544","0.0486","","","0.1341","0.1371","","","","","","1.057","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549878","5.7565","0.0005","25.735","0.002","26.34","0.002","90","","91.02","0.002","90","","3901.5","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H32 Cl6 N6 -","- C44 H32 Cl6 N6 -","- C176 H128 Cl24 N24 -","4","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.1361","0.0911","","","0.2388","0.2893","","","","","","1.06","","","","has coordinates","228703","2020-10-21","18:00:00",""
"1549879","9.9758","0.0003","14.1235","0.0003","21.6617","0.0004","98.632","0.002","94.107","0.002","107.17","0.002","2861.15","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H60 N6 O12 S3 -","- C63 H59.78 N6 O12 S3 -","- C126 H119.56 N12 O24 S6 -","2","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","1.54184","CuKα","","0.0664","0.0488","","","0.1241","0.1332","","","","","","1.047","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549882","11.2477","0.0004","15.3784","0.0005","9.6298","0.0003","90","","114.204","0.001","90","","1519.25","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Matsuura, Rei; Jankins, Tanner C.; Hill, David E.; Yang, Kin S.; Gallego, Gary M.; Yang, Shouliang; He, Mingying; Wang, Fen; Marsters, Rohan P.; McAlpine, Indrawan; Engle, Keary M.","Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids.","Chemical science","2018","9","44","8363","8368","10.1039/c8sc03081b","","x-ray","1.54178","CuKα","","0.0368","0.035","","","0.0906","0.0925","","","","","","1.036","","","","has coordinates","228656","2020-10-21","18:00:00",""
"1549883","6.5197","0.0006","35.222","0.003","7.231","0.0007","90","","102.838","0.01","90","","1619","0.3","119.99","0.14","119.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","decaaquodisodium 4-[2-(3-pyridyl)diazenyl]-benzoate","","- C12 H18 N3 Na O7 -","- C12 H18 N3 Na O7 -","- C48 H72 N12 Na4 O28 -","4","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","x-ray","0.71073","MoKα","","0.1114","0.0911","","","0.1631","0.1714","","","","","","1.259","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549884","35.5103","0.0007","9.6091","0.0002","37.3391","0.0008","90","","103.589","0.002","90","","12384.3","0.5","100","1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,7,12-Tris-(2-(4-pyridylazo)ethoxy)-3,8,13-trimethoxy-10,15-dihydro-2H-tribenzo[a,d,g]cyclononene nitromethane clathrate","","- C65 H63 N11 O13 -","- C65 H63 N11 O13 -","- C520 H504 N88 O104 -","8","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.1127","0.0959","","","0.2991","0.3231","","","","","","1.36","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549885","6.1765","0.0004","7.0883","0.0004","17.5927","0.0006","88.175","0.004","83.629","0.005","69.716","0.006","717.98","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","octaaquodibis(4-[2-(4-pyridyl)diazenyl]-benzoate)sodium(I)","","- C12 H16 N3 Na O6 -","- C12 H16 N3 Na O6 -","- C24 H32 N6 Na2 O12 -","2","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.042","0.0342","","","0.0911","0.0973","","","","","","1.056","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549886","9.6864","0.0005","29.786","0.002","34.468","0.004","71.898","0.008","88.532","0.006","89.954","0.005","9449.1","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7,12-trimethoxy-3,8,13-tris(4,3?-pyridyl-azophenylcarboxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene","","- C60 H30 N9 O9 -","- C60 H42 N9 O9 -","- C240 H168 N36 O36 -","4","2","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","0.6889","synchrotron","","0.3324","0.2253","","","0.4559","0.4885","","","","","","1.711","","","","has coordinates,has disorder","228698","2020-10-21","18:00:00",""
"1549887","13.2806","0.0016","27.575","0.003","20.326","0.002","90","","99.632","0.005","90","","7338.7","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H58 B Br Co F24 P4 -","- C75 H58 B Br Co F24 P4 -","- C300 H232 B4 Br4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1111","0.0581","","0.1324","0.1047","0.1313","","","","","","1.0304","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549888","13.0252","0.0015","17.6478","0.0019","18.721","0.002","103.179","0.004","108.177","0.003","99.43","0.003","3850.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H67 B Co F24 P4 -","- C84 H67 B Co F24 P4 -","- C168 H134 B2 Co2 F48 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.073","0.0491","","0.1304","0.1132","0.1304","","","","","","0.9753","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549889","15.234","0.003","17.698","0.003","18.812","0.003","107.508","0.007","101.067","0.008","114.08","0.005","4117.5","1.3","100","2","99.94","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H60 B Co F24.5 P4 S -","- C79 H60 B Co F24.4997 P4 S -","- C158 H120 B2 Co2 F48.9994 P8 S2 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.177","0.0763","","","0.1773","0.237","","","","","","1.015","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549890","14.313","0.001","28.967","0.002","18.3198","0.0012","90","","104.992","0.005","90","","7336.9","0.9","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H54 B Co F24 O P3 -","- C79 H54 B Co F24 O P3 -","- C316 H216 B4 Co4 F96 O4 P12 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.54178","CuKα","","0.1972","0.0789","","","0.1765","0.2557","","","","","","0.943","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549891","15.392","0.004","16.404","0.004","17.511","0.004","72.538","0.008","72.836","0.008","86.072","0.009","4028.8","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H70 B Co F24 P3 -","- C86 H70 B Co F24 P3 -","- C172 H140 B2 Co2 F48 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1116","0.0567","","0.1703","0.124","0.169","","","","","","0.9484","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549892","12.6883","0.0009","18.4229","0.0013","18.5758","0.0012","115.784","0.0019","99.469","0.002","97.331","0.002","3758.4","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H65 B Co F24 N P3 -","- C80.5 H65 B Co F24 N P3 -","- C161 H130 B2 Co2 F48 N2 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1218","0.061","","0.1299","0.1113","0.1298","","","","","","0.9321","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549893","18.5988","0.0009","21.2082","0.0017","18.9102","0.0012","90","","90.121","0.002","90","","7459.1","0.8","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.75 H61.5 B Co F24.12 N P4 -","- C77.75 H61.5 B Co F24.123 N P4 -","- C311 H246 B4 Co4 F96.492 N4 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1797","0.0972","","","0.2245","0.2786","","","","","","1.044","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549894","13.183","0.003","16.54","0.003","16.808","0.003","82.81","0.006","83.316","0.007","84.81","0.007","3600.7","1.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H58 B Co F24 O P4 -","- C75 H58 B Co F24 O P4 -","- C150 H116 B2 Co2 F48 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1164","0.0786","","0.2229","0.1848","0.2222","","","","","","0.9973","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549895","11.8224","0.0006","19.1322","0.0011","33.4483","0.0015","90","","97.5642","0.0019","90","","7499.8","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H59 B Co F24 P4 -","- C75 H59 B Co F24 P4 -","- C300 H236 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0575","0.0525","","0.1371","0.1347","0.1371","","","","","","0.9405","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549896","14.706","0.0006","15.1357","0.0005","19.031","0.0007","71.3492","0.0013","83.8715","0.0014","80.5636","0.0015","3952.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H64 B Co F25 O P4 -","- C81 H64 B Co F25 O P4 -","- C162 H128 B2 Co2 F50 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0621","0.0508","","0.1426","0.1296","0.1426","","","","","","1.0241","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549897","16.2021","0.0005","25.658","0.0009","18.5436","0.0006","90","","90.185","0.002","90","","7708.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H64 B Co F24 P4 -","- C83 H64 B Co F24 P4 -","- C332 H256 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.5418","CuKα","","0.2019","0.1126","","0.3487","0.2676","0.3482","","","","","","0.9381","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549906","7.652","0.009","14.111","0.019","15.379","0.019","90","","90","","90","","1661","4","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6aF-Me2","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0496","","","","0.1245","","","","","","0.966","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549907","15.147","0.005","15.449","0.005","16.488","0.005","82.861","0.012","80.898","0.01","78.48","0.008","3716","2","150","","150","","","","","","","","","3","P -1","-P 1","2","","11D-Me2","","- C26 H20 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","4","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0731","","","","0.1916","","","","","","1.113","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549908","13.252","0.006","5.704","0.002","42.601","0.019","90","","90","","90","","3220","2","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","","7aF-Me2","","- C22 H18 N2 -","- C22 H13 N2 -","- C176 H104 N16 -","8","2","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0697","","","","0.2052","","","","","","1.026","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549909","18.8567","0.0003","20.0714","0.0004","19.2011","0.0004","90","","102.741","0.002","90","","7088.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50.5 Ce0.5 N3 O1.5 -","- C33 H50.5 Ce0.5 N3 O1.5 -","- C264 H404 Ce4 N24 O12 -","8","2","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.1309","0.0975","","","0.2069","0.2261","","","","","","1.041","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549910","14.083","0.0003","17.4883","0.0002","15.0209","0.0002","90","","99.155","0.002","90","","3652.34","0.1","120","","120","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C124 H200 Br8 Ce4 Li4 N12 O8 -","2","0.5","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0481","0.0345","","","0.0806","0.0876","","","","","","1.074","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549911","16.491","0.0003","25.6698","0.0004","18.9736","0.0004","90","","100.574","0.002","90","","7895.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H105 Ce N8 O3 S2 -","- C70 H105 Ce N8 O3 S2 -","- C280 H420 Ce4 N32 O12 S8 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0766","0.0538","","","0.1297","0.1444","","","","","","1.005","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549912","17.1931","0.0006","18.0941","0.0005","18.142","0.0005","60.078","0.003","63.808","0.003","83.013","0.003","4353.9","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C77 H93 Ce N6 O9 -","- C72 H107 Ce N6 O9 -","- C144 H214 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0687","0.0574","","","0.1397","0.147","","","","","","1.043","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549913","15.9574","0.0007","17.7857","0.0004","17.8098","0.0005","62.686","0.002","69.389","0.003","77.518","0.003","4194.6","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H99 Ce N6 O9 -","- C73 H102 Ce N6 O9 -","- C146 H204 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","1.54184","CuKα","","0.1098","0.0966","","","0.2589","0.2718","","","","","","0.95","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549914","12.6458","0.0002","24.6116","0.0004","24.4523","0.0004","90","","93.8","0.001","90","","7593.6","0.2","120.01","0.13","120.01","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H105 Ce N6 O3 -","- C84 H105 Ce N6 O3 -","- C336 H420 Ce4 N24 O12 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0742","0.0459","","","0.1236","0.1419","","","","","","0.916","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549915","33.2202","0.0013","13.2404","0.0005","15.202","0.0005","90","","113.392","0.001","90","","6137","0.4","120","2","120.03","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0933","0.0438","","","0.0809","0.1038","","","","","","1.09","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549916","33.4492","0.0011","13.0989","0.0005","16.2467","0.0006","90","","112.538","0.003","90","","6574.8","0.4","280","1","280","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.1592","0.0679","","","0.0766","0.1098","","","","","","0.97","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549917","33.557","0.006","13.117","0.002","16.174","0.002","90","","112.407","0.005","90","","6581.8","1.8","280","2","280.02","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.098","0.0404","","","0.0716","0.0873","","","","","","0.996","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549918","33.219","0.003","12.9438","0.001","16.3125","0.0013","90","","111.934","0.003","90","","6506.3","0.9","120","2","119.94","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0877","0.0738","","","0.1969","0.209","","","","","","1.053","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549919","7.8612","0.0003","9.8518","0.0005","27.1605","0.0014","90","","90","","90","","2103.5","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 N4 O S -","- C23 H16 N4 O S -","- C92 H64 N16 O4 S4 -","4","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0615","0.0548","","","0.1558","0.1638","","","","","","1.092","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549920","8.7916","0.0002","5.6255","0.0001","14.7562","0.0003","90","","95.407","0.002","90","","726.55","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H10 N3 S2 -","- C17 H11 N3 S2 -","- C34 H22 N6 S4 -","2","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0329","0.0311","","","0.0814","0.0834","","","","","","1.037","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549921","8.098","0.0005","10.0379","0.0007","10.4154","0.0007","116.381","0.004","111.697","0.003","92.496","0.004","682.41","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C26 H34 N6 O8 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0878","0.0516","","","0.1145","0.1328","","","","","","1.05","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549922","6.695","0.0013","10.327","0.002","13.555","0.003","107.4","0.03","92.61","0.03","102.79","0.03","865.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C38 H42 N6 O10 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0576","0.0506","","","0.1359","0.1425","","","","","","1.044","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549923","9.999","0.002","17.469","0.004","8.521","0.0017","90","","98.76","0.03","90","","1471","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0575","0.0485","","","0.1211","0.1275","","","","","","1.066","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549924","8.789","0.0018","10.706","0.002","17.342","0.004","90","","99.97","0.03","90","","1607.2","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N3 O6 -","- C14 H23 N3 O6 -","- C56 H92 N12 O24 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0818","0.0552","","","0.1305","0.1465","","","","","","1.05","","","","has coordinates,has disorder","228688","2020-10-21","18:00:00",""
"1549925","12.8188","0.0008","6.1493","0.0004","13.1714","0.0008","90","","99.328","0.002","90","","1024.53","0.11","150","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0534","0.0446","","","0.1121","0.1203","","","","","","1.045","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549926","11.8801","0.0013","9.9317","0.0011","20.246","0.002","90","","104.31","0.004","90","","2314.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N3 O5 -","- C24 H31 N3 O5 -","- C96 H124 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1396","0.0764","","","0.1998","0.246","","","","","","1.028","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549927","6.747","0.0014","22.937","0.005","13.927","0.003","90","","90.66","0.03","90","","2155.1","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","OMe-a","","- C20 H21 Cl3 D N3 O5 -","- C20 H21 Cl3 D N3 O5 -","- C80 H84 Cl12 D4 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.05","0.0452","","","0.1194","0.1225","","","","","","1.11","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549928","11.253","0.002","15.863","0.003","22.909","0.005","90","","99.957","0.003","90","","4027.8","1.4","150","","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N3 O7.5 -","- C19 H28 N3 O7.5 -","- C152 H224 N24 O60 -","8","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1013","0.0732","","","0.1872","0.2083","","","","","","1.053","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549929","10.42","0.002","13.2","0.003","13.9","0.003","89.03","0.03","85.92","0.03","75.68","0.03","1847.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15.5 H20.27 Cl N3 O4.64 -","- C15.5 H21.1105 Cl N3 O4.55525 -","- C62 H84.442 Cl4 N12 O18.221 -","4","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1089","0.0935","","","0.2851","0.3019","","","","","","1.042","","","","has coordinates,has disorder","228688","2020-10-21","18:00:00",""
"1549930","37.232","0.008","37.232","0.008","80.093","0.018","90","","90","","120","","96152","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 Co48 N72 O126 S48 -","- C642 H600 Cl12 Co48 N72 O126 S48 -","- C1926 H1800 Cl36 Co144 N216 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.0915","0.0735","","","0.2054","0.2227","","","","","","0.982","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549931","37.799","0.006","37.799","0.006","86.192","0.013","90","","90","","120","","106649","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 N72 Ni48 O126 S48 -","- C642 H600 Cl12 N72 Ni48 O126 S48 -","- C1926 H1800 Cl36 N216 Ni144 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.1109","0.0617","","","0.1536","0.1692","","","","","","1.03","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549932","8.596","0.0006","9.3242","0.0008","9.5215","0.0007","101.132","0.007","103.244","0.006","96.071","0.006","719.84","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Li, Shuai-Shuai; Lv, Xintong; Ren, Didi; Shao, Chang-Lun; Liu, Qing; Xiao, Jian","Redox-triggered cascade dearomative cyclizations enabled by hexafluoroisopropanol.","Chemical science","2018","9","43","8253","8259","10.1039/c8sc03339k","","","1.54184","CuKα","","0.0547","0.051","","","0.1461","0.152","","","","","","1.111","","","","has coordinates","228689","2020-10-21","18:00:00",""
"1549934","26.0567","0.0005","14.2086","0.0003","28.6868","0.0006","90","","94.091","0.002","90","","10593.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","1","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","1","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.081","0.0576","","","0.1504","0.1668","","","","","","1.013","","","","has coordinates","228760","2020-10-21","18:00:00",""
"1549935","19.0205","0.0003","20.3813","0.0004","30.1755","0.0005","90","","90","","90","","11697.9","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","2","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","0.5","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.0634","0.054","","","0.161","0.1688","","","","","","1.072","","","","has coordinates","228760","2020-10-21","18:00:00",""
"1549936","22.923","0.002","11.8528","0.0011","15.482","0.003","90","","127.476","0.002","90","","3338.3","0.8","100","","100","","","","","","","","see text","7","C 1 2/m 1","-C 2y","12","","","","- C20 H26 Cu F18 N8 O P3 -","- C20 H26 Cu F18.008 N8 O1.002 P3.002 -","- C80 H104 Cu4 F72.032 N32 O4.008 P12.008 -","4","0.5","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0894","0.0655","","","0.1435","0.1561","","","","","","1.036","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549937","26.95","0.002","11.628","0.0008","21.3978","0.0016","90","","90.293","0.004","90","","6705.4","0.8","106","","106","","","","","","","","see text","8","C 1 c 1","C -2yc","9","","","","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C168 H236 Cu16 F96 N68 O16 P16 S16 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0666","0.0577","","","0.1459","0.1539","","","","","","1.044","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549938","10.1257","0.0013","12.8486","0.0017","14.7435","0.0018","110.335","0.006","96.001","0.007","97.292","0.007","1761.1","0.4","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C22 H28 F18 N11 O P3 -","- C22 H28 F18 N11 O P3 -","- C44 H56 F36 N22 O2 P6 -","2","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.069","0.0446","","","0.0955","0.1063","","","","","","1.027","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549939","13.8276","0.0018","17.576","0.002","22.488","0.003","90","","97.359","0.004","90","","5420.3","1.2","100","","100","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C148 H144 Cl16 Cu12 F36 N64 O44 S12 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0929","0.0839","","","0.1972","0.2023","","","","","","1.098","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549940","13.2572","0.0006","5.1221","0.0002","16.7741","0.0008","90","","97.5575","0.0019","90","","1129.15","0.09","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-fluoro-1,3-diphenyl-1,3-propanedione","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0412","0.0342","","","0.0848","0.0884","","","","","","1.153","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1549941","11.1604","0.0008","11.7655","0.0008","10.819","0.0008","90","","114.318","0.0017","90","","1294.57","0.16","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0813","0.0721","","","0.2084","0.2243","","","","","","1.105","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549942","8.5592","0.0005","12.9739","0.0008","12.3376","0.0008","90","","102.407","0.0017","90","","1338.05","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0672","0.058","","","0.1632","0.1749","","","","","","1.086","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549943","4.3647","0.0004","11.5018","0.001","12.3118","0.0011","90","","94.065","0.003","90","","616.52","0.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C30 H18 F6 O4 -","2","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0536","0.0415","","","0.093","0.0981","","","","","","1.044","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549944","6.0944","0.0008","30.676","0.004","6.881","0.0009","90","","90","","90","","1286.4","0.3","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-fluoro-1,3-bis(4-chlorophenyl)-1,3-propanedione","","- C15 H9 Cl2 F O2 -","- C15 H9 Cl2 F O2 -","- C60 H36 Cl8 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0527","0.0436","","","0.0941","0.0971","","","","","","1.213","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549945","31.944","0.002","7.0229","0.0005","6.1827","0.0005","90","","90","","90","","1387.02","0.17","120","","120","","","","","","","","","4","C m c 21","C 2c -2","36","","2-fluoro-1,3-bis(4-methoxyphenyl)-1,3-propanedione","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0953","0.0994","","","","","","1.042","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1549946","28.403","0.002","6.1029","0.0004","6.9953","0.0005","90","","102.753","0.003","90","","1182.66","0.14","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C60 H36 F12 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0523","0.0415","","","0.1156","0.123","","","","","","1.054","","","","has coordinates","288478","2023-12-21","16:01:39",""
"1549953","10.9035","0.0003","11.9862","0.0004","12.6785","0.0005","90","","90","","90","","1656.97","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl Sb -","- C18 H15 Au Cl Sb -","- C72 H60 Au4 Cl4 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0679","0.0419","","","0.0637","0.0736","","","","","","0.899","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549954","12.1481","0.001","29.298","0.002","12.605","0.001","90","","94.0574","0.0015","90","","4475.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C182.4 H204 Au8 Cl8 O3.6 Sb8 -","4","2","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0998","0.0786","","","0.193","0.2134","","","","","","1.08","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549955","18.6854","0.0003","14.9411","0.0003","28.657","0.0005","90","","97.503","0.001","90","","7932","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85.25 H73.25 Au Cl6 Sb5 -","- C85.202 H73.335 Au Cl5.9335 Sb4.9335 -","- C340.808 H293.34 Au4 Cl23.734 Sb19.734 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.1416","0.0628","","","0.0928","0.1186","","","","","","1.026","","","","has coordinates,has disorder","228752","2020-10-21","18:00:00",""
"1549956","16.7528","0.0008","46.762","0.002","22.2312","0.0011","90","","96.6202","0.0016","90","","17299.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C169 H142 Au13 B Cl6 Sb8 -","- C169 H142 Au13 B Cl6 Sb8 -","- C676 H568 Au52 B4 Cl24 Sb32 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0955","0.0741","","","0.1752","0.1914","","","","","","1.068","","","","has coordinates,has disorder","228752","2020-10-21","18:00:00",""
"1549957","24.5859","0.0004","11.8194","0.0002","26.9019","0.0004","90","","116.277","0.001","90","","7009.6","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C77 H77 Au Cl2 Sb4 -","- C77 H77 Au Cl2 Sb4 -","- C308 H308 Au4 Cl8 Sb16 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0765","0.044","","","0.0806","0.0955","","","","","","1.047","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549958","23.2608","0.0014","10.7528","0.0006","17.423","0.001","90","","117.976","0.001","90","","3848.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 F6 N8 Ni2 O4 S2 -","- C30 H46 F6 N8 Ni2 O4 S2 -","- C120 H184 F24 N32 Ni8 O16 S8 -","4","0.5","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.0575","0.0468","","","0.1382","0.1463","","","","","","1.054","","","","has coordinates,has disorder","228841","2020-10-21","18:00:00",""
"1549959","13.3985","0.0006","16.8518","0.0009","18.0347","0.0009","112.816","0.001","92.719","0.001","91.167","0.002","3745.9","0.3","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H88 F12 N12 Ni2 O5 S4 -","- C63 H88 F12 N12 Ni2 O5 S4 -","- C126 H176 F24 N24 Ni4 O10 S8 -","2","1","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.1066","0.0745","","","0.1782","0.2002","","","","","","1.028","","","","has coordinates,has disorder","228841","2020-10-21","18:00:00",""
"1549960","22.1222","0.0007","15.3352","0.0005","15.7519","0.0005","90","","92.864","0.003","90","","5337.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Fe2 N4 P3 -","- C54 H74 Fe2 N4 P3 -","- C216 H296 Fe8 N16 P12 -","4","0.5","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54184","CuKα","","0.0595","0.0554","","","0.1489","0.1566","","","","","","1.04","","","","has coordinates","228844","2020-10-21","18:00:00",""
"1549961","18.0839","0.0004","18.8962","0.0003","13.6307","0.0002","90","","115.729","0.002","90","","4196.05","0.15","150","0.1","150","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","1","0.125","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54178","CuKα","","0.0828","0.0757","","","0.219","0.2278","","","","","","1.054","","","","has coordinates,has disorder","228844","2020-10-21","18:00:00",""
"1549963","11.0105","0.0003","11.0264","0.0002","15.8268","0.0003","90","","90","","90","","1921.47","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N3 O3 -","- C23 H16 Cl N3 O3 -","- C92 H64 Cl4 N12 O12 -","4","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0534","0.0424","","","0.0794","0.0839","","","","","","1.072","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1549964","5.7355","0.0001","16.4707","0.0003","10.5767","0.0002","90","","105.481","0.0009","90","","962.91","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N3 O3 -","- C23 H16 Br N3 O3 -","- C46 H32 Br2 N6 O6 -","2","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0359","0.03","","","0.0629","0.0653","","","","","","1.035","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1549967","6.8768","0.0003","15.854","0.0008","16.6138","0.0006","90","","91.265","0.004","90","","1810.87","0.14","295.5","0.5","295.5","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 -","- C22 H19 N5 -","- C88 H76 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0697","0.0617","","","0.1606","0.1738","","","","","","1.04","","","","has coordinates","228764","2020-10-21","18:00:00",""
"1549968","11.7851","0.0004","19.9797","0.0006","8.1892","0.0003","90","","97.235","0.003","90","","1912.9","0.11","297.5","0.3","297.5","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0679","0.0588","","","0.1624","0.1753","","","","","","1.019","","","","has coordinates,has disorder","228764","2020-10-21","18:00:00",""
"1549969","8.038","0.0006","10.3402","0.0008","11.9954","0.0009","73.536","0.007","81.046","0.007","84.939","0.006","943.44","0.13","296.3","0.5","296.3","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C46 H36 N12 -","2","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0782","0.0684","","","0.1844","0.1999","","","","","","1.047","","","","has coordinates","228764","2020-10-21","18:00:00",""
"1549970","13.8657","0.0004","8.21008","0.00019","18.9838","0.0006","90","","111.052","0.003","90","","2016.85","0.11","296.5","0.6","296.5","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F3 N5 -","- C23 H18 F3 N5 -","- C92 H72 F12 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.07","0.0657","","","0.1531","0.1593","","","","","","1.086","","","","has coordinates,has disorder","228764","2020-10-21","18:00:00",""
"1549971","8.8767","0.0007","14.5893","0.0011","19.0022","0.0014","107.139","0.002","97.232","0.002","101.356","0.002","2260.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H63 Cl2 Co N5 O8 S3 -","- C38 H63 Cl2 Co N5 O8 S3 -","- C76 H126 Cl4 Co2 N10 O16 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.05","0.0478","","","0.1237","0.125","","","","","","1.061","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549972","21.1512","0.0008","9.0244","0.0004","21.2686","0.0009","90","","95.072","0.002","90","","4043.8","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Co N5 O6 S3 -","- C37 H57 Co N5 O6 S3 -","- C148 H228 Co4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0566","0.0413","","","0.0913","0.0984","","","","","","1.044","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549973","21.0944","0.0017","8.9422","0.0008","21.3506","0.0017","90","","94.977","0.002","90","","4012.2","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 N5 Ni O6 S3 -","- C37 H57 N5 Ni O6 S3 -","- C148 H228 N20 Ni4 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.1159","0.0901","","","0.2308","0.243","","","","","","1.156","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549974","8.9571","0.0007","14.5969","0.0011","18.6587","0.0014","107.64","0.001","99.252","0.001","103.157","0.001","2193.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H66 N5 Ni O8.5 S3 -","- C39 H66 N5 Ni O8.5 S3 -","- C78 H132 N10 Ni2 O17 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0306","0.0294","","","0.0783","0.0792","","","","","","1.038","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549975","21.195","0.0006","9.0313","0.0003","21.2797","0.0006","90","","94.91","0.001","90","","4058.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Fe N5 O6 S3 -","- C37 H57 Fe N5 O6 S3 -","- C148 H228 Fe4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0598","0.0432","","","0.0928","0.0977","","","","","","1.11","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549976","26.656","0.0008","9.6645","0.0003","31.5226","0.0009","90","","90.44","0.001","90","","8120.5","0.4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Fe N5 O7 S3 -","- C37 H59 Fe N5 O7 S3 -","- C296 H472 Fe8 N40 O56 S24 -","8","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0549","0.0384","","","0.0851","0.0906","","","","","","1.055","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549986","9.447","0.003","10.129","0.003","6.1571","0.0018","90","","123.42","0.03","90","","491.7","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C Cs3 O8 V -","- C Cs3 O8 V -","- C2 Cs6 O16 V2 -","2","0.5","","Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min","Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response.","Chemical science","2018","9","48","8957","8961","10.1039/c8sc03672a","","","0.71073","MoKα","","0.028","0.0258","","","0.0732","0.0972","","","","","","1.258","","","","has coordinates","228765","2020-10-21","18:00:00",""
"1549995","11.9262","0.0005","37.245","0.002","9.5161","0.0005","90","","102.531","0.004","90","","4126.3","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1468","0.08","","","0.2008","0.248","","","","","","1.053","","","","has coordinates","228769","2020-10-21","18:00:00",""
"1549996","11.7855","0.0007","9.0557","0.0006","38.491","0.003","90","","97.711","0.007","90","","4070.8","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1804","0.09","","","0.2275","0.2878","","","","","","1.115","","","","has coordinates,has disorder","228769","2020-10-21","18:00:00",""
"1549997","11.8126","0.001","9.1189","0.0007","38.869","0.004","90","","98.321","0.009","90","","4142.8","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.2466","0.1051","","","0.2321","0.3446","","","","","","1.012","","","","has coordinates","228769","2020-10-21","18:00:00",""
"1549998","15.8641","0.0014","15.937","0.0016","17.1695","0.0017","90","","92.645","0.002","90","","4336.3","0.7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H104 Mn Mo12 N16 O74 P8 -","- C16 H104 Mn Mo12 N16 O74 P8 -","- C32 H208 Mn2 Mo24 N32 O148 P16 -","2","0.5","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.0625","0.0418","","","0.0985","0.1144","","","","","","1.186","","","","has coordinates,has disorder","211284","2020-10-21","18:00:00",""
"1549999","27.4698","0.0012","27.4698","0.0012","39.881","0.003","90","","90","","90","","30094","3","300","2","300.27","","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- K16 Mn40 Mo96 Na8 O560 P68 -","- K16 Mn40 Mo96 Na8 O560 P68 -","- K32 Mn80 Mo192 Na16 O1120 P136 -","2","","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.0747","0.0479","","","0.1149","0.136","","","","","","1.089","","","","has coordinates","211284","2020-10-21","18:00:00",""
"1550000","26.9679","0.0005","26.9679","0.0005","41.154","0.0018","90","","90","","90","","29930","1.5","293","2","293","","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- Co10 Mn30 Mo96 Na24 O576 P68 -","- Co10 Mn30 Mo96 Na24 O576 P68 -","- Co20 Mn60 Mo192 Na48 O1152 P136 -","2","","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.04","0.0316","","","0.0736","0.0768","","","","","","1.041","","","","has coordinates","211284","2020-10-21","18:00:00",""
"1550001","13.5287","0.0003","14.9354","0.0003","15.4422","0.0003","87.648","0.001","65.253","0.001","71.914","0.001","2679.32","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 Al F45 O3 -","- C57 Al F45 O3 -","- C114 Al2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0756","0.0437","","","0.0824","0.0924","","","","","","1.016","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550002","12.8874","0.0003","13.362","0.0004","19.1533","0.0005","81.244","0.001","86.346","0.001","65.335","0.001","2962.37","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H8 Al F46 O4 Tl -","- C61 H8 Al F46 O4 Tl -","- C122 H16 Al2 F92 O8 Tl2 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.059","0.0449","","","0.1056","0.1121","","","","","","1.035","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550003","11.872","0.0002","13.5786","0.0003","22.6501","0.0004","83.441","0.001","84.275","0.001","85.147","0.001","3599.41","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H17 Al Cl2 F46 O3 -","- C77 H17 Al Cl2 F46 O3 -","- C154 H34 Al2 Cl4 F92 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0584","0.0439","","","0.0864","0.0916","","","","","","1.096","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550004","11.6429","0.0004","11.6834","0.0004","12.0655","0.0004","97.981","0.002","101.382","0.002","98.8","0.002","1565.64","0.09","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","1","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0918","0.0539","","","0.1199","0.1377","","","","","","1.023","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550005","12.9745","0.0006","14.9114","0.0007","32.7214","0.0015","84.388","0.002","88.756","0.002","88.372","0.002","6296.5","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H16 Al F45 O4 -","- C68 H16 Al F45 O4 -","- C272 H64 Al4 F180 O16 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.1322","0.07","","","0.1542","0.1762","","","","","","1.046","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550006","12.473","0.0005","12.4862","0.0005","24.3363","0.0009","92.264","0.001","102.069","0.001","109.518","0.001","3468.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H18 Al F45 O4 -","- C68 H18 Al F45 O4 -","- C136 H36 Al2 F90 O8 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0398","0.031","","","0.0761","0.0842","","","","","","1.043","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550007","13.5375","0.0003","24.2062","0.0005","20.9262","0.0004","90","","104.02","0.001","90","","6653.1","0.2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H20 Al F46 Li O5 -","- C65 H20 Al F46 Li O5 -","- C260 H80 Al4 F184 Li4 O20 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0917","0.0855","","","0.1828","0.1864","","","","","","1.24","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550008","13.4499","0.0005","13.5054","0.0005","44.2327","0.0016","98.198","0.001","92.575","0.001","90.287","0.001","7944","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H32 Al Cs F46 O7 -","- C73 H32 Al Cs F46 O7 -","- C292 H128 Al4 Cs4 F184 O28 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0756","0.055","","","0.1068","0.114","","","","","","1.08","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550009","13.2289","0.0003","14.1466","0.0003","17.4224","0.0004","86.299","0.001","85.794","0.001","67.503","0.001","3001.9","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H11 Al F45 N O3 -","- C66 H11 Al F45 N O3 -","- C132 H22 Al2 F90 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0482","0.0345","","","0.0803","0.0864","","","","","","1.037","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550010","24.8884","0.0012","23.4948","0.0012","22.4273","0.001","90","","105.82","0.002","90","","12617.6","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H15 Al F45 O4 P -","- C63 H15 Al F45 O4 P -","- C504 H120 Al8 F360 O32 P8 -","8","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.1133","0.0975","","","0.2325","0.2412","","","","","","1.128","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550011","13.8546","0.0004","14.2421","0.0004","20.1247","0.0006","94.513","0.001","96.029","0.001","119.026","0.001","3414.42","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H15 Al Cl F45 O3 -","- C76 H15 Al Cl F45 O3 -","- C152 H30 Al2 Cl2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0638","0.0388","","","0.0758","0.0836","","","","","","1.014","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550012","13.3297","0.0005","14.3059","0.0004","22.5568","0.0008","71.867","0.001","75.445","0.001","63.622","0.001","3629.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H36 Al F46 N O3 -","- C73 H36 Al F46 N O3 -","- C146 H72 Al2 F92 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0559","0.0389","","","0.0839","0.0906","","","","","","1.054","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550013","11.7732","0.0003","24.2075","0.0007","21.9598","0.0006","90","","90.568","0.001","90","","6258.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H13 Ag Al F46 N O4 -","- C63 H13 Ag Al F46 N O4 -","- C252 H52 Ag4 Al4 F184 N4 O16 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0357","0.0297","","","0.0682","0.0709","","","","","","1.101","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550014","22.4236","0.001","24.0454","0.0011","29.527","0.0014","91.684","0.002","111.56","0.002","98.389","0.002","14588.4","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H5 Al F45 N O3 -","- C62 H5 Al F45 N O3 -","- C620 H50 Al10 F450 N10 O30 -","10","5","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0983","0.0614","","","0.1222","0.1449","","","","","","1.099","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550018","9.2681","0.0005","10.4733","0.0005","10.8722","0.0005","82.9875","0.0015","85.2833","0.0017","74.7986","0.0016","1009.4","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","XC7","","","- C23 H24 Cl F Ir N -","- C23 H24 Cl F Ir N -","- C46 H48 Cl2 F2 Ir2 N2 -","2","1","","Chen, Xiao-Yang; Sorensen, Erik J.","Ir(iii)-catalyzed <i>ortho</i> C-H alkylations of (hetero)aromatic aldehydes using alkyl boron reagents.","Chemical science","2018","9","48","8951","8956","10.1039/c8sc03606c","","","0.71073","MoKα","","0.0251","0.0217","","","0.0474","0.0483","","","","","","1.089","","","","has coordinates","228770","2020-10-21","18:00:00",""
"1550019","11.0583","0.0001","10.7138","0.0001","21.6433","0.0003","90","","91.862","0.001","90","","2562.87","0.05","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","A4","","","- C38 H23 N3 O26 S8 -","- C38 H22 N3 O26 S8 -","- C76 H44 N6 O52 S16 -","2","1","","Jeamet, Emeric; Septavaux, Jean; Héloin, Alexandre; Donnier-Maréchal, Marion; Dumartin, Melissa; OURRI, Benjamin; Mandal, Pradeep Kumar; Huc, Ivan; Bignon, Emmanuelle; Dumont, Elise; Morell, Christophe; Francoia, Jean-Patrick; PERRET, Florent; Vial, Laurent; Leclaire, Julien","Wetting the lock and key enthalpically favours polyelectrolytes binding","Chemical Science","2018","","","","","10.1039/C8SC02966K","","","1.54184","CuKα","","0.0655","0.0633","","","0.1758","0.1818","","","","","","0.987","","","","has coordinates,has disorder","211351","2020-10-21","18:00:00",""
"1550020","13.4762","0.0003","15.1134","0.0003","10.0992","0.0002","90","","107.105","0.002","90","","1965.93","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1M","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Mao, Zhu; Yang, Zhan; Fan, Zhenguo; Ubba, Eethamukkala; Li, Wenlang; Li, Yang; Zhao, Juan; Yang, Zhiyong; Aldred, Matthew Phillip; Chi, Zhenguo","Methylation-effect in Prolonging the Pure Organic Room Temperature Phosphorescence Lifetime","Chemical Science","2018","","","","","10.1039/C8SC03019G","","x-ray","1.54184","CuKα","","0.0424","0.0386","","","0.0994","0.1034","","","","","","1.041","","","","has coordinates","211352","2020-10-21","18:00:00",""
"1550021","21.0963","0.0007","12.9096","0.0003","15.8774","0.0004","90","","101.148","0.003","90","","4242.5","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3M","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C216 H184 N8 O16 S8 -","8","1","","Mao, Zhu; Yang, Zhan; Fan, Zhenguo; Ubba, Eethamukkala; Li, Wenlang; Li, Yang; Zhao, Juan; Yang, Zhiyong; Aldred, Matthew Phillip; Chi, Zhenguo","Methylation-effect in Prolonging the Pure Organic Room Temperature Phosphorescence Lifetime","Chemical Science","2018","","","","","10.1039/C8SC03019G","","x-ray","1.54184","CuKα","","0.0417","0.0382","","","0.1033","0.1074","","","","","","1.051","","","","has coordinates","211352","2020-10-21","18:00:00",""
"1550022","5.2532","0.0004","5.321","0.0003","10.9671","0.0007","90","","101.974","0.0017","90","","299.89","0.03","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C12 H12 N4 O4 -","2","0.5","","Sieuw, Louis; Jouhara, Alia; Quarez, Eric; Auger, Chloe; Gohy, Jean-François; Poizot, Philippe; Vlad, Alexandru","H-bond Stabilized Quinone Electrode Material for Li-Organic Batteries: the Strength of Weak Bonds","Chemical Science","2018","","","","","10.1039/C8SC02995D","powder diffraction","x-ray","0.7458","synchrotron","","0.0665","0.0664","","0.1059","0.1059","","","","20.77","","","","","","","has coordinates","211368","2020-10-21","18:00:00",""
"1550023","15.8369","0.0012","16.9326","0.0013","21.2999","0.0016","90","","97.044","0.003","90","","5668.7","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H78 Cl2 F6 Ir N8 P -","- C55 H78 Cl2 F6 Ir N8 P -","- C220 H312 Cl8 F24 Ir4 N32 P4 -","4","1","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","","1.54184","CUKα","","0.0529","0.0454","","","0.1155","0.1256","","","","","","1.068","","","","has coordinates,has disorder","211369","2020-10-21","18:00:00",""
"1550024","24.7628","0.0007","23.6873","0.0007","39.6486","0.0013","90","","95.9405","0.0017","90","","23131.5","1.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54.25 H24 F20.75 Ir N8 O0.75 S0.25 -","- C54.25 H24 F20.75 Ir N8 O0.75 S0.25 -","- C868 H384 F332 Ir16 N128 O12 S4 -","16","4","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","x-ray","1.54178","CuKα","","0.1624","0.1073","","","0.2648","0.2863","","","","","","1.064","","","","has coordinates","211369","2020-10-21","18:00:00",""
"1550025","17.9784","0.0006","15.124","0.0006","19.0318","0.0006","90","","108.004","0.002","90","","4921.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 F6 Ir N8 P -","- C54 H64 F6 Ir N8 P -","- C216 H256 F24 Ir4 N32 P4 -","4","0.5","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","","1.54178","CuKα","","0.0298","0.0287","","","0.0686","0.0701","","","","","","1.111","","","","has coordinates,has disorder","211369","2020-10-21","18:00:00",""
"1550026","12.7322","0.0006","16.8417","0.001","26.2843","0.0012","77.893","0.003","84.194","0.002","78.728","0.003","5393.9","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58.12 H52.25 Cl0.25 F6 Ir N8 P -","- C58.125 H52.25 Cl0.25 F6 Ir N8 P -","- C232.5 H209 Cl F24 Ir4 N32 P4 -","4","2","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","","1.54178","CuKα","","0.0863","0.0559","","","0.1395","0.1526","","","","","","1.082","","","","has coordinates","211369","2020-10-21","18:00:00",""
"1550036","11.581","0.0013","20.328","0.002","27.709","0.003","68.687","0.001","88.434","0.001","80.525","0.001","5990.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H95 Co Li Mn O10 -","- C55 H95 Co Li Mn O10 -","- C220 H380 Co4 Li4 Mn4 O40 -","4","2","","Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V.","Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries","Chemical Science","2019","","","","","10.1039/C8SC03816C","","","0.71073","MoKα","","0.0918","0.0554","","","0.1326","0.1553","","","","","","1.024","","","","has coordinates,has disorder","211475","2020-10-21","18:00:00",""
"1550037","11.5679","0.0004","20.2647","0.0006","27.742","0.0007","68.6974","0.0007","88.552","0.0008","80.5081","0.0008","5971.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H95 Co0.5 Li Mn1.5 O10 -","- C55 H95 Co0.5 Li Mn1.5 O10 -","- C220 H380 Co2 Li4 Mn6 O40 -","4","2","","Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V.","Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries","Chemical Science","2019","","","","","10.1039/C8SC03816C","","","0.41328","synchrotron","","0.0735","0.0465","","","0.11","0.1238","","","","","","1.018","","","","has coordinates,has disorder","211475","2020-10-21","18:00:00",""
"1550038","8.9101","0.0003","9.4553","0.0003","14.4099","0.0004","90","","90","","90","","1214","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F N O3 -","- C12 H14 F N O3 -","- C48 H56 F4 N4 O12 -","4","1","","Guan, Yu-Qing; Han, Zhengyu; Li, Xiuxiu; You, Cai; Tan, Xuefeng; Lv, Hui; Zhang, Xumu","A cheap metal for a challenging task: nickel-catalyzed highly diastereo- and enantioselective hydrogenation of tetrasubstituted fluorinated enamides","Chemical Science","2018","","","","","10.1039/C8SC04002H","","","1.54178","CuKα","","0.0337","0.0336","","","0.0873","0.0874","","","","","","1.089","","","","has coordinates","211476","2020-10-21","18:00:00",""
"1550039","30.214","0.013","10.381","0.004","23.797","0.01","90","","113.791","0.005","90","","6830","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cr N8 O9 -","- C27 H41 Cr N8 O9 -","- C216 H328 Cr8 N64 O72 -","8","1","","Seo, Junghee; Cabelof, Alyssa; Chen, Chun-Hsing; Caulton, Kenneth G.","Selective Deoxygenation of Nitrate to Nitrosyl using Trivalent Chromium and the Mashima Reagent: Reductive Silylation","Chemical Science","2019","","","","","10.1039/C8SC02979B","","","0.41328","synchrotron","","0.1539","0.1283","","0.3578","0.3321","0.3578","","","","","","0.9998","","","","has coordinates,has disorder","211477","2020-10-21","18:00:00",""
"1550045","25.1615","0.0004","30.4928","0.0005","32.0095","0.0009","90","","90.675","0.002","90","","24557.4","0.9","83","0.6","83","0.6","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C268 H484 Ag80 F48 Mo16 N8 O120 S52 -","- C268 H484 Ag80 F48 Mo16 N8 O120 S52 -","- C536 H968 Ag160 F96 Mo32 N16 O240 S104 -","2","0.5","","SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster","Chemical Science","2019","","","","","10.1039/C8SC03396J","","x-ray","0.71073","MoKα","","0.1081","0.0737","","","0.1725","0.2016","","","","","","1.068","","","","has coordinates","211528","2020-10-21","18:00:00",""
"1550046","21.9533","0.0003","22.169","0.0003","22.999","0.0003","111.88","0.0011","109.228","0.0011","92.0299","0.001","9646.4","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C142 H294 Ag80 F48 Mo16 N6 O114 S52 -","- C142 H294 Ag80 F48 Mo16 N6 O114 S52 -","- C142 H294 Ag80 F48 Mo16 N6 O114 S52 -","1","0.5","","SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster","Chemical Science","2019","","","","","10.1039/C8SC03396J","","x-ray","0.71073","MoKα","","0.0576","0.0439","","","0.1137","0.1216","","","","","","1.05","","","","has coordinates,has disorder","211528","2020-10-21","18:00:00",""
"1550047","15.2173","0.0004","22.8792","0.0006","16.8807","0.0005","90","","90.605","0.001","90","","5876.9","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B Dy F20 -","- C64 H70 B Dy F20 -","- C256 H280 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0732","0.065","","","0.17","0.1759","","","","","","1.06","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550048","14.9801","0.0004","23.0586","0.0007","16.7069","0.0005","90","","90.789","0.002","90","","5770.4","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B Dy F20 -","- C62 H66 B Dy F20 -","- C248 H264 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0854","0.0682","","","0.1588","0.171","","","","","","1.054","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550049","16.5863","0.0017","14.4989","0.0015","22.708","0.002","90","","90.0586","0.0016","90","","5460.9","0.9","100","2","99.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C232 H232 B4 Dy4 F80 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0756","0.0721","","","0.181","0.1851","","","","","","1.069","","","","has coordinates","228845","2020-10-21","18:00:00",""
"1550050","14.5","0.02","16.63","0.03","46.59","0.08","90","","90.027","0.012","90","","11234","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B Dy F20 -","- C60 H62 B Dy F20 -","- C480 H496 B8 Dy8 F160 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0761","0.057","","","0.1354","0.1497","","","","","","1.035","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550051","8.8828","0.0006","19.2484","0.0013","10.8095","0.0007","90","","113.471","0.004","90","","1695.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CYN-UP","","","- C18 H23 N5 O -","- C18 H23 N5 O -","- C72 H92 N20 O4 -","4","1","","Choi, Yoona; Kim, Heejun; Park, Seung Bum","Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy","Chemical Science","2019","","","","","10.1039/C8SC04061C","","","0.71073","MoKα","","0.0824","0.0479","","","0.1151","0.1365","","","","","","1.007","","","","has coordinates","211530","2020-10-21","18:00:00",""
"1550052","9.7756","0.0012","12.9665","0.0016","12.9912","0.0016","84.4412","0.0012","86.9004","0.0012","84.193","0.0012","1628.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","CYN-P1","","","- C17 H22 N5 O -","- C17 H22 N5 O -","- C68 H88 N20 O4 -","4","2","","Choi, Yoona; Kim, Heejun; Park, Seung Bum","Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy","Chemical Science","2019","","","","","10.1039/C8SC04061C","","","0.71073","MoKα","","0.1345","0.0657","","","0.1432","0.1765","","","","","","1.014","","","","has coordinates","211530","2020-10-21","18:00:00",""
"1550053","12.8268","0.0011","21.9164","0.0019","17.7812","0.0015","90","","99.648","0.003","90","","4927.9","0.7","100","","99.93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 N2 O8 V -","- C50 H84 N2 O8 V -","- C200 H336 N8 O32 V4 -","4","0.5","","Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph","Counterion Influence on Dynamic Spin Properties in a V(IV) Complex","Chemical Science","2019","","","","","10.1039/C8SC04122A","","x-ray","0.71073","MoKα","","0.0756","0.0657","","","0.1446","0.151","","","","","","1.229","","","","has coordinates,has disorder","211531","2020-10-21","18:00:00",""
"1550054","21.013","0.005","23.356","0.006","15.4","0.003","90","","132.546","0.006","90","","5568","2","100","","100.37","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H92 N2 O6 V -","- C54 H92 N2 O6 V -","- C216 H368 N8 O24 V4 -","4","1","","Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph","Counterion Influence on Dynamic Spin Properties in a V(IV) Complex","Chemical Science","2019","","","","","10.1039/C8SC04122A","","x-ray","0.71073","MoKα","","0.0848","0.0696","","","0.1624","0.1717","","","","","","1.15","","","","has coordinates,has disorder","211531","2020-10-21","18:00:00",""
"1550065","10.4966","0.0005","12.3975","0.0008","13.2265","0.001","104.289","0.006","99.208","0.005","101.826","0.005","1591.78","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1048","0.0734","","","0.182","0.2053","","","","","","1.024","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550066","10.3106","0.0002","14.6582","0.0003","27.9536","0.0004","75.075","0.002","86.248","0.002","70.983","0.002","3858.64","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0738","0.0645","","","0.1512","0.1555","","","","","","1.153","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550067","10.741","0.0011","11.0043","0.0011","15.1711","0.0014","69.405","0.009","70.878","0.009","76.429","0.009","1571.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.1126","0.0738","","","0.194","0.2183","","","","","","1.034","","","","has coordinates","228842","2020-10-21","18:00:00",""
"1550068","16.25392","0.00013","38.80173","0.00018","16.36512","0.00011","90","","119.106","0.001","90","","9017.85","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C87 H127 Co Gd N4 O9 P3 Si2 -","- C87.0084 H127.021 Co Gd N4 O9.0063 P3.0021 Si2 -","- C348.034 H508.084 Co4 Gd4 N16 O36.0252 P12.0084 Si8 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0191","0.0191","","","0.0477","0.0477","","","","","","1.086","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550069","18.266","0.0003","14.9061","0.0002","33.9132","0.0005","90","","104.455","0.001","90","","8941.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C87 H127 Co N4 O9 P3 Si2 Y -","- C87 H127 Co N4 O9 P3 Si2 Y -","- C348 H508 Co4 N16 O36 P12 Si8 Y4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","1.54184","CuKα","K-L~3~","0.0438","0.0401","","","0.105","0.1075","","","","","","1.061","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550070","8.05199","0.00012","13.9466","0.0002","31.93","0.0005","90","","90.63","0.0013","90","","3585.45","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H108 N4 O4 Si2 Zn -","- C74 H108 N4 O4 Si2 Zn -","- C148 H216 N8 O8 Si4 Zn2 -","2","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.0629","0.0575","","","0.1669","0.171","","","","","","1.092","","","","has coordinates","228842","2020-10-21","18:00:00",""
"1550071","19.34446","0.00016","39.8242","0.0004","20.5371","0.0002","90","","90.4603","0.0009","90","","15820.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H107 Co Dy N4 O9 P3 Si -","- C78 H107 Co Dy N4 O9 P3 Si -","- C624 H856 Co8 Dy8 N32 O72 P24 Si8 -","8","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.083","0.0588","","","0.1289","0.1387","","","","","","1.082","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550072","13.171","0.0004","14.3764","0.0004","19.9456","0.0006","90.736","0.002","91.97","0.002","108.933","0.003","3569.14","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.5 H96 Cl N7 Si2 Zn -","- C77.5 H96 Cl N7 Si2 Zn -","- C155 H192 Cl2 N14 Si4 Zn2 -","2","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1224","0.0814","","","0.1989","0.2218","","","","","","1.035","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550073","10.3082","0.0001","14.6723","0.0002","27.9524","0.0005","75.061","0.001","86.208","0.001","71.139","0.001","3864.76","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0659","0.0625","","","0.1302","0.1316","","","","","","1.278","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550074","10.2534","0.00018","14.6267","0.0003","27.8407","0.0005","75.0624","0.0016","86.2571","0.0015","71.1737","0.0016","3817.71","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","K-L~3~","0.0575","0.0499","","","0.1096","0.1126","","","","","","1.102","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550075","16.1487","0.0003","19.0993","0.0003","30.5159","0.0005","98.382","0.001","92.063","0.001","97.559","0.001","9215.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C348 H508 Co4 Dy4 N16 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0626","0.053","","","0.1236","0.1267","","","","","","1.09","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550076","31.5498","0.0004","16.095","0.0001","19.4714","0.0002","90","","107.306","0.001","90","","9439.85","0.17","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C88.5 H130 Cl3 Co N4 O9 P3 Si2 Tb -","- C87 H127 Co N4 O9 P3 Si2 Tb -","- C348 H508 Co4 N16 O36 P12 Si8 Tb4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1022","0.0872","","","0.2518","0.2681","","","","","","1.048","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550077","16.1981","0.0003","23.3852","0.0004","25.473","0.0005","73.821","0.002","89.254","0.002","86.965","0.001","9253.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C356 H500 Co4 Dy4 N24 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.102","0.0782","","","0.1694","0.1815","","","","","","1.117","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550083","13.7826","0.0005","9.2243","0.0002","15.0346","0.0005","90","","111.733","0.004","90","","1775.56","0.11","270","2","270","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0672","0.0467","","","0.1117","0.1245","","","","","","1.046","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550084","13.8567","0.0006","9.2431","0.0002","15.1049","0.0006","90","","111.846","0.005","90","","1795.69","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0744","0.0477","","","0.1147","0.1298","","","","","","1.05","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550085","13.9193","0.0008","9.2488","0.0003","15.1658","0.0007","90","","111.938","0.006","90","","1811.02","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0878","0.0493","","","0.1158","0.1374","","","","","","1.021","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550086","13.5882","0.0007","9.2068","0.0005","14.8687","0.0008","90","","111.294","0.0018","90","","1733.14","0.16","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0487","0.0408","","","0.1017","0.107","","","","","","1.044","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550087","9.824","0.0005","6.304","0.0004","25.0331","0.0018","90","","90.602","0.005","90","","1550.23","0.17","370","2","370","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.1028","0.0489","","","0.1088","0.1382","","","","","","1.012","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550088","18.848","0.0007","7.4991","0.0003","12.2152","0.0005","90","","107.691","0.0015","90","","1644.89","0.11","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-anisyl)-1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.0995","0.1068","","","","","","1.051","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550089","9.7695","0.0008","6.177","0.0005","24.65","0.002","90","","90.36","0.007","90","","1487.5","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0977","0.0541","","","0.0941","0.1154","","","","","","1.043","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550090","9.7901","0.0006","6.2016","0.0004","24.0401","0.0014","90","","92.931","0.002","90","","1457.67","0.16","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)9-(4-Fluorophenyl)-1-phenyltricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0863","0.0462","","","0.091","0.1034","","","","","","1.031","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550091","9.8084","0.0003","6.2441","0.0002","24.8702","0.0009","90","","90.457","0.003","90","","1523.12","0.09","270","2","270","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0674","0.0428","","","0.097","0.111","","","","","","1.017","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550092","9.9209","0.0004","9.9803","0.0004","11.1024","0.0004","90","","90","","90","","1099.29","0.07","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-one","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0436","0.0345","","","0.079","0.0824","","","","","","1.048","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550093","16.0612","0.0011","7.15","0.0005","14.5266","0.001","90","","98.455","0.003","90","","1650.1","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-Fluorophenyl)-1-(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0848","0.0494","","","0.1005","0.1136","","","","","","1.022","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550094","9.8199","0.0003","6.2643","0.0002","24.9393","0.0008","90","","90.51","0.003","90","","1534.08","0.08","320","2","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0767","0.0461","","","0.101","0.1174","","","","","","1.023","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550096","25.7276","0.0005","25.7276","0.0005","7.7202","0.0003","90","","90","","90","","5110.1","0.2","100","2","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C41 H56 N8 O20 S4 -","- C41 H56 N8 O20 S4 -","- C164 H224 N32 O80 S16 -","4","0.25","","Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina","Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics","Chemical Science","2019","","","","","10.1039/C8SC04376K","","x-ray","0.7","synchrotron","","0.0503","0.0486","","","0.1401","0.1429","","","","","","1.083","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1550097","25.1179","0.0007","25.1179","0.0007","7.6702","0.0005","90","","90","","90","","4839.2","0.4","273","2","273.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","POS-1 273K","","- C41 H40 N8 O12 S4 -","- C164 H160 N32 O48 S16 -","- C164 H160 N32 O48 S16 -","1","0.0625","","Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina","Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics","Chemical Science","2019","","","","","10.1039/C8SC04376K","","","0.71073","MoKα","","0.128","0.0936","","","0.2728","0.31","","","","","","1.153","","","","has coordinates,has disorder","277994","2022-09-20","08:32:41",""
"1550098","10.6996","0.0003","11.6143","0.0004","11.6936","0.0004","73.834","0.0008","68.49","0.0008","74.621","0.0009","1276.66","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 Cl2 N10 O8 Pd -","- C52 H58 Cl2 N10 O8 Pd -","- C52 H58 Cl2 N10 O8 Pd -","1","0.5","","Kartha, Kalathil K.; Allampally, Naveen Kumar; Politi, Antiope T.; Prabhu, Deepak Dayanandan; Ouchi, Hayato; Albuquerque, Rodrigo Q.; Yagai, Shiki; Fernandez, Gustavo","Influence of Metal Coordination and Light Irradiation on Hierarchical Self-Assembly Processes","Chemical Science","2019","","","","","10.1039/C8SC03875A","","","1.54178","CuKα","","0.03","0.0299","","","0.079","0.0791","","","","","","1.051","","","","has coordinates","211643","2020-10-21","18:00:00",""
"1550126","23.5257","0.0001","23.5257","0.0001","23.5257","0.0001","90","","90","","90","","13020.5","0.1","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O68 Rh4 S12 Zn4 -","- C36 H60 K5.9996 N12 O67.9993 Rh4 S12 Zn4 -","- C144 H240 K23.9984 N48 O271.997 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.6","","","0.0581","0.0575","","","0.1502","0.1513","","","","","","1.103","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550127","23.574","0.007","23.574","0.007","23.574","0.007","90","","90","","90","","13101","7","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 N12 Na O79 Rh4 S12 Zn4 -","- C36 H60 N12 Na0.9999 O79 Rh4 S12 Zn4 -","- C144 H240 N48 Na3.9996 O316 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.7009","synchrotron","","0.1254","0.1054","","","0.2571","0.282","","","","","","1.064","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550128","23.55","0.003","23.55","0.003","23.55","0.003","90","","90","","90","","13061","3","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 N12 O77.5 Rh4 S12 Zn4 -","- C36 H60 N12 O77.4999 Rh4 S12 Zn4 -","- C144 H240 N48 O310 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.701","synchrotron","","0.0773","0.0599","","","0.148","0.1603","","","","","","1.044","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550131","5.5263","0.0001","7.588","0.0002","31.5641","0.0006","90","","90","","90","","1323.6","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0334","0.033","","","0.0866","0.0869","","","","","","1.069","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550132","22.7253","0.0004","22.7253","0.0004","7.5782","0.0002","90","","90","","90","","3913.68","0.14","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C11 H16 O -","- C11 H16 O -","- C176 H256 O16 -","16","","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1395","0.1431","","","","","","1.081","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550133","7.4736","0.0001","20.0163","0.0002","8.2616","0.0001","90","","113.345","0.002","90","","1134.71","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C48 H64 O16 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","1.54184","CuKα","","0.0408","0.0396","","","0.1091","0.1098","","","","","","1.102","","","","has coordinates,has disorder","211694","2020-10-21","18:00:00",""
"1550134","26.8452","0.0002","26.8452","0.0002","11.2309","0.0001","90","","90","","120","","7009.36","0.1","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H18 F2 O -","- C19 H18 F2 O -","- C342 H324 F36 O18 -","18","","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0463","0.0447","","","0.1205","0.1217","","","","","","1.059","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550135","11.1125","0.0004","8.0779","0.0003","13.1558","0.0005","90","","98.011","0.002","90","","1169.41","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O9 -","- C24 H32 O9 -","- C48 H64 O18 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","0.71073","MoKα","","0.0321","0.0305","","","0.0805","0.0821","","","","","","1.064","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550136","8.032","0.0003","6.3518","0.0002","16.1371","0.0006","90","","93.7797","0.0015","90","","821.49","0.05","100","2","99.97","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","1.54178","CuKα","","0.0249","0.0243","","","0.0616","0.062","","","","","","1.0956","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550137","15.868","0.003","19.123","0.004","26.124","0.005","82.02","0.03","87.25","0.03","89.73","0.03","7841","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","CdSDCTzTz","","","- C128 H72 Cd4 N16 O16 S8 Se4 -","- C127 H69 Cd4 N16 O16 S8 Se4 -","- C254 H138 Cd8 N32 O32 S16 Se8 -","2","1","","Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle","Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units","Chemical Science","2019","","","","","10.1039/C8SC01128A","","","0.71073","Synchrotron","","0.1524","0.1233","","","0.3461","0.3616","","","","","","1.335","","","","has coordinates","211695","2020-10-21","18:00:00",""
"1550138","25.811","0.005","18.453","0.004","15.943","0.003","90","","90.91","0.03","90","","7593","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ZnSDCTzTz","","","- C64 H36 N8 O8 S4 Se2 Zn2 -","- C64 H36 N8 O8 S4 Se2 Zn2 -","- C256 H144 N32 O32 S16 Se8 Zn8 -","4","1","","Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle","Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units","Chemical Science","2019","","","","","10.1039/C8SC01128A","","","0.71073","Synchrotron","","0.0963","0.0589","","","0.1427","0.1572","","","","","","0.958","","","","has coordinates,has disorder","211695","2020-10-21","18:00:00",""
"1550149","14.1464","0.0003","13.3562","0.0004","25.4313","0.0007","90","","103.789","0.002","90","","4666.6","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 Cl3 Co F6 Ni P3 S2 -","- C40 H47 Cl3 Co F6 Ni P3 S2 -","- C160 H188 Cl12 Co4 F24 Ni4 P12 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","","1.54184","CuKα","","0.1301","0.0956","","","0.2144","0.2377","","","","","","1.067","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550150","10.9745","0.0005","13.331","0.0006","17.0646","0.0008","78.527","0.004","79.83","0.004","69.506","0.004","2276.23","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H49 B Cl4 Co F4 Ni P2 S2 -","- C41 H50 B Cl4 Co F4 Ni P2 S2 -","- C82 H100 B2 Cl8 Co2 F8 Ni2 P4 S4 -","2","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","","1.54184","CuKα","","0.0874","0.0715","","","0.1854","0.2049","","","","","","1.061","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550151","12.9111","0.0002","20.1158","0.0004","16.543","0.0003","90","","99.543","0.002","90","","4237.04","0.13","192.99","0.1","192.99","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 B Cl2 Co F4 Ni P2 S2 -","- C40 H47 B Cl2 Co F4 Ni P2 S2 -","- C160 H188 B4 Cl8 Co4 F16 Ni4 P8 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","x-ray","1.54184","CuKα","","0.085","0.0673","","","0.1677","0.1838","","","","","","1.026","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550152","12.4735","0.00019","15.403","0.0002","19.4262","0.0003","90","","106.452","0.0017","90","","3579.53","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Co Ni P2 S2 -","- C39 H45 Co Ni P2 S2 -","- C156 H180 Co4 Ni4 P8 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","","1.54184","CuKα","","0.0432","0.037","","","0.0881","0.0926","","","","","","1.038","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550153","21.9622","0.0009","11.6996","0.0004","20.9046","0.0007","90","","90","","90","","5371.4","0.3","172.99","0.1","172.99","0.1","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H60 B2 Co F8 N5 Ni P2 S2 -","- C49 H60 B2 Co F8 N5 Ni P2 S2 -","- C196 H240 B8 Co4 F32 N20 Ni4 P8 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","x-ray","0.71","MoKα","","0.0417","0.0354","","","0.0822","0.0852","","","","","","1.04","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550154","23.1698","0.0006","13.7779","0.0004","18.0308","0.0004","90","","93.776","0.001","90","","5743.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Lu2@Td-C76 Ni(OEP)","Lu2@Td-C76 Ni(OEP)","","- C124 H56 Lu2 N4 Ni S0 -","- C124 H56 Lu2 N4 Ni -","- C496 H224 Lu8 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.0937","0.0921","","","0.2396","0.2408","","","","","","1.063","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550155","25.274","0.005","14.939","0.005","19.653","0.005","90","0.005","93.796","0.005","90","0.005","7404","3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@D3h-C78 Ni(OEP)","Lu2@D3h-C78 Ni(OEP)","","- C126 H56 Lu2 N4 Ni -","- C126 H56 Lu1.9999 N4 Ni -","- C504 H224 Lu7.9996 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.0997","0.0928","","","0.2724","0.2807","","","","","","1.055","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550156","25.41","0.005","15.11","0.005","19.917","0.005","90","0.005","94.51","0.005","90","0.005","7623","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@C2v-C84 Ni(OEP)","Lu2@C2v-C84 Ni(OEP)","","- C126 H50 Lu2 N4 Ni -","- C126 H50 Lu2.0001 N4 Ni -","- C504 H200 Lu8.0004 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.089","0.0818","","","0.2353","0.2438","","","","","","1.068","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550157","14.604","0.005","15.012","0.005","19.852","0.005","85.556","0.005","88.966","0.005","62.445","0.005","3846","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Lu2C2@C2v-C86 Ni(OEP)","Lu2C2@C2v-C86 Ni(OEP)","","- C130 H50 Lu2 N4 Ni -","- C130 H50 Lu2.0001 N4 Ni -","- C260 H100 Lu4.0002 N8 Ni2 -","2","1","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.71069","MoKα","","0.1157","0.1047","","","0.2705","0.2816","","","","","","1.058","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550158","14.749","0.005","15.029","0.005","19.899","0.005","84.624","0.005","88.62","0.005","62.644","0.005","3899","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Lu2C2@Cs-C88 Ni(OEP)","Lu2C2@Cs-C88 Ni(OEP)","","- C136 H53.6 Lu2 N4 Ni S0.8 -","- C136 H53.6 Lu1.9999 N4 Ni S0.8 -","- C272 H107.2 Lu3.9998 N8 Ni2 S1.6 -","2","1","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.0991","0.0916","","","0.254","0.2637","","","","","","1.039","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550159","24.454","0.005","18.039","0.005","22.303","0.005","90","0.005","101.767","0.005","90","0.005","9632","4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@Cs(8)-C86 Ni(OEP)","Lu2@Cs(8)-C86 Ni(OEP)","","- C292 H144 Lu4 N12 Ni3 -","- C292 H144 Lu3.9998 N12 Ni3 -","- C584 H288 Lu7.9996 N24 Ni6 -","2","0.25","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.71069","MoKα","","0.1807","0.1332","","","0.2687","0.2976","","","","","","1.014","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550160","25.186","0.005","15.099","0.005","19.694","0.005","90","","94.158","0.005","90","","7470","3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@C2v-C80 Ni(OEP)","Lu2@C2v-C80 Ni(OEP)","","- C128 H56 Lu2 N4 Ni -","- C128 H56 Lu1.9997 N4 Ni -","- C512 H224 Lu7.9988 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.1238","0.1125","","","0.2978","0.3111","","","","","","1.036","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550161","24.634","0.005","17.744","0.005","23.328","0.005","90","0.005","103.22","0.005","90","0.005","9927","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu3N@D2-C88 Ni(OEP)","Lu3N@D2-C88 Ni(OEP)","","- C296 H144 Lu6 N14 Ni3 -","- C296 H144 Lu5.9994 N14 Ni3 -","- C592 H288 Lu11.9988 N28 Ni6 -","2","0.25","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.1766","0.1516","","","0.3278","0.3417","","","","","","1.066","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550162","24.121","0.005","18.19","0.005","18.497","0.005","90","0.005","90.466","0.005","90","0.005","8115","4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Lu2@C1-C88 Ni(OEP)","Lu2@C1-C88 Ni(OEP)","","- C136 H56 Lu2 N4 Ni S0 -","- C136 H56 Lu2.0001 N4 Ni -","- C544 H224 Lu8.0004 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.074","0.0586","","","0.137","0.153","","","","","","1.042","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550163","24.149","0.005","18.02","0.005","18.486","0.005","90","","90.22","0.005","90","","8044","4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@Cs(15)-C86 Ni(OEP)","Lu2@Cs(15)-C86 Ni(OEP)","","- C134 H56 Lu2 N4 Ni -","- C134 H56 Lu2 N4 Ni -","- C536 H224 Lu8 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.71069","MoKα","","0.0907","0.0787","","","0.22","0.2352","","","","","","1.022","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550164","11.0254","0.0004","11.0254","0.0004","10.3961","0.0009","90","","90","","90","","1263.74","0.13","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- B4.09 Ba4 Bi2 O29 Si7.91 -","- B4.092 Ba4 Bi2 O29 Si7.908 -","- B8.184 Ba8 Bi4 O58 Si15.816 -","2","0.125","","Tang, Ruling; Hu, Chun-Li; Mao, Feifei; Feng, Jianghe; Mao, Jianggao","Ba4Bi2(Si8-xB4+xO29)(x=0.09): A New Acentric Metal Borosilicate as Promising Nonlinear Optical Material","Chemical Science","2019","","","","","10.1039/C8SC04342F","","","0.71073","MoKα","","0.0177","0.0169","","","0.0329","0.0333","","","","","","1.036","","","","has coordinates","211728","2020-10-21","18:00:00",""
"1550165","7.70304","0.00011","11.49824","0.00016","26.9058","0.0004","90","","90","","90","","2383.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Ir O2 Si -","- C25 H39 Ir O2 Si -","- C100 H156 Ir4 O8 Si4 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0223","0.0205","","","0.0366","0.0374","","","","","","1.042","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550166","10.8334","0.0002","8.23239","0.00014","22.2298","0.0004","90","","98.0838","0.0017","90","","1962.86","0.06","100","0.1","100","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C22 H31 Ir O2 -","- C22 H31 Ir O2 -","- C88 H124 Ir4 O8 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0247","0.0235","","","0.0488","0.0497","","","","","","1.042","","","","has coordinates,has disorder","211729","2020-10-21","18:00:00",""
"1550167","7.53335","0.00013","10.27117","0.00014","22.6089","0.0003","90","","90","","90","","1749.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O2 Si -","- C17 H28 O2 Si -","- C68 H112 O8 Si4 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0567","0.0569","","","","","","1.058","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550168","10.1531","0.0002","14.0965","0.0003","23.1228","0.0006","90","","102.019","0.002","90","","3236.86","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H43 Ir O2 Si -","- C40 H43 Ir O2 Si -","- C160 H172 Ir4 O8 Si4 -","4","2","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0448","0.0409","","","0.0881","0.0912","","","","","","1.052","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550170","23.729","0.003","22.495","0.003","36.442","0.005","90","","90.573","0.004","90","","19451","4","100","","100","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C680 H716 B8 Cu16 F196 Zn40 -","8","2","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.1143","0.0663","","","0.1475","0.1685","","","","","","1.024","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550171","16.1793","0.0014","37.93","0.003","17.4798","0.0015","90","","105.636","0.003","90","","10330","1.5","100","","100","","","","","","","","see text","4","P 1 n 1","P -2yac","7","","","","- C50 H75 Cu3 Zn4 -","- C50 H75 Cu3 Zn4 -","- C400 H600 Cu24 Zn32 -","8","4","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.047","0.0408","","","0.0958","0.0993","","","","","","1.061","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550175","7.9225","0.0003","12.5631","0.0006","14.0398","0.0005","114.96","0.004","94.483","0.003","104.346","0.004","1200.53","0.1","150.03","0.1","150","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Ba N O10 -","- C25 H21 Ba N O10 -","- C50 H42 Ba2 N2 O20 -","2","1","","Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin","Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups","Chemical Science","2019","","","","","10.1039/C8SC03022G","","","0.71073","MoKα","","0.0374","0.0336","","","0.0832","0.0865","","","","","","1.057","","","","has coordinates","211769","2020-10-21","18:00:00",""
"1550176","9.3111","0.0003","12.4288","0.0004","14.3649","0.0004","83.592","0.002","85.579","0.002","82.416","0.002","1634.27","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H31.5 Ba2 N0.5 O19.5 -","- C24.5 H31.5 Ba2 N0.5 O19.5 -","- C49 H63 Ba4 N O39 -","2","1","","Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin","Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups","Chemical Science","2019","","","","","10.1039/C8SC03022G","","","0.6889","","","0.0626","0.0529","","","0.154","0.1605","","","","","","1.124","","","","has coordinates,has disorder","211769","2020-10-21","18:00:00",""
"1550177","11.44352","0.00015","17.2735","0.0002","14.1871","0.0002","90","","92.302","0.0013","90","","2802.1","0.06","120.03","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H25.5 Ba2 N1.5 O11 -","- C26.5 H25.5 Ba2 N1.5 O11 -","- C106 H102 Ba8 N6 O44 -","4","1","","Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin","Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups","Chemical Science","2019","","","","","10.1039/C8SC03022G","","","1.54184","CuKα","","0.0455","0.044","","","0.1151","0.1169","","","","","","1.066","","","","has coordinates,has disorder","211769","2020-10-21","18:00:00",""
"1550178","8.2597","0.0003","10.958","0.0005","12.6335","0.0006","66.777","0.005","75.242","0.004","70.583","0.004","980.91","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl2 N2 Ru -","- C20 H24 Cl2 N2 Ru -","- C40 H48 Cl4 N4 Ru2 -","2","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0343","0.0285","","","0.0636","0.0661","","","","","","1.033","","","","has coordinates","211770","2020-10-21","18:00:00",""
"1550179","9.3201","0.0004","15.1082","0.0007","17.7752","0.0009","110.273","0.0015","96.128","0.0015","106.322","0.0015","2194.55","0.18","101","","101.2","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","1","0.5","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0321","0.0276","","","0.0641","0.0687","","","","","","1.084","","","","has coordinates,has disorder","211770","2020-10-21","18:00:00",""
"1550180","13.4659","0.001","14.5842","0.0012","17.9402","0.0014","83.467","0.003","80.563","0.002","79.39","0.003","3403.4","0.5","109","2","108.8","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N2 Ru2 -","- C42 H40 N2 Ru2 -","- C168 H160 N8 Ru8 -","4","2","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0377","0.0255","","","0.0538","0.0578","","","","","","1.029","","","","has coordinates","211770","2020-10-21","18:00:00",""
"1550181","13.8109","0.0008","28.5059","0.0014","19.585","0.001","90","","91.4431","0.0019","90","","7708","0.7","102","","101.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H107.92 K2 N2 O16 Ru2 -","- C76 H107.934 K2 N2 O16 Ru2 -","- C304 H431.736 K8 N8 O64 Ru8 -","4","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0613","0.0529","","","0.1375","0.1447","","","","","","1.08","","","","has coordinates,has disorder","211770","2020-10-21","18:00:00",""
"1550182","21.316","0.004","29.316","0.006","12.6238","0.0019","90","","90","","90","","7889","2","109","2","108.9","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[3-H(OTf)]","","- C42.94 H37 F3 N2 O4.5 Ru2 S -","- C42.9405 H37 F3 N2 O4.5 Ru2 S -","- C343.524 H296 F24 N16 O36 Ru16 S8 -","8","2","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0252","0.0221","","","0.0495","0.0509","","","","","","1.0574","","","","has coordinates,has disorder","211770","2020-10-21","18:00:00",""
"1550185","9.613","0.0007","10.3609","0.0007","15.3479","0.001","90","","93.156","0.003","90","","1526.32","0.18","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NiSPh","","- C14.4 H23.21 N2 Ni S2 -","- C14.408 H23.224 N2 Ni S2 -","- C57.632 H92.896 N8 Ni4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0629","0.0603","","","0.133","0.1343","","","","","","1.065","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550186","8.3021","0.0014","16.204","0.003","11.629","0.0017","90","","107.667","0.01","90","","1490.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 Ni S Se -","- C14 H22 N2 Ni S Se -","- C56 H88 N8 Ni4 S4 Se4 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54184","CuKα","","0.0418","0.0332","","","0.0774","0.0809","","","","","","1.073","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550187","11.436","0.0015","11.886","0.003","12.406","0.0017","108.489","0.008","114.188","0.005","103.182","0.009","1328.1","0.5","100","","100","","","","","","","","","11","P -1","-P 1","2","","","","- C21 H30 B Cl2 F4 Fe N2 Ni O2 S Se -","- C21 H29 B Cl2 F4 Fe N2 Ni O2 S Se -","- C42 H58 B2 Cl4 F8 Fe2 N4 Ni2 O4 S2 Se2 -","2","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54184","CuKα","","0.033","0.0306","","","0.0734","0.075","","","","","","1.02","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550188","8.7518","0.0002","21.0078","0.0006","13.1915","0.0004","90","","104.227","0.001","90","","2350.95","0.11","100","","100.02","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 B F4 Fe N2 Ni O S Se -","- C20 H27 B F4 Fe N2 Ni O S Se -","- C80 H108 B4 F16 Fe4 N8 Ni4 O4 S4 Se4 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0535","0.051","","","0.1267","0.1287","","","","","","1.06","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550189","16.309","0.0005","11.4239","0.0004","24.8441","0.0008","90","","90","","90","","4628.8","0.3","100","","100.02","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B F4 Fe N2 Ni O S Se -","- C20 H27 B F4 Fe N2 Ni O S Se -","- C160 H216 B8 F32 Fe8 N16 Ni8 O8 S8 Se8 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.056","0.055","","","0.1969","0.1976","","","","","","1.143","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550190","16.2504","0.0006","11.3127","0.0004","24.8851","0.0008","90","","90","","90","","4574.8","0.3","100","2","99.98","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2 -","- C20 H27 B0.783 Cl0.217 F3.132 Fe N2 Ni O S2 -","- C160 H216 B6.264 Cl1.736 F25.056 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0676","0.0626","","","0.1586","0.1619","","","","","","1.18","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550191","11.6597","0.0007","16.9613","0.0011","12.2584","0.0008","90","","116.63","0.002","90","","2167.1","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C52 H56 Co N5 Ni -","- C52 H56 Co N5 Ni -","- C104 H112 Co2 N10 Ni2 -","2","1","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.0623","0.0595","","","0.1545","0.1575","","","","","","1.07","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550192","28.6944","0.0017","7.3064","0.0005","28.2539","0.0017","90","","113.099","0.002","90","","5448.6","0.6","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C135 H111 N20 Ni4 -","- C135 H111 N20 Ni4 -","- C270 H222 N40 Ni8 -","2","0.5","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.051","0.0378","","","0.071","0.0752","","","","","","1.031","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550193","11.8068","0.0014","13.0124","0.0015","13.3226","0.0015","71.802","0.003","84.699","0.004","79.232","0.004","1908.9","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 N6 Ni O2 -","- C45 H48 N6 Ni O2 -","- C90 H96 N12 Ni2 O4 -","2","1","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.0978","0.0513","","","0.0918","0.1054","","","","","","1.019","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550194","10.8266","0.0007","12.1078","0.0008","12.8979","0.0008","91.267","0.002","114.454","0.002","93.084","0.002","1535.01","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 N6 Ni -","- C37 H31 N6 Ni -","- C74 H62 N12 Ni2 -","2","1","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.0365","0.031","","","0.0737","0.0763","","","","","","1.044","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550195","12.0657","0.0016","23.067","0.003","23.079","0.003","76.493","0.003","81.913","0.003","81.444","0.003","6138.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 N10 Ni2 O -","- C64 H54 N10 Ni2 O -","- C256 H216 N40 Ni8 O4 -","4","2","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","x-ray","0.41328","synchrotron","","0.0866","0.068","","","0.1575","0.168","","","","","","1.094","","","","has coordinates,has disorder","211811","2020-10-21","18:00:00",""
"1550196","11.4046","0.0007","12.5476","0.0008","13.4127","0.0009","93.108","0.002","94.573","0.002","98.46","0.002","1888.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Cl2 Fe7 N52 O8 -","- C32 H48 Cl2 Fe7 N52 O8 -","- C32 H48 Cl2 Fe7 N52 O8 -","1","0.5","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Stamatatos, Theocharis; Dunbar, Kim R.","Rare “Janus”-Faced {FeII7} Single-Molecule Magnet Exhibiting Intramolecular Ferromagnetic Interactions","Chemical Science","2019","","","","","10.1039/C8SC04384A","","x-ray","0.71073","MoKα","","0.06","0.0404","","","0.0833","0.0925","","","","","","1.084","","","","has coordinates,has disorder","211812","2020-10-21","18:00:00",""
"1550202","25.5741","0.0016","26.2813","0.0017","24.8077","0.0018","90","","110.412","0.002","90","","15626.8","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H158 Ag10 N70 O60 -","- C100 H138 Ag10 N68 O44 -","- C400 H552 Ag40 N272 O176 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71073","MoKα","","0.1623","0.0756","","","0.1662","0.216","","","","","","1.016","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550203","21.799","0.0011","22.6096","0.0015","26.0615","0.0017","90","","90","","90","","12844.8","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C80 H112 Ag8 B8 F32 N48 O16 -","- C80 H112 Ag8 B6 F24 N48 O16 -","- C320 H448 Ag32 B24 F96 N192 O64 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71069","MoKα","","0.0516","0.0377","","","0.067","0.0718","","","","","","1.01","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550204","21.9528","0.0019","22.8449","0.0016","26.174","0.002","90","","90","","90","","13126.5","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H112 Ag8 Cl8 N48 O48 -","- C80 H112 Ag8 Cl7 N48 O44 -","- C320 H448 Ag32 Cl28 N192 O176 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71069","MoKα","","0.1115","0.0767","","","0.1857","0.2051","","","","","","1.095","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550206","15.0424","0.0008","9.2398","0.0004","8.5756","0.0005","90","","106.155","0.003","90","","1144.85","0.1","273","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C20 H56 I8 N4 Pb2 -","2","0.5","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.036","0.0314","","","0.0713","0.0724","","","","","","1.27","","","","has coordinates","211871","2020-10-21","18:00:00",""
"1550207","8.9353","0.0002","8.9353","0.0002","24.9636","0.0013","90","","90","","90","","1993.08","0.12","293","2","293","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C8 H26 I4 N2 Pb -","- C8 H26 I4 N2 Pb -","- C32 H104 I16 N8 Pb4 -","4","","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.0627","0.0609","","","0.2229","0.2263","","","","","","1.145","","","","has coordinates,has disorder","211871","2020-10-21","18:00:00",""
"1550208","18.6958","0.0007","8.8497","0.0003","8.8421","0.0003","90","","95.3669","0.0012","90","","1456.53","0.09","273","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 I4 N2 Pb -","- C16 H40 I4 N2 Pb -","- C32 H80 I8 N4 Pb2 -","2","0.5","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.0408","0.0285","","","0.0685","0.0735","","","","","","1.03","","","","has coordinates","211871","2020-10-21","18:00:00",""
"1550209","17.4586","0.0005","9.2513","0.0003","8.5864","0.0003","90","","103.223","0.001","90","","1350.06","0.08","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C28 H72 I8 N4 Pb2 -","2","0.5","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.0283","0.0226","","","0.0594","0.0621","","","","","","1.154","","","","has coordinates","211871","2020-10-21","18:00:00",""
"1550210","5.3887","0.0003","13.7558","0.0008","14.4712","0.0008","90","","91.531","0.003","90","","1072.31","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 B F2 N O4 -","- C25 H22 B F2 N O4 -","- C50 H44 B2 F4 N2 O8 -","2","1","","Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi","Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters","Chemical Science","2019","","","","","10.1039/C8SC04026E","","x-ray","1.54178","CuKα","","0.0303","0.0288","","","0.0718","0.0725","","","","","","1.042","","","","has coordinates","211872","2020-10-21","18:00:00",""
"1550211","10.235","0.002","10.796","0.002","20.224","0.005","92.916","0.007","103.825","0.007","90.9","0.006","2166.2","0.8","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C23 H26 B F2 N O4 -","- C23 H26 B F2 N O4 -","- C92 H104 B4 F8 N4 O16 -","4","4","","Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi","Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters","Chemical Science","2019","","","","","10.1039/C8SC04026E","","","0.71075","MoKα","","0.2796","0.1338","","","0.3003","0.3931","","","","","","0.956","","","","has coordinates","211872","2020-10-21","18:00:00",""
"1550212","19.6381","0.0009","12.631","0.0006","19.6354","0.0009","90","","119.994","0.002","90","","4218.3","0.3","200","2","200","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C69.5 H32 N2 O36 Zr6 -","- C69.4732 H31.9968 N2.0004 O35.9976 Zr5.9994 -","- C69.4732 H31.9968 N2.0004 O35.9976 Zr5.9994 -","1","0.25","","Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K.","Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization","Chemical Science","2019","","","","","10.1039/C8SC04220A","","","1.54178","CuKα","","0.132","0.1254","","","0.3343","0.3384","","","","","","1.166","","","","has coordinates,has disorder","211873","2020-10-21","18:00:00",""
"1550213","39.5745","0.0012","39.5745","0.0012","12.1936","0.0004","90","","90","","120","","16538.4","0.9","200","2","200.07","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C69 H32 Br4 O32 Zr6 -","- C69 H32 Br4 O32 Zr6 -","- C207 H96 Br12 O96 Zr18 -","3","0.125","","Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K.","Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization","Chemical Science","2019","","","","","10.1039/C8SC04220A","","x-ray","0.71073","MoKα","","0.051","0.0445","","","0.1435","0.1492","","","","","","1.076","","","","has coordinates","211873","2020-10-21","18:00:00",""
"1550214","13.4757","0.0015","21.712","0.002","25.061","0.003","95.195","0.003","102.214","0.002","97.097","0.003","7059.9","1.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","holma07","bis(diketiminate-cobalt(II))(mu-oxo)","","- C70 H106 Co2 N4 O -","- C70 H106 Co2 N4 O -","- C280 H424 Co8 N16 O4 -","4","2","","Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.","Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate","Chemical Science","2019","","","","","10.1039/C8SC02599A","","","0.71073","MoKα","","0.1348","0.0745","","","0.1714","0.196","","","","","","0.918","","","","has coordinates,has disorder","211874","2020-10-21","18:00:00",""
"1550215","20.919","0.002","28.234","0.003","24.42","0.003","90","","114.237","0.002","90","","13152","2","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","holma06","bis(diketiminate-cobalt(II))(mu-carbonato)","","- C71 H106 Co2 N4 O3 -","- C71 H106 Co2 N4 O3 -","- C568 H848 Co16 N32 O24 -","8","2","","Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.","Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate","Chemical Science","2019","","","","","10.1039/C8SC02599A","","","0.71073","MoKα","","0.1182","0.0603","","","0.1053","0.126","","","","","","0.973","","","","has coordinates,has disorder","211874","2020-10-21","18:00:00",""
"1550220","6.2744","0.0003","14.5625","0.0009","15.6489","0.0007","90","","90","","90","","1429.85","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.0725","0.0421","","","0.0838","0.0994","","","","","","1.111","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550221","21.9831","0.0015","13.325","0.0011","16.5868","0.0014","90","","112.177","0.002","90","","4499.3","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","2","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.1198","0.0899","","","0.2224","0.2619","","","","","","1.08","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550222","7.5024","0.0014","9.4863","0.0017","15.949","0.003","93.783","0.005","95.871","0.005","109.707","0.005","1056.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N2 O2 -","- C27 H28 N2 O2 -","- C54 H56 N4 O4 -","2","1","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.0505","0.0421","","","0.102","0.1087","","","","","","1.034","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550223","9.3848","0.0005","17.3334","0.0008","12.7967","0.0006","90","","94.091","0.002","90","","2076.34","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N2 O -","- C27 H25 N2 O -","- C108 H100 N8 O4 -","4","1","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.07","0.0481","","","0.1155","0.1274","","","","","","1.02","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550224","17.2292","0.0004","21.1408","0.0004","24.5871","0.0004","90","","92.4269","0.0016","90","","8947.5","0.3","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H140 K4 N4 O8 Si4 -","- C80 H140 K4 N4 O8 Si4 -","- C320 H560 K16 N16 O32 Si16 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","0.71073","MoKα","","0.0642","0.0425","","","0.1008","0.1123","","","","","","1.051","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550225","11.7068","0.0004","13.9065","0.0004","14.2431","0.0004","93.271","0.002","99.115","0.002","95.176","0.002","2274.16","0.12","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H140 K4 N4 O14 Si4 -","- C80 H140 K4 N4 O14 Si4 -","- C80 H140 K4 N4 O14 Si4 -","1","0.5","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0604","0.0463","","","0.1165","0.1262","","","","","","1.001","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550226","18.8952","0.0004","13.1861","0.0002","27.8641","0.0005","90","","100.042","0.0019","90","","6836.1","0.2","119.99","0.1","119.99","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C28 H46 Cl2 In K N2 O Si2 -","- C28 H46 Cl2 In K N2 O Si2 -","- C224 H368 Cl16 In8 K8 N16 O8 Si16 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0277","0.0248","","","0.0648","0.0668","","","","","","1.012","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550227","18.7078","0.0002","13.15883","0.00013","30.1739","0.0004","90","","101.73","0.0012","90","","7272.86","0.15","120","0.1","120","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C31 H49 Cl2 In K N2 O Si2 -","- C31 H49 Cl2 In K N2 O Si2 -","- C248 H392 Cl16 In8 K8 N16 O8 Si16 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0252","0.0248","","","0.0649","0.0652","","","","","","1.073","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550228","10.0422","0.0004","11.962","0.0006","17.7445","0.001","93.171","0.004","96.478","0.004","92.102","0.004","2112.72","0.18","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 K2 N2 O3 Si2 -","- C36 H66 K2 N2 O3 Si2 -","- C72 H132 K4 N4 O6 Si4 -","2","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","0.71073","MoKα","","0.1066","0.0646","","","0.1375","0.1593","","","","","","1.023","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550229","23.2852","0.0003","17.27697","0.00018","36.472","0.0005","90","","108.506","0.0014","90","","13913.9","0.3","120","0.1","120","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C59 H99 In2 K2 N4 O2 Si4 -","- C59 H99 In2 K2 N4 O2 Si4 -","- C472 H792 In16 K16 N32 O16 Si32 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0464","0.0426","","","0.1034","0.1065","","","","","","1.081","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550230","12.5559","0.0004","13.5443","0.0003","18.8336","0.0004","75.5576","0.0018","81.034","0.002","80.79","0.002","3039.06","0.14","119.99","0.1","119.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H93 In K N5 O7 Si2 -","- C55 H93 In K N5 O7 Si2 -","- C110 H186 In2 K2 N10 O14 Si4 -","2","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0322","0.0302","","","0.0756","0.077","","","","","","1.012","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550231","23.6145","0.0004","17.0543","0.0003","25.7456","0.0004","90","","97.4553","0.0014","90","","10280.8","0.3","119.99","0.1","119.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H146 In2 K2 N6 O2 Si4 -","- C102 H146 In2 K2 N6 O2 Si4 -","- C408 H584 In8 K8 N24 O8 Si16 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0511","0.0374","","","0.0877","0.095","","","","","","1.009","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550232","12.6009","0.00007","25.6091","0.00015","19.60255","0.00011","90","","91.8549","0.0005","90","","6322.38","0.06","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H87 In K N3 O Si2 -","- C71 H87 In K N3 O Si2 -","- C284 H348 In4 K4 N12 O4 Si8 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0276","0.0263","","","0.0647","0.0655","","","","","","1","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550233","14.16789","0.00017","26.894","0.0003","19.8817","0.0002","90","","103.597","0.0011","90","","7363.24","0.15","120.02","0.1","120.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H108 In K N6 O7 Si2 -","- C72 H108 In K N6 O7 Si2 -","- C288 H432 In4 K4 N24 O28 Si8 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0371","0.0355","","","0.0857","0.0866","","","","","","1.126","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550234","17.0589","0.0004","18.1114","0.0006","18.1867","0.0004","69.847","0.002","89.715","0.002","79.713","0.002","5180.4","0.3","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C94 H148 In2 K2 N12 O2 Si6 -","- C80 H132 In2 K2 N12 O2 Si6 -","- C160 H264 In4 K4 N24 O4 Si12 -","2","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.093","0.0765","","","0.1973","0.208","","","","","","1.058","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550235","31.129","0.0008","12.5964","0.0003","30.835","0.0012","90","","102.941","0.003","90","","11783.7","0.6","119.97","0.11","119.97","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H168 In2 K2 N12 O2 Si4 -","- C120 H168 In2 K2 N12 O2 Si4 -","- C480 H672 In8 K8 N48 O8 Si16 -","4","0.5","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","0.71073","MoKα","","0.0984","0.0705","","","0.1175","0.1263","","","","","","1.174","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550238","8.2597","0.0003","10.958","0.0005","12.6335","0.0006","66.777","0.005","75.242","0.004","70.583","0.004","980.91","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl2 N2 Ru -","- C20 H24 Cl2 N2 Ru -","- C40 H48 Cl4 N4 Ru2 -","2","1","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0343","0.0285","","","0.0636","0.0661","","","","","","1.033","","","","has coordinates","211982","2020-10-21","18:00:00",""
"1550239","9.3201","0.0004","15.1082","0.0007","17.7752","0.0009","110.273","0.0015","96.128","0.0015","106.322","0.0015","2194.55","0.18","101","","101.2","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","1","0.5","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0321","0.0276","","","0.0641","0.0687","","","","","","1.084","","","","has coordinates,has disorder","211982","2020-10-21","18:00:00",""
"1550240","13.4659","0.001","14.5842","0.0012","17.9402","0.0014","83.467","0.003","80.563","0.002","79.39","0.003","3403.4","0.5","109","2","108.8","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N2 Ru2 -","- C42 H40 N2 Ru2 -","- C168 H160 N8 Ru8 -","4","2","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0377","0.0255","","","0.0538","0.0578","","","","","","1.029","","","","has coordinates","211982","2020-10-21","18:00:00",""
"1550241","13.8109","0.0008","28.5059","0.0014","19.585","0.001","90","","91.4431","0.0019","90","","7708","0.7","102","","101.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H107.92 K2 N2 O16 Ru2 -","- C76 H107.934 K2 N2 O16 Ru2 -","- C304 H431.736 K8 N8 O64 Ru8 -","4","1","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0613","0.0529","","","0.1375","0.1447","","","","","","1.08","","","","has coordinates,has disorder","211982","2020-10-21","18:00:00",""
"1550242","21.316","0.004","29.316","0.006","12.6238","0.0019","90","","90","","90","","7889","2","109","2","108.9","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[3-H(OTf)]","","- C42.94 H37 F3 N2 O4.5 Ru2 S -","- C42.9405 H37 F3 N2 O4.5 Ru2 S -","- C343.524 H296 F24 N16 O36 Ru16 S8 -","8","2","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0252","0.0221","","","0.0495","0.0509","","","","","","1.0574","","","","has coordinates,has disorder","211982","2020-10-21","18:00:00",""
"1550250","19.45","0.002","33.881","0.004","34.509","0.004","90","","103.592","0.005","90","","22104","4","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","C3 cyclo-tris-[5]helicene","","- C252 H264 O48 -","- C234 H228 O48 -","- C936 H912 O192 -","4","1","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1603","0.1449","","","0.3497","0.3592","","","","","","1.136","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1550251","15.6031","0.0009","23.6859","0.0013","26.9809","0.0015","84.266","0.002","75.642","0.003","75.481","0.003","9343.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C104.5 H86.5 Cl7.5 O24 -","- C104 H86 Cl6 O24 -","- C416 H344 Cl24 O96 -","4","2","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1392","0.1155","","","0.2976","0.3148","","","","","","1.07","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1550252","14.1628","0.0005","14.0547","0.0005","19.8443","0.0007","90","","110.832","0.002","90","","3691.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrabutylammonium hydroselenide","","- C16 H37 N Se -","- C16 H37 N Se -","- C128 H296 N8 Se8 -","8","1","","Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.","Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion","Chemical Science","2019","","","","","10.1039/C8SC03968B","","","1.54178","CuKα","","0.0722","0.0442","","","0.1118","0.1312","","","","","","1.025","","","","has coordinates","212048","2020-10-21","18:00:00",""
"1550253","13.8015","0.0007","18.0488","0.0009","18.1383","0.0009","103.008","0.003","102.996","0.003","105.924","0.003","4030.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 F18 N4 O3 -","- C33 H24 F18 N4 O3 -","- C132 H96 F72 N16 O12 -","4","2","","Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.","Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion","Chemical Science","2019","","","","","10.1039/C8SC03968B","","","1.54178","CuKα","","0.0899","0.0656","","","0.1674","0.1761","","","","","","1.047","","","","has coordinates","212048","2020-10-21","18:00:00",""
"1550254","9.5547","0.0004","30.3155","0.0013","26.1228","0.001","90","","90.476","0.002","90","","7566.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H111 N5 O6 Se -","- C70 H100 N5 O5 Se -","- C280 H400 N20 O20 Se4 -","4","1","","Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.","Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion","Chemical Science","2019","","","","","10.1039/C8SC03968B","","","1.54178","CuKα","","0.1124","0.0921","","","0.2381","0.2492","","","","","","1.05","","","","has coordinates,has disorder","212048","2020-10-21","18:00:00",""
"1550255","22.1499","0.0009","7.8915","0.0002","17.5288","0.0006","90","","111.175","0.004","90","","2857.09","0.19","149.9","0.3","149.9","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H21 B N2 O2 -","- C14 H21 B N2 O2 -","- C112 H168 B8 N16 O16 -","8","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","0.71073","MoKα","","0.0586","0.0476","","","0.1164","0.1227","","","","","","1.071","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550256","6.6119","0.0002","12.8257","0.0002","7.7086","0.0002","90","","111.978","0.003","90","","606.2","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H19 B N2 O2 -","- C10 H19 B N2 O2 -","- C20 H38 B2 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0383","0.0359","","","0.0941","0.0958","","","","","","1.072","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550257","9.1072","0.0001","15.5083","0.0002","9.6094","0.0001","90","","95.872","0.001","90","","1350.08","0.03","149.9","0.2","149.9","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 B N2 O2 -","- C30 H41 B N2 O2 -","- C60 H82 B2 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0299","0.0284","","","0.0704","0.0712","","","","","","1.018","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550258","6.6658","0.0008","13.0852","0.001","7.7113","0.0008","90","","112.529","0.013","90","","621.28","0.12","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 B F2 N2 O2 -","- C10 H17 B F2 N2 O2 -","- C20 H34 B2 F4 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0649","0.0645","","","0.171","0.1715","","","","","","1.079","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550259","8.6843","0.0003","10.1231","0.0002","12.0573","0.0003","90","","100.885","0.003","90","","1040.91","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B N2 O2 -","- C9 H15 B N2 O2 -","- C36 H60 B4 N8 O8 -","4","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0614","0.0583","","","0.1531","0.1562","","","","","","1.116","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550260","11.9618","0.0003","13.0959","0.0003","15.6088","0.0003","90","","90","","90","","2445.13","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 B N2 O2 -","- C24 H37 B N2 O2 -","- C96 H148 B4 N8 O8 -","4","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.048","0.0436","","","0.1232","0.1275","","","","","","1.072","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550261","24.83","0.004","16.876","0.002","31.391","0.004","90","","98.121","0.008","90","","13022","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","car21","car21","","- C92 H168 Na O43 Ti8 -","- C92 H168 Na O43 Ti8 -","- C368 H672 Na4 O172 Ti32 -","4","1","","Saouma, Caroline T.; Tsou, Chih-Chin; Richard, Sarah; Ameloot, Rob; Vermoortele, Frederik; Smolders, Simon; Bueken, Bart; Valdez, Carolyn; DiPasquale, Antonio; Kaminsky, Werner; De Vos, Dirk; Mayer, James M.","Sodium-Coupled Electron Transfer Reactivity of Metal-Organic Frameworks Containing Titanium Clusters: The Importance of Cations in Redox Chemistry","Chemical Science","2019","","","","","10.1039/C8SC04138E","","","0.71073","MoKα","","0.1232","0.0633","","","0.1425","0.1827","","","","","","1.077","","","","has coordinates,has disorder","212050","2020-10-21","18:00:00",""
"1550262","19.6778","0.0008","19.6778","0.0008","38.0292","0.0019","90","","90","","90","","14725.5","1.1","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","CAR4128A","mayer27","","- C124 H210 Co N12 O40 Ti8 -","- C80 H144 O40 Ti8 -","- C320 H576 O160 Ti32 -","4","","","Saouma, Caroline T.; Tsou, Chih-Chin; Richard, Sarah; Ameloot, Rob; Vermoortele, Frederik; Smolders, Simon; Bueken, Bart; Valdez, Carolyn; DiPasquale, Antonio; Kaminsky, Werner; De Vos, Dirk; Mayer, James M.","Sodium-Coupled Electron Transfer Reactivity of Metal-Organic Frameworks Containing Titanium Clusters: The Importance of Cations in Redox Chemistry","Chemical Science","2019","","","","","10.1039/C8SC04138E","","","0.71073","MoKα","","0.1693","0.1257","","","0.3411","0.367","","","","","","1.074","","","","has coordinates","212050","2020-10-21","18:00:00",""
"1550263","16.011","0.003","17.232","0.003","19.864","0.003","68.468","0.015","77.568","0.014","82.152","0.013","4968.5","1.6","99.8","0.5","99.8","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C123 H135 F3 N4 O10 -","- C123 H135 F3 N4 O10 -","- C246 H270 F6 N8 O20 -","2","1","","Milton, Margarita; Schuster, Nathaniel J.; Paley, Daniel W.; Hernández Sánchez, Raúl; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Defying strain in the synthesis of an electroactive bilayer helicene","Chemical Science","2019","","","","","10.1039/C8SC04216K","","x-ray","1.54184","CuKα","","0.1781","0.096","","","0.2316","0.2985","","","","","","1.019","","","","has coordinates,has disorder","212078","2020-10-21","18:00:00",""
"1550264","15.2191","0.0005","16.2207","0.0006","19.6692","0.0008","75.736","0.003","74.285","0.003","76.47","0.003","4456.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C113 H118 N4 O9 -","- C113 H118 N4 O9 -","- C226 H236 N8 O18 -","2","1","","Milton, Margarita; Schuster, Nathaniel J.; Paley, Daniel W.; Hernández Sánchez, Raúl; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Defying strain in the synthesis of an electroactive bilayer helicene","Chemical Science","2019","","","","","10.1039/C8SC04216K","","x-ray","1.54184","CuKα","","0.1349","0.0947","","","0.2589","0.3043","","","","","","1.047","","","","has coordinates,has disorder","212078","2020-10-21","18:00:00",""
"1550266","38.452","0.0007","38.452","0.0007","38.452","0.0007","90","","90","","90","","56853.4","1.8","100","2","100","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C72 H36 Cu1.5 N6 O26 Zr6 -","- C72 H36 Cu1.5 N6 O26 Zr6 -","- C576 H288 Cu12 N48 O208 Zr48 -","8","0.0833333","","Yu, Chung Jui; Krzyaniak, Matthew D.; Fataftah, Majed S.; Wasielewski, Michael R.; Freedman, Danna","A Concentrated Array of Copper Porphyrin Candidate Qubits","Chemical Science","2019","","","","","10.1039/C8SC04435J","","","1.54178","CuKα","","0.122","0.1075","","","0.3322","0.3549","","","","","","1.487","","","","has coordinates","212090","2020-10-21","18:00:00",""
"1550271","11.913","0.005","13.949","0.005","15.859","0.006","81.424","0.004","72.882","0.004","79.945","0.004","2466.5","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 Au O4 P S4 -","- C56 H48 Au O4 P S4 -","- C112 H96 Au2 O8 P2 S8 -","2","1","","McGuire, Jake; Miras, Haralampos; Richards, Emma; Sproules, Stephen","Enabling Single Qubit Addressability in a Molecular Semiconductor Comprising Gold-Supported Organic Radicals","Chemical Science","2019","","","","","10.1039/C8SC04500C","","","0.71073","MoKα","","0.0163","0.0151","","","0.0427","0.0495","","","","","","1.169","","","","has coordinates","212120","2020-10-21","18:00:00",""
"1550272","11.584","0.004","15.448","0.005","9.441","0.003","90","","102.511","0.002","90","","1649.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Au Cl2 O4 S4 -","- C33 H28 Au Cl2 O4 S4 -","- C66 H56 Au2 Cl4 O8 S8 -","2","0.5","","McGuire, Jake; Miras, Haralampos; Richards, Emma; Sproules, Stephen","Enabling Single Qubit Addressability in a Molecular Semiconductor Comprising Gold-Supported Organic Radicals","Chemical Science","2019","","","","","10.1039/C8SC04500C","","","0.71073","MoKα","","0.0202","0.0187","","","0.0453","0.0463","","","","","","1.062","","","","has coordinates","212120","2020-10-21","18:00:00",""
"1550281","12.4386","0.0003","19.8125","0.0005","23.4119","0.0006","67.1494","0.0013","86.3179","0.0012","85.5446","0.0012","5297.1","0.2","230","","230","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H39 B F24 Fe N O3 P2 -","- C46 H39 B F24 Fe N O3 P2 -","- C184 H156 B4 F96 Fe4 N4 O12 P8 -","4","2","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0676","0.0427","","","0.1149","0.1258","","","","","","1.075","","","","has coordinates,has disorder","212163","2020-10-21","18:00:00",""
"1550282","16.081","0.002","11.2301","0.0014","15.4862","0.0019","90","","106.408","0.003","90","","2682.8","0.6","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 F6 Fe N O9 P2 S2 -","- C16 H29 F6 Fe N O9 P2 S2 -","- C64 H116 F24 Fe4 N4 O36 P8 S8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0354","0.0304","","","0.0724","0.0744","","","","","","1.146","","","","has coordinates","212164","2020-10-21","18:00:00",""
"1550283","10.343","0.002","23.935","0.008","16.484","0.003","90","","96.014","0.006","90","","4058.3","1.7","273","2","273.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 B F20 Fe N O3 P2 -","- C38 H28 B F20 Fe N O3 P2 -","- C152 H112 B4 F80 Fe4 N4 O12 P8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0665","0.0386","","","0.0754","0.0835","","","","","","1.037","","","","has coordinates","212165","2020-10-21","18:00:00",""
"1550284","14.7564","0.0009","10.0345","0.0007","15.8101","0.0014","90","","117.783","0.002","90","","2071.2","0.3","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B F4 Fe N O3 P2 -","- C14 H28 B F4 Fe N O3 P2 -","- C56 H112 B4 F16 Fe4 N4 O12 P8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0519","0.0382","","","0.0769","0.0818","","","","","","1.028","","","","has coordinates,has disorder","212166","2020-10-21","18:00:00",""
"1550285","12.6009","0.0008","10.8786","0.0007","14.531","0.0009","90","","109.196","0.0016","90","","1881.2","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Fe N O3 P2 -","- C14 H27 Fe N O3 P2 -","- C56 H108 Fe4 N4 O12 P8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0223","0.0189","","","0.0481","0.0504","","","","","","0.947","","","","has coordinates","212167","2020-10-21","18:00:00",""
"1550286","9.893","0.003","10.456","0.004","12.269","0.004","98.65","0.011","111.652","0.009","95.223","0.011","1151.2","0.7","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H28 F3 Fe N O6 P2 S -","- C15 H28 F3 Fe N O6 P2 S -","- C30 H56 F6 Fe2 N2 O12 P4 S2 -","2","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0407","0.0298","","","0.0679","0.0723","","","","","","1.042","","","","has coordinates","212168","2020-10-21","18:00:00",""
"1550293","11.964","0.013","20.02","0.02","7.423","0.011","90","","90.11","0.04","90","","1778","4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H17 Br N2 Ni O -","- C20 H17 Br N2 Ni O -","- C80 H68 Br4 N8 Ni4 O4 -","4","1","","Ueda, Yohei; Tsujimoto, Nagataka; Yurino, Taiga; Tsurugi, Hayato; Mashima, Kazushi","Nickel-catalyzed Cyanation of Aryl Halides and Triflates Using Acetonitrile via the C—CN Bond Cleavage Assisted by 1,4-Bis(trimethylsilyl)-2,3,5,6-tetramethyl-1,4-dihydropyrazine","Chemical Science","2019","","","","","10.1039/C8SC04437F","","","0.71075","MoKα","","0.1249","0.0728","","","0.162","0.1807","","","","","","0.921","","","","has coordinates","212185","2020-10-21","18:00:00",""
"1550296","8.489","0.003","12.387","0.007","17.4","0.006","98.386","0.018","100.888","0.015","91.61","0.03","1774.6","1.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H37 B N2 -","- C43 H37 B N2 -","- C86 H74 B2 N4 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1322","0.0767","","","0.1875","0.208","","","","","","1.059","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550297","9.741","0.004","13.927","0.005","15.334","0.006","63.989","0.011","89.736","0.013","69.795","0.012","1727.7","1.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 B N2 S -","- C45 H37 B N2 S -","- C90 H74 B2 N4 S2 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1403","0.065","","","0.1326","0.1594","","","","","","1.022","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550298","22.13","0.04","17.76","0.03","19.24","0.03","90","","106.15","0.06","90","","7263","2","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47.5 H40.5 B Cl N2 -","- C47.5 H40.5 B Cl N2 -","- C380 H324 B8 Cl8 N16 -","8","2","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2104","0.1236","","","0.3025","0.3516","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550299","9.296","0.006","18.788","0.01","19.886","0.011","111.16","0.02","90.63","0.02","97.62","0.02","3204","3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H37 B N2 -","- C43 H37 B N2 -","- C172 H148 B4 N8 -","4","2","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1357","0.0724","","","0.1592","0.1855","","","","","","1.022","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550300","11.145","0.01","12.992","0.013","14.196","0.013","64.16","0.03","75.45","0.03","73.97","0.03","1758","3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 B N2 S -","- C45 H37 B N2 S -","- C90 H74 B2 N4 S2 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1388","0.0651","","","0.1416","0.1681","","","","","","1.039","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550301","10.4774","0.0015","12.5886","0.0017","16.437","0.003","71.344","0.004","87.354","0.006","71.435","0.005","1943.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 Ag6 S6 -","- C24 H54 Ag6 S6 -","- C48 H108 Ag12 S12 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.0503","0.0348","","","0.0785","0.0924","","","","","","1.006","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550302","13.873","0.019","16.28","0.02","17.74","0.03","86.66","0.04","80.14","0.04","72.27","0.04","3760","9","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C6.96 H5.78 B0.15 N0.3 -","- C6.96296 H5.77778 B0.148148 N0.296296 -","- C188 H156 B4 N8 -","27","13.5","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2272","0.0807","","","0.1706","0.2107","","","","","","0.853","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550303","13.384","0.003","12.918","0.003","22.321","0.007","90","","125.5","0.02","90","","3141.8","1.6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 B N2 S -","- C41 H35 B N2 S -","- C164 H140 B4 N8 S4 -","4","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.0922","0.0507","","","0.1088","0.1251","","","","","","1.042","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550304","8.1887","0.0014","13.353","0.002","15.493","0.002","81.008","0.006","83.598","0.006","78.061","0.006","1631.5","0.4","179","2","179","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 B N2 -","- C43 H37 B N2 -","- C86 H74 B2 N4 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2006","0.1223","","","0.2965","0.3284","","","","","","1.068","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550305","9.196","0.003","14.091","0.004","14.197","0.004","74.441","0.009","87.034","0.009","75.138","0.008","1712.7","0.9","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H37 B N2 -","- C43 H37 B N2 -","- C86 H74 B2 N4 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2364","0.0939","","","0.1719","0.2128","","","","","","0.912","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550306","11.2461","0.0003","23.0691","0.0006","15.3687","0.0003","90","","98.7643","0.0019","90","","3940.66","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H59 B N2 -","- C47 H59 B N2 -","- C188 H236 B4 N8 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","x-ray","0.71073","MoKα","","0.068","0.0494","","","0.113","0.1251","","","","","","1.073","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550307","12.6081","0.0005","14.3388","0.0006","22.0714","0.0007","90","","98.028","0.004","90","","3951.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 B N2 O5 -","- C43 H52 B N2 O5 -","- C172 H208 B4 N8 O20 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","x-ray","0.71073","MoKα","","0.0766","0.0527","","","0.1123","0.122","","","","","","1.065","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550308","19.3779","0.0019","14.5134","0.0016","13.085","0.002","90","","90","","90","","3680","0.8","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H47.5 B0.5 N2 O4.5 -","- C40 H47.5 B0.5 N2 O4.5 -","- C160 H190 B2 N8 O18 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","x-ray","0.71073","MoKα","","0.0944","0.0845","","","0.2081","0.2179","","","","","","1.0616","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550309","18.4291","0.0007","13.1243","0.0004","14.5076","0.0006","90","","90","","90","","3508.9","0.2","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H47 Cl N2 O -","- C39 H47 Cl N2 O -","- C156 H188 Cl4 N8 O4 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","","0.71073","MoKα","","0.075","0.0463","","","0.1061","0.1208","","","","","","1.013","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550318","8.295","0.0006","10.3193","0.0006","23.1847","0.0014","84.114","0.005","82.677","0.005","80.838","0.006","1936.4","0.2","122.96","0.18","122.96","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C39 H49 Co N2 P5 -","- C39 H49 Co N2 P5 -","- C78 H98 Co2 N4 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0902","0.0793","","","0.2044","0.2164","","","","","","1.018","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550319","11.5086","0.0006","12.6623","0.0006","16.1055","0.0008","71.013","0.004","69.473","0.005","70.661","0.004","2014.97","0.19","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H53 Co N2 P5 -","- C41 H53 Co N2 P5 -","- C82 H106 Co2 N4 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0563","0.0544","","","0.1467","0.1501","","","","","","1.026","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550320","11.0975","0.0004","12.9085","0.0008","16.7384","0.0009","68.191","0.005","88.775","0.004","72.802","0.004","2116.1","0.2","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","[MesBIANCoP5Cy2]","","- C45 H57 Co N2 P5 -","- C45 H57 Co N2 P5 -","- C90 H114 Co2 N4 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0601","0.0492","","","0.1129","0.117","","","","","","1.087","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550321","13.84854","0.00012","21.0014","0.0002","27.3815","0.0003","90","","90","","90","","7963.6","0.13","123","1","123","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C77 H111 Co Ga K N4 O6 P4 -","- C77 H111 Co Ga K N4 O6 P4 -","- C308 H444 Co4 Ga4 K4 N16 O24 P16 -","4","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0361","0.0339","","","0.0912","0.093","","","","","","1.033","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550322","12.5761","0.0004","16.9742","0.0004","17.4872","0.0004","97.67","0.002","101.165","0.002","94.952","0.002","3605.33","0.17","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C69 H89.27 Co Ga N4 O P5 -","- C69 H90.16 Co Ga N4 O P5 -","- C138 H180.32 Co2 Ga2 N8 O2 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0667","0.0647","","","0.1798","0.1832","","","","","","1.048","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550323","12.0909","0.0007","12.7157","0.0007","21.8419","0.0009","99.628","0.004","94.661","0.004","102.632","0.005","3206.3","0.3","295.99","0.1","295.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 Co Ga N4 P5 -","- C68 H90 Co Ga N4 P5 -","- C136 H180 Co2 Ga2 N8 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.09","0.0803","","","0.2163","0.2323","","","","","","1.04","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550324","15.3646","0.0003","25.7695","0.0005","27.6375","0.0004","105.439","0.0015","90.5348","0.0015","90.8565","0.0017","10545.7","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H80 Co K N2 O8 -","- C54 H80 Co K N2 O8 -","- C432 H640 Co8 K8 N16 O64 -","8","4","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0997","0.071","","","0.1778","0.1999","","","","","","1.01","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550325","15.4512","0.0003","16.1163","0.0004","16.5636","0.0003","94.7947","0.0016","103.148","0.0016","98.1715","0.0018","3946.85","0.15","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C67 H89 Co Ga K N4 O4 P4 -","- C67 H89 Co Ga K N4 O4 P4 -","- C134 H178 Co2 Ga2 K2 N8 O8 P8 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0395","0.038","","","0.1075","0.1089","","","","","","1.036","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550326","12.0763","0.0007","12.7169","0.0007","21.8615","0.0009","99.614","0.004","94.655","0.004","102.639","0.004","3205.7","0.3","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 Co Ga N4 P5 -","- C68 H90 Co Ga N4 P5 -","- C136 H180 Co2 Ga2 N8 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0804","0.0717","","","0.1887","0.2019","","","","","","1.04","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550327","11.8741","0.0003","12.4783","0.0003","24.9702","0.0006","89.008","0.002","77.087","0.002","78.673","0.002","3534.62","0.15","123.01","0.1","123.01","0.1","","","","","","","","8","P -1","-P 1","2","","[(MesBIAN)Co(? η4:η1 P5tBu)GaCl(nacnac)]","","- C75 H88 Cl Co F2 Ga N4 P5 -","- C75 H88 Cl Co F2 Ga N4 P5 -","- C150 H176 Cl2 Co2 F4 Ga2 N8 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0461","0.0444","","","0.1162","0.1179","","","","","","1.037","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550328","16.9747","0.0003","12.0886","0.0002","21.1714","0.0004","90","","103.859","0.002","90","","4217.91","0.13","279","2","279","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 F6 Ir N2 P3 -","- C47 H38 F6 Ir N2 P3 -","- C188 H152 F24 Ir4 N8 P12 -","4","1","","Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan","Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging","Chemical Science","2019","","","","","10.1039/C8SC04242J","","","0.71073","MoKα","","0.0368","0.0286","","","0.0618","0.0651","","","","","","1.048","","","","has coordinates","212361","2020-10-21","18:00:00",""
"1550329","10.539","0.0002","19.2351","0.0003","10.9341","0.0002","90","","104.941","0.002","90","","2141.61","0.07","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H38 F6 Ir N2 O2 P3 -","- C49 H38 F6 Ir N2 O2 P3 -","- C98 H76 F12 Ir2 N4 O4 P6 -","2","1","","Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan","Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging","Chemical Science","2019","","","","","10.1039/C8SC04242J","","","0.71073","MoKα","","0.0407","0.0366","","","0.0812","0.0821","","","","","","1.024","","","","has coordinates","212361","2020-10-21","18:00:00",""
"1550330","17.4083","0.0005","13.0416","0.0003","20.5524","0.0005","90","","108.427","0.003","90","","4426.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 F6 Ir N2 O2 P3 -","- C50 H38 F6 Ir N2 O2 P3 -","- C200 H152 F24 Ir4 N8 O8 P12 -","4","1","","Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan","Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging","Chemical Science","2019","","","","","10.1039/C8SC04242J","","","0.71073","MoKα","","0.052","0.0351","","","0.0673","0.0727","","","","","","1.112","","","","has coordinates","212361","2020-10-21","18:00:00",""
"1550331","5.478","0.002","9.837","0.002","25.781","0.005","90","","90","","90","","1389.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O2 -","- C16 H18 N O2 -","- C64 H72 N4 O8 -","4","1","","Yao, Kun; Yuan, Qianjia; Qu, Xingxin; Liu, Yangang; Liu, Delong; Zhang, Wanbin","Pd-Catalyzed asymmetric allylic substitution cascade using α-(pyridin-1-yl)-acetamides formed in situ as nucleophiles","Chemical Science","2019","","","","","10.1039/C8SC04626C","","","1.54178","CuKα","","0.0523","0.047","","","0.1419","0.1468","","","","","","1.163","","","","has coordinates","212362","2020-10-21","18:00:00",""
"1550339","12.3462","0.0002","12.3462","0.0002","48.9067","0.0009","90","","90","","90","","7454.8","0.2","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C34 H28 F12 Fe N8 P2 -","- C34 H28 F12 Fe N8 P2 -","- C272 H224 F96 Fe8 N64 P16 -","8","2","","Carey, Monica C.; Adelman, Sara L.; McCusker, James K.","Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy","Chemical Science","2019","","","","","10.1039/C8SC04025G","","","1.54178","CuKα","","0.0607","0.0487","","","0.1081","0.1141","","","","","","0.979","","","","has coordinates","212509","2020-10-21","18:00:00",""
"1550340","8.6648","0.0002","14.3856","0.0003","17.4683","0.0004","83.227","0.002","85.655","0.002","82.022","0.002","2137.36","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H45 F12 Fe N6 O P2 -","- C40 H45 F12 Fe N6 O P2 -","- C80 H90 F24 Fe2 N12 O2 P4 -","2","1","","Carey, Monica C.; Adelman, Sara L.; McCusker, James K.","Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy","Chemical Science","2019","","","","","10.1039/C8SC04025G","","","1.54178","CuKα","","0.1102","0.0625","","","0.141","0.1643","","","","","","1.02","","","","has coordinates","212509","2020-10-21","18:00:00",""
"1550343","6.9216","0.0002","59.8833","0.0015","7.8371","0.0004","90","","94.192","0.003","90","","3239.7","0.2","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 I N2 O -","- C35 H47 I N2 O -","- C140 H188 I4 N8 O4 -","4","1","","Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong","Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking","Chemical Science","2019","","","","","10.1039/C8SC05119D","","x-ray","1.54184","CuKα","","0.13","0.1135","","","0.2674","0.2764","","","","","","1.129","","","","has coordinates,has disorder","212536","2020-10-21","18:00:00",""
"1550344","10.5322","0.0002","16.7869","0.0004","43.8778","0.0008","90","","90.202","0.002","90","","7757.7","0.3","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 I N2 -","- C27 H37 I N2 -","- C324 H444 I12 N24 -","12","3","","Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong","Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking","Chemical Science","2019","","","","","10.1039/C8SC05119D","","x-ray","1.54184","CuKα","","0.0539","0.0434","","","0.1056","0.1182","","","","","","0.905","","","","has coordinates","212536","2020-10-21","18:00:00",""
"1550345","15.8691","0.0003","12.5093","0.0003","15.8466","0.0004","90","","90","","90","","3145.73","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H23 B2 Cl9 N4 O2 -","- C23 H23 B2 Cl9 N4 O2 -","- C92 H92 B8 Cl36 N16 O8 -","4","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","0.71073","MoKα","","0.1017","0.0556","","","0.0842","0.1032","","","","","","1.037","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550346","11.1827","0.0002","13.5841","0.0002","13.7474","0.0002","83.0226","0.0011","81.9334","0.001","86.2235","0.0011","2049.82","0.06","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 B4 Cl2 N8 O2 -","- C42 H44 B4 Cl2 N8 O2 -","- C84 H88 B8 Cl4 N16 O4 -","2","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","1.54178","CuKα","","0.0886","0.0713","","","0.1888","0.2087","","","","","","1.049","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550347","7.0474","0.0003","10.652","0.0004","22.2574","0.0009","90","","90.2535","0.0008","90","","1670.82","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 B2 N2 O3 -","- C16 H22 B2 N2 O3 -","- C64 H88 B8 N8 O12 -","4","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","1.54178","CuKα","","0.0559","0.0537","","","0.1327","0.1342","","","","","","1.073","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550348","8.1816","0.0005","26.3954","0.0016","17.138","0.0011","90","","99.443","0.004","90","","3650.9","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 B2 N6 O2 -","- C38 H56 B2 N6 O2 -","- C152 H224 B8 N24 O8 -","4","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","1.54178","CuKα","","0.1066","0.081","","","0.2053","0.2208","","","","","","1.086","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550357","11.7327","0.001","13.5801","0.0012","14.5983","0.0012","71.026","0.004","88.785","0.004","77.839","0.004","2147.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H66 Dy2 F42 N4 O12 -","- C68 H66 Dy2 F40 N4 O12 -","- C68 H66 Dy2 F40 N4 O12 -","1","0.5","","Perfetti, Mauro; Gysler, Maren; Rechkemmer, Yvonne; Zhang, Peng; Tastan, Hatice; Fischer, Florian; Netz, Julia; Frey, Wolfgang; Zimmermann, Lucas; Schleid, Thomas; Hakl, Michael; Orlita, Milan; Ungur, Liviu; Chibotaru, Liviu; Brock-Nannestad, Theis; Piligkos, Stergios; van Slageren, Joris","Determination of the electronic structure of a dinuclear dysprosium single molecule magnet without symmetry idealization","Chemical Science","2019","","","","","10.1039/C8SC03170C","","","0.71073","MoKα","","0.0933","0.0743","","","0.2154","0.234","","","","","","1.093","","","","has coordinates,has disorder","212558","2020-10-21","18:00:00",""
"1550358","11.0189","0.0007","13.6198","0.0009","19.9453","0.0013","107.462","0.002","94.429","0.001","102.769","0.001","2751.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Cl6 N8 O3 -","- C56 H56 Cl6 N8 O3 -","- C112 H112 Cl12 N16 O6 -","2","1","","Kołodziejski, Michał; Stefankiewicz, Artur R.; Lehn, Jean-Marie","Dynamic polyimine macrobicyclic cryptands ‒ self-sorting with component selection","Chemical Science","2019","","","","","10.1039/C8SC04598D","","","0.71073","MoKα","","0.1493","0.0702","","","0.1433","0.1792","","","","","","1.005","","","","has coordinates","212559","2020-10-21","18:00:00",""
"1550359","13.0425","0.001","13.288","0.001","19.2843","0.0015","98.778","0.002","100.254","0.002","118.655","0.002","2774.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H56 Cl6 N8 -","- C56 H56 Cl6 N8 -","- C112 H112 Cl12 N16 -","2","1","","Kołodziejski, Michał; Stefankiewicz, Artur R.; Lehn, Jean-Marie","Dynamic polyimine macrobicyclic cryptands ‒ self-sorting with component selection","Chemical Science","2019","","","","","10.1039/C8SC04598D","","","0.71073","MoKα","","0.1376","0.078","","","0.2118","0.24","","","","","","1.043","","","","has coordinates","212559","2020-10-21","18:00:00",""
"1550361","13.6678","0.0011","15.9682","0.0016","22.901","0.002","85.095","0.005","74.096","0.006","76.589","0.006","4674.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H81 Cl N8 S3 -","- C37 H81 Cl N8 S3 -","- C148 H324 Cl4 N32 S12 -","4","2","","Spooner, Michael J.; Li, Hongyu; Marques, Igor; Costa, Pedro M. R.; Wu, Xin; Howe, Ethan N. W.; Busschaert, Nathalie; Moore, Stephen J.; Light, Mark E.; Sheppard, David N.; Félix, Vítor; Gale, Philip A.","Fluorinated synthetic anion carriers: experimental and computational insights into transmembrane chloride transport","Chemical Science","2019","","","","","10.1039/C8SC05155K","","","0.71073","MoKα","","0.2553","0.151","","","0.2726","0.331","","","","","","1.065","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1550366","24.606","0.005","18.08","0.004","22.351","0.005","90","","101.478","0.002","90","","9745","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C2(27)-C88 Ni(OEP)","Eu@C2(27)-C88 Ni(OEP)","","- C308 H156 Eu2 N12 Ni3 -","- C307.627 H155.999 Eu2.0002 N12 Ni3 -","- C615.253 H311.998 Eu4.0004 N24 Ni6 -","2","0.25","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.126","0.1069","","","0.2813","0.3042","","","","","","1.029","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550367","24.307","0.005","18.191","0.005","22.087","0.006","90","","100.995","0.003","90","","9587","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C1(7)-C86 Ni(OEP)","Eu@C1(7)-C86 Ni(OEP)","","- C280 H132 Eu2 N12 Ni3 -","- C280 H132 Eu2 N12 Ni3 -","- C560 H264 Eu4 N24 Ni6 -","2","0.25","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.1766","0.1407","","","0.2961","0.315","","","","","","1.106","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550368","25.3346","0.0008","15.1339","0.0005","19.9751","0.0006","90","","95.659","0.001","90","","7621.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Eu@C2(13)-C80 Ni(OEP)","Eu@C2(13)-C80 Ni(OEP)","","- C130.05 H53.66 Eu N4 Ni S0.78 -","- C130.05 H53.66 Eu1.0002 N4 Ni S0.78 -","- C520.2 H214.64 Eu4.0008 N16 Ni4 S3.12 -","4","0.5","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.0979","0.0905","","","0.2303","0.2371","","","","","","1.046","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550369","25.386","0.006","15.123","0.006","19.953","0.005","90","","95.2","0.003","90","","7629","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C2(11)-C80 Ni(OEP) 2(C6H6)","Eu@C2(11)-C80 Ni(OEP) 2(C6H6)","","- C132 H56 Eu N4 Ni -","- C132 H56 Eu N4 Ni -","- C528 H224 Eu4 N16 Ni4 -","4","0.5","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.0985","0.0898","","","0.2658","0.2773","","","","","","1.052","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550375","21.7713","0.0006","21.459","0.0006","27.4874","0.0007","90","","92.893","0.003","90","","12825.5","0.6","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H51.5 Cl6 S5 -","- C77 H51.5 Cl6 S5 -","- C616 H412 Cl48 S40 -","8","1","","Lin, Hsing-An; Kato, Kenta; Segawa, Yasutomo; Scott, Lawrence T.; Itami, Kenichiro","Synthesis and Structural Features of Thiophene-fused Analogues of Warped Nanographene and Quintuple Helicene","Chemical Science","2019","","","","","10.1039/C8SC04470H","","","0.71073","MoKα","","0.1146","0.0899","","","0.2491","0.2702","","","","","","1.033","","","","has coordinates,has disorder","212664","2020-10-21","18:00:00",""
"1550376","8.4646","0.0007","10.2366","0.0011","11.8274","0.0012","77.022","0.009","69.293","0.008","74.924","0.008","915.6","0.17","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O -","- C24 H22 O -","- C48 H44 O2 -","2","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.1055","0.0624","","","0.157","0.1984","","","","","","1.031","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550377","6.8864","0.0005","33.272","0.003","8.5011","0.0008","90","","104.932","0.008","90","","1882","0.3","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.0921","0.0602","","","0.1251","0.1457","","","","","","1.064","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550378","37.682","0.004","6.9971","0.0004","15.2009","0.0009","90","","90","","90","","4007.9","0.5","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C216 H184 N8 O16 -","8","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.0937","0.0717","","","0.1322","0.144","","","","","","1.137","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550379","6.2996","0.0004","14.6723","0.0011","19.1704","0.0013","90","","90","","90","","1771.9","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Gupta, Saswata; Lin, Yongjia; Xia, Yuanzhi; Wink, Donald; Lee, Daesung","Alder-Ene Reactions Driven by High Steric Strain and Bond Angle Distortion to Form Benzocyclobutenes","Chemical Science","2019","","","","","10.1039/C8SC04277B","","","0.71073","MoKα","","0.0682","0.0411","","","0.1031","0.1171","","","","","","0.869","","","","has coordinates","212666","2020-10-21","18:00:00",""
"1550380","25.8366","0.0016","25.8366","0.0016","13.6675","0.0009","90","","90","","120","","7901.2","0.9","297","2","296.96","","","","","","","","No","4","R -3 m","-R 3 2""","166","Ti3-BPDC","Ti3-BPDC","","- C42 H30 O14 Ti3 -","- C42 H25 O14 Ti3 -","- C126 H75 O42 Ti9 -","3","","","Feng, Xuanyu; Song, Yang; Chen, Justin S.; Li, Zhe; Chen, Emily Y.; Kaufmann, Michael; Wang, Cheng; Lin, Wenbin","Cobalt-Bridged Secondary Building Units in a Titanium Metal-Organic Framework Catalyze Cascade Reduction of N-Heteroarenes","Chemical Science","2019","","","","","10.1039/C8SC04610G","","","0.71073","MoKα","","0.1213","0.1129","","","0.343","0.3547","","","","","","1.607","","","","has coordinates","212667","2020-10-21","18:00:00",""
"1550381","13.8833","0.0011","29.9782","0.001","18.874","0.002","90","","93.677","0.012","90","","7839.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.74 H94.11 Cl4 N9.37 O6 P2 -","- C78.74 H94.11 Cl4 N9.37 O6 P2 -","- C314.96 H376.44 Cl16 N37.48 O24 P8 -","4","1","","Peñuelas-Haro, Guillem; Ballester, Pablo","Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors","Chemical Science","2019","","","","","10.1039/C8SC05034A","","","0.71073","MoKα","","0.1265","0.0961","","","0.2637","0.2862","","","","","","1.05","","","","has coordinates,has disorder","212740","2020-10-21","18:00:00",""
"1550382","19.6411","0.0004","19.6411","0.0004","18.4185","0.0005","90","","90","","90","","7105.4","0.3","100","2","100","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C74 H87 Cl4 N7 O6 P2 -","- C74 H87 Cl4 N7 O6 P2 -","- C296 H348 Cl16 N28 O24 P8 -","4","0.25","","Peñuelas-Haro, Guillem; Ballester, Pablo","Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors","Chemical Science","2019","","","","","10.1039/C8SC05034A","","","0.7107","MoKα","","0.0627","0.0545","","","0.1483","0.1526","","","","","","1.184","","","","has coordinates,has disorder","212740","2020-10-21","18:00:00",""
"1550401","13.861","0.005","15.962","0.006","17.258","0.006","69.871","0.006","75.157","0.006","81.221","0.007","3457","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H66 Cl2 N10 O12 -","- C77 H68 Cl2 N10 O12 -","- C154 H136 Cl4 N20 O24 -","2","1","","Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction","Chemical Science","2019","10","2","490","","10.1039/C8SC03824D","","","0.71073","MoKα","","0.2728","0.0749","","","0.1296","0.1799","","","","","","0.804","","","","has coordinates","212907","2020-10-21","18:00:00",""
"1550402","7.804","0.002","11.72","0.003","13.252","0.004","90","","94.565","0.005","90","","1208.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction","Chemical Science","2019","10","2","490","","10.1039/C8SC03824D","","","0.71073","MoKα","","0.0671","0.0481","","","0.1267","0.1354","","","","","","1.087","","","","has coordinates","212907","2020-10-21","18:00:00",""
"1550403","10.5476","0.0005","13.0639","0.0006","22.5422","0.0013","90","","99.217","0.005","90","","3066","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Al N2 -","- C32 H47 Al N2 -","- C128 H188 Al4 N8 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","","0.71073","MoKα","","0.0856","0.0586","","","0.1404","0.1591","","","","","","1.035","","","","has coordinates,has disorder","212908","2020-10-21","18:00:00",""
"1550404","19.4468","0.0012","18.4781","0.0007","20.5105","0.0013","90","","102.346","0.007","90","","7199.8","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H57 Al N2 -","- C38.5 H57 Al N2 -","- C308 H456 Al8 N16 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","","0.71073","MoKα","","0.1114","0.0752","","","0.1808","0.2093","","","","","","1.022","","","","has coordinates,has disorder","212908","2020-10-21","18:00:00",""
"1550405","12.3296","0.0004","16.8397","0.0005","17.7035","0.0006","90","","106.384","0.004","90","","3526.5","0.2","173","0.14","173","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 Al N2 O -","- C39 H53 Al N2 O -","- C156 H212 Al4 N8 O4 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","x-ray","0.71073","MoKα","","0.092","0.065","","","0.1515","0.1647","","","","","","1.101","","","","has coordinates","212908","2020-10-21","18:00:00",""
"1550406","12.3658","0.0005","17.1209","0.0006","14.023","0.0005","90","","104.507","0.004","90","","2874.2","0.19","172.95","0.1","172.95","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 Al N2 -","- C31 H45 Al N2 -","- C124 H180 Al4 N8 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","x-ray","0.71073","MoKα","","0.0645","0.0465","","","0.1147","0.1255","","","","","","1.056","","","","has coordinates","212908","2020-10-21","18:00:00",""
"1550407","11.227","0.0004","14.6841","0.0006","21.0838","0.0009","90","","90","","90","","3475.8","0.2","172.95","0.1","172.95","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 Al N2 -","- C38 H50 Al N2 -","- C152 H200 Al4 N8 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","x-ray","0.71073","MoKα","","0.0731","0.0502","","","0.1269","0.1458","","","","","","0.867","","","","has coordinates,has disorder","212908","2020-10-21","18:00:00",""
"1550408","24.6053","0.0003","15.38681","0.00019","14.82658","0.00016","90","","96.6729","0.0011","90","","5575.27","0.11","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Al2 N4 -","- C62 H90 Al2 N4 -","- C248 H360 Al8 N16 -","4","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","","1.54184","CuKα","","0.0472","0.0401","","","0.1058","0.1122","","","","","","1.058","","","","has coordinates","212908","2020-10-21","18:00:00",""
"1550409","16.1504","0.0011","16.2726","0.0012","17.8745","0.0013","99.297","0.003","112.765","0.002","102.854","0.002","4059.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 Cu F12 N8 O14.13 S4 -","- C48 H36 Cu F12 N8 O14.1333 S4 -","- C144 H108 Cu3 F36 N24 O42.4 S12 -","3","1.5","","Liu, Yanju; Han, Yongzhen; Zhang, Zongyao; Zhang, Wei; Lai, Wenzhen; Wang, Yong; Cao, Rui","Low overpotential water oxidation at neutral pH catalyzed by a copper(II) porphyrin","Chemical Science","2019","","","","","10.1039/C8SC04529A","","","0.71073","MoKα","","0.0993","0.0895","","","0.247","0.2578","","","","","","0.997","","","","has coordinates","212909","2020-10-21","18:00:00",""
"1550410","10.4039","0.0002","12.682","0.0003","21.4037","0.0005","88.235","0.001","80.175","0.001","82.373","0.001","2757.92","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H21 Al2 F55 O6 Si -","- C35.0004 H21 Al2 F55.0009 O6.0001 Si -","- C70.0008 H42 Al4 F110.002 O12.0002 Si2 -","2","1","","Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo","Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation","Chemical Science","2019","","","","","10.1039/C8SC04591G","","","0.71073","MoKα","","0.0478","0.0354","","","0.0849","0.0904","","","","","","1.034","","","","has coordinates,has disorder","212910","2020-10-21","18:00:00",""
"1550411","9.4236","0.0002","10.9684","0.0003","20.6676","0.0005","78.207","0.001","88.952","0.002","83.352","0.002","2077.06","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Al F28 N2 O3 Si -","- C30 H31 Al F28 N2 O3 Si -","- C60 H62 Al2 F56 N4 O6 Si2 -","2","1","","Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo","Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation","Chemical Science","2019","","","","","10.1039/C8SC04591G","","","0.71073","MoKα","","0.0642","0.0475","","","0.1241","0.133","","","","","","1.048","","","","has coordinates","212910","2020-10-21","18:00:00",""
"1550412","12.2182","0.0008","11.395","0.0007","21.1752","0.0014","90","","105.383","0.003","90","","2842.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 Al F27 N2 O3 -","- C19 H10 Al F27 N2 O3 -","- C76 H40 Al4 F108 N8 O12 -","4","1","","Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo","Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation","Chemical Science","2019","","","","","10.1039/C8SC04591G","","","0.71073","MoKα","","0.0295","0.0277","","","0.0685","0.0697","","","","","","1.043","","","","has coordinates,has disorder","212910","2020-10-21","18:00:00",""
"1550413","15.3747","0.0002","7.2401","0.0001","18.684","0.0003","90","","102.066","0.001","90","","2033.85","0.05","130","","130","","","","","","","","Titouan Royal","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C96 H88 F4 N4 O16 -","4","2","","Royal, Titouan; Baudoin, Olivier","Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement","Chemical Science","2019","","","","","10.1039/C8SC05058A","","","1.34143","GaKα","","0.0415","0.0379","","","0.1101","0.1133","","","","","","1.0474","","","","has coordinates","212911","2020-10-21","18:00:00",""
"1550414","15.3844","0.0008","7.2248","0.0004","18.6689","0.001","90","","102.133","0.0018","90","","2028.68","0.19","130","","130","","","","","","","","T. Royal","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C96 H88 F4 N4 O16 -","4","2","","Royal, Titouan; Baudoin, Olivier","Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement","Chemical Science","2019","","","","","10.1039/C8SC05058A","","","1.54178","CuKα","","0.0356","0.0351","","0.0884","0.088","0.0884","","","","","","0.8837","","","","has coordinates","212911","2020-10-21","18:00:00",""
"1550415","18.5184","0.0008","19.9443","0.0007","9.0043","0.0004","90","","90","","90","","3325.6","0.2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C39 H32 Br2 N4 O -","- C39 H32 Br2 N4 O -","- C156 H128 Br8 N16 O4 -","4","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; McEachern, David F.; Dissanayake, Madushanka M.; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S.","UV-irradiation of self-assembled triphenylamines affords persistent and regenerable radicals","Chemical Science","2019","","","","","10.1039/C8SC04607G","","x-ray","0.71073","MoKα","","0.0561","0.044","","","0.121","0.1294","","","","","","1.047","","","","has coordinates,has disorder","212912","2020-10-21","18:00:00",""
"1550416","20.4627","0.0005","15.7895","0.0004","25.0638","0.0006","90","","90","","90","","8098","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C79 H106 N18 O14 P -","- C79 H103 N18 O14 P -","- C316 H412 N72 O56 P4 -","4","1","","Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao","Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence","Chemical Science","2019","","","","","10.1039/C8SC04338H","","","0.71073","MoKα","","0.1244","0.0792","","","0.1964","0.2197","","","","","","1.144","","","","has coordinates","212913","2020-10-21","18:00:00",""
"1550417","15.948","0.002","16.487","0.002","16.568","0.002","98.9391","0.0019","95.3315","0.0018","117.154","0.0018","3762","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H157 N32 O20 P2 -","- C142 H168.112 N32 O20 P2 -","- C142 H168.112 N32 O20 P2 -","1","0.5","","Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao","Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence","Chemical Science","2019","","","","","10.1039/C8SC04338H","","","0.71073","MoKα","","0.1033","0.0792","","","0.1707","0.1811","","","","","","1.02","","","","has coordinates,has disorder","212913","2020-10-21","18:00:00",""
"1550418","22.7938","0.0008","18.9289","0.0004","23.1163","0.0008","90","","119.257","0.005","90","","8701.5","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C142 H201 N36 O33 P2 -","- C142 H198 N36 O33 P2 -","- C284 H396 N72 O66 P4 -","2","0.5","","Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao","Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence","Chemical Science","2019","","","","","10.1039/C8SC04338H","","","1.54184","CuKα","","0.1211","0.1074","","","0.2146","0.2201","","","","","","1.044","","","","has coordinates","212913","2020-10-21","18:00:00",""
"1550419","7.6102","0.0008","10.7051","0.0011","27.326","0.003","90","","90","","90","","2226.2","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl (S)-1-(3,3-bis(4-chlorophenyl)allyl) -2-oxo-1,2-dihydronaphthalene-1-carboxylate","","","- C27 H20 Cl2 O3 -","- C27 H20 Cl2 O3 -","- C108 H80 Cl8 O12 -","4","1","","Yao, Lu; Ishihara, Kazuaki","Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex","Chemical Science","2019","","","","","10.1039/C8SC05601C","","","0.71075","MoKα","","0.0275","0.0259","","","0.0671","0.0678","","","","","","1.059","","","","has coordinates","212914","2020-10-21","18:00:00",""
"1550420","14.293","0.003","16.823","0.003","21.7","0.005","90","","90","","90","","5217.8","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Cu F6 N4 O8 S2 -","- C50 H64 Cu F6 N4 O8 S2 -","- C200 H256 Cu4 F24 N16 O32 S8 -","4","1","","Yao, Lu; Ishihara, Kazuaki","Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex","Chemical Science","2019","","","","","10.1039/C8SC05601C","","","0.71075","MoKα","","0.1782","0.0834","","","0.1116","0.1397","","","","","","1.107","","","","has coordinates","212914","2020-10-21","18:00:00",""
"1550421","16.393","0.0004","12.1248","0.0003","20.3969","0.0005","90","","96.964","0.002","90","","4024.22","0.17","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N6 O6 -","- C50 H46 N6 O6 -","- C200 H184 N24 O24 -","4","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.0962","0.0718","","","0.1884","0.2125","","","","","","1.061","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550422","10.6274","0.0004","12.6722","0.0006","13.0666","0.0004","76.113","0.003","81.646","0.003","68.89","0.004","1590.27","0.12","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H52 Cl12 N8 O6 -","- C66 H52 Cl12 N8 O6 -","- C66 H52 Cl12 N8 O6 -","1","0.5","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.0701","0.0629","","","0.1521","0.1581","","","","","","1.052","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550423","9.1177","0.001","10.6349","0.0006","13.6347","0.0015","84.797","0.007","86.884","0.009","73.337","0.007","1260.8","0.2","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C60 H46 N8 O7 -","- C60 H46 N8 O7 -","- C60 H46 N8 O7 -","1","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.1785","0.1382","","","0.3522","0.3942","","","","","","1.378","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550424","9.5459","0.0006","10.8943","0.0007","14.704","0.001","77.534","0.006","84.269","0.005","68.203","0.006","1386.03","0.17","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C62 H50 Cl8 N8 O6 -","- C62 H50 Cl8 N8 O6 -","- C62 H50 Cl8 N8 O6 -","1","0.5","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","","","0.0617","0.0425","","","0.0935","0.1049","","","","","","1.047","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550425","34.5017","0.0004","10.56728","0.00012","14.7887","0.0002","90","","90","","90","","5391.8","0.11","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C62 H46 Cl8 N8 O5 -","- C62 H46 Cl8 N8 O5 -","- C248 H184 Cl32 N32 O20 -","4","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.0416","0.0389","","","0.0939","0.0963","","","","","","1.033","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550426","10.5616","0.0003","23.6815","0.0007","27.6022","0.0005","94.092","0.002","92.874","0.0019","92.603","0.002","6869.1","0.3","150","0.1","150","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H50 Cl16 N8 O6 -","- C66 H50 Cl16 N8 O6 -","- C264 H200 Cl64 N32 O24 -","4","2","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.1369","0.1021","","","0.2662","0.3016","","","","","","1.041","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550427","10.653","0.015","12.928","0.018","51.06","0.02","92.18","0.07","90.93","0.07","111.37","0.13","6540","14","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C134 H110 Cl24 N16 O17 -","- C134 H110 Cl24 N16 O17 -","- C268 H220 Cl48 N32 O34 -","2","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","0.71073","MoKα","","0.1162","0.0751","","","0.2036","0.219","","","","","","1.016","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550428","10.2284","0.0012","11.0264","0.0013","12.5397","0.0013","88.589","0.008","80.364","0.007","79.511","0.008","1371","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B Cl F10 N -","- C29 H21 B Cl F10 N -","- C58 H42 B2 Cl2 F20 N2 -","2","1","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","1.54178","CuKα","","0.1027","0.057","","","0.1371","0.167","","","","","","0.972","","","","has coordinates,has disorder","212916","2020-10-21","18:00:00",""
"1550429","10.2011","0.0004","11.0143","0.0004","12.5252","0.0005","88.743","0.001","80.865","0.001","79.649","0.001","1366.81","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B Br F10 N -","- C29 H21 B Br F10 N -","- C58 H42 B2 Br2 F20 N2 -","2","1","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","1.54178","CuKα","","0.0311","0.0295","","","0.0724","0.0734","","","","","","1.039","","","","has coordinates,has disorder","212916","2020-10-21","18:00:00",""
"1550430","9.9507","0.0003","11.7835","0.0003","16.007","0.0005","71.517","0.001","86.117","0.001","70.299","0.001","1674.26","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 B F10 P -","- C36 H42 B F10 P -","- C72 H84 B2 F20 P2 -","2","1","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","0.71073","MoKα","","0.0701","0.0551","","","0.1147","0.1266","","","","","","1.08","","","","has coordinates","212916","2020-10-21","18:00:00",""
"1550431","10.8108","0.0003","12.1099","0.0003","19.1989","0.0005","76.703","0.001","75.176","0.001","87.966","0.001","2363.95","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27.5 H43 Cl -","- C27.5 H43 Cl -","- C110 H172 Cl4 -","4","2","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","1.54178","CuKα","","0.1003","0.069","","","0.1555","0.172","","","","","","1.03","","","","has coordinates,has disorder","212916","2020-10-21","18:00:00",""
"1550465","13.125","0.003","17.799","0.003","21.46","0.004","90","","106.821","0.007","90","","4798.8","1.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H15 Cl2 F20 Ga N4 O2 -","- C52 H15 Cl2 F20 Ga N4 O2 -","- C208 H60 Cl8 F80 Ga4 N16 O8 -","4","1","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","0.71073","MoKα","","0.0769","0.0533","","","0.1143","0.127","","","","","","1.005","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550466","14.3965","0.0006","25.5948","0.001","13.8025","0.0006","90","","93.422","0.001","90","","5076.8","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 Cl0 F20 Ga N4 O5 -","- C52 H33 F20 Ga N4 O5 -","- C208 H132 F80 Ga4 N16 O20 -","4","1","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","0.71073","MoKα","","0.0992","0.0641","","","0.1566","0.1796","","","","","","1.081","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550467","14.5269","0.0018","7.3499","0.0009","12.7491","0.0018","90","","90","","90","","1361.2","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl3 Ga N4 -","- C8 H20 Cl3 Ga N4 -","- C32 H80 Cl12 Ga4 N16 -","4","1","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","0.71073","MoKα","","0.0196","0.0194","","","0.047","0.0472","","","","","","1.033","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550468","14.0662","0.0018","5.607","0.0008","26.055","0.003","90","","95.056","0.005","90","","2046.9","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H8 F20 Ga N4 O2 -","- C44 H8 F20 Ga N4 O2 -","- C88 H16 F40 Ga2 N8 O4 -","2","0.5","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","1.54178","CuKα","","0.0342","0.0303","","","0.0852","0.0879","","","","","","1.081","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550469","8.9227","0.0015","18.531","0.003","5.5268","0.0009","90","","90","","90","","913.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C2 H6 F3 N O6 S2 -","- C2 H6 F3 N O6 S2 -","- C8 H24 F12 N4 O24 S8 -","4","1","","D'Amato, Erica M.; Börgel, Jonas; Ritter, Tobias","Aromatic C‒H amination in hexafluoroisopropanol","Chemical Science","2019","","","","","10.1039/C8SC04966A","","","0.71073","MoKα","","0.0232","0.0228","","","0.0557","0.056","","","","","","1.08","","","","has coordinates","213030","2020-10-21","18:00:00",""
"1550470","10.367","0.002","12.452","0.003","15.704","0.003","69.094","0.005","88.918","0.006","67.783","0.005","1737.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Al2 Br2 -","- C34 H58 Al2 Br2 -","- C68 H116 Al4 Br4 -","2","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0987","0.08","","","0.2567","0.2664","","","","","","1.14","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550471","19.582","0.006","8.479","0.002","21.301","0.008","90","","93.33","0.02","90","","3530.8","1.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H58 Al2 Br2 -","- C34 H58 Al2 Br2 -","- C136 H232 Al8 Br8 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0428","0.037","","","0.1147","0.1182","","","","","","1.186","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550472","8.824","0.003","29.234","0.006","12.125","0.003","90","","108.8","0.02","90","","2960.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Al2 Br2 -","- C27 H44 Al2 Br2 -","- C108 H176 Al8 Br8 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0711","0.0378","","","0.0619","0.07","","","","","","1.014","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550473","17.2467","0.0017","13.0572","0.0009","18.6141","0.0016","90","","90","","90","","4191.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H68 Al2 N2 -","- C46 H68 Al2 N2 -","- C184 H272 Al8 N8 -","4","0.5","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.1067","0.0519","","","0.0955","0.1138","","","","","","1.006","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550474","9.4","0.005","14.876","0.009","13.886","0.009","90","","105.24","0.04","90","","1873","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Al Br2 -","- C17 H29 Al Br2 -","- C68 H116 Al4 Br8 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0725","0.0408","","","0.0747","0.0841","","","","","","0.999","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550475","10.6448","0.0018","10.6844","0.002","11.1041","0.0012","63.541","0.005","81.455","0.007","73.465","0.006","1083.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 Al2 Br3 -","- C17 H29 Al2 Br3 -","- C34 H58 Al4 Br6 -","2","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0154","0.0145","","","0.0347","0.035","","","","","","1.085","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550476","14.173","0.009","19.091","0.014","19.858","0.014","90","","109.37","0.02","90","","5069","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H87 Al3 O3 -","- C51 H87 Al3 O3 -","- C204 H348 Al12 O12 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.1473","0.0579","","","0.1072","0.137","","","","","","0.996","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550477","9.8915","0.0004","21.5331","0.0009","11.5146","0.0005","90","","90.457","0.001","90","","2452.47","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H38 Al2 Cl2 -","- C21 H38 Al2 Cl2 -","- C84 H152 Al8 Cl8 -","4","2","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0437","0.0338","","","0.0741","0.0778","","","","","","1.012","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550478","10.1424","0.0016","38.371","0.007","10.1825","0.0019","90","","105.719","0.013","90","","3814.6","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Al3 Br3 -","- C34 H58 Al3 Br3 -","- C136 H232 Al12 Br12 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0331","0.0256","","","0.0496","0.0517","","","","","","1.068","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550479","22.5468","0.0019","10.4722","0.0009","7.3277","0.0005","90","","107.751","0.005","90","","1647.8","0.2","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Craig, Robert A.; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Correction: Enantioselective, convergent synthesis of the ineleganolide core by a tandem annulation cascade","Chemical Science","2019","","","","","10.1039/C8SC90236D","","","1.54178","CuKα","","0.0277","0.0274","","","0.0697","0.0699","","","","","","1.048","","","","has coordinates,has disorder","213056","2020-10-21","18:00:00",""
"1550480","7.599","0.0001","10.249","0.0001","10.488","0.0001","90","","109.1","0.001","90","","771.861","0.015","100.3","0.7","100.3","0.7","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C34 H34 Cl2 N4 O6 -","2","1","","Wu, Zijun; Wang, Jian","A tandem dearomatization/rearomatization strategy: enantioselective N-heterocyclic carbene-catalyzed α-arylation","Chemical Science","2019","","","","","10.1039/C8SC04601H","","x-ray","1.54184","CuKα","","0.0245","0.0244","","","0.0628","0.0629","","","","","","1.087","","","","has coordinates","213085","2020-10-21","18:00:00",""
"1550485","10.1607","0.0011","9.8856","0.0011","16.4378","0.0016","90","","102.188","0.01","90","","1613.9","0.3","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C67 H3 Cl O -","- C67 H3 Cl O -","- C134 H6 Cl2 O2 -","2","1","","Niu, Chuang; Zhou, Dian-Bing; Yang, Yong; Yin, Zheng-Chun; Wang, Guan-Wu","Retro Baeyer‒Villiger Reaction: Electrochemical Reduction of [60]Fullerene-Fused Lactones to [60]Fullerene-Fused Ketones","Chemical Science","2019","","","","","10.1039/C8SC05089A","","","1.54184","CuKα","","0.088","0.0714","","","0.202","0.223","","","","","","1.089","","","","has coordinates","213171","2020-10-21","18:00:00",""
"1550486","9.758","0.003","13.838","0.004","18.798","0.005","103.599","0.002","104.123","0.002","101.639","0.002","2300.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 Cl4 Ir N4 O6 -","- C52.999 H36.998 Cl3.998 Ir N4 O6 -","- C105.998 H73.996 Cl7.996 Ir2 N8 O12 -","2","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0534","0.0346","","","0.056","0.0594","","","","","","1.023","","","","has coordinates,has disorder","213213","2020-10-21","18:00:00",""
"1550487","14.7106","0.0011","23.3274","0.0017","12.5713","0.001","90","","90.352","0.001","90","","4313.9","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H37 B Cl3 Ir N2 O6 -","- C52 H37 B Cl3 Ir N2 O6 -","- C208 H148 B4 Cl12 Ir4 N8 O24 -","4","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0507","0.0397","","","0.1049","0.1107","","","","","","1.156","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550488","12.9285","0.0011","13.0934","0.0011","15.0271","0.0012","107.392","0.002","96.416","0.002","111.677","0.002","2183.9","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H35 B2 Cl2 Ir N2 O6 -","- C52 H35 B2 Cl2 Ir N2 O6 -","- C104 H70 B4 Cl4 Ir2 N4 O12 -","2","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0439","0.0367","","","0.1004","0.1036","","","","","","1.131","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550489","34.306","0.009","16.952","0.005","28.45","0.006","90","","126.132","0.012","90","","13363","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H43 B2 Ir N4 O6 -","- C61 H43 B2 Ir N4 O6 -","- C488 H344 B16 Ir8 N32 O48 -","8","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.049","0.0386","","","0.1145","0.1193","","","","","","1.023","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550490","10.3303","0.0007","31.873","0.002","13.6751","0.0009","90","","95.52","0.001","90","","4481.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cl3 Ir N2 O6 -","- C52 H40 Cl3 Ir N2 O6 -","- C208 H160 Cl12 Ir4 N8 O24 -","4","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0273","0.0234","","","0.0501","0.0536","","","","","","1.072","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550491","12.8021","0.0014","13.4779","0.0014","13.5356","0.0013","71.759","0.003","73.179","0.003","63.251","0.003","1950.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H36 Ir N3 O6 -","- C51 H36 Ir N3 O6 -","- C102 H72 Ir2 N6 O12 -","2","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0998","0.0565","","","0.0971","0.1116","","","","","","1.048","","","","has coordinates,has disorder","213213","2020-10-21","18:00:00",""
"1550492","16.7138","0.0005","25.8579","0.0004","16.5041","0.0005","90","","103.462","0.003","90","","6936.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 B2 Ir N6 O6 -","- C65 H55 B2 Ir N6 O6 -","- C260 H220 B8 Ir4 N24 O24 -","4","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0558","0.0375","","","0.076","0.0805","","","","","","1.073","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550493","11.5425","0.0005","20.2515","0.0009","8.2218","0.0004","90","","92.176","0.002","90","","1920.48","0.15","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C80 H80 Cl4 N4 O8 S4 -","4","1","","Lei, Aiwen; Li, Dan-Dan; Li, Shuaibing; Peng, Chong; Lu, Lijun; Wang , Shengchun; Wang, Pan; Chen, Yi-Hung; Cong, Hengjiang","Electrochemical Oxidative C-H/S-H Cross-Coupling between Enamines and Thiophenols with H2 Evolution","Chemical Science","2019","","","","","10.1039/C8SC05143G","","","0.71073","MoKα","","0.0543","0.0408","","","0.1063","0.1159","","","","","","1.03","","","","has coordinates","213214","2020-10-21","18:00:00",""
"1550495","9.9327","0.0001","18.4467","0.0003","15.8535","0.0002","90","","104.801","0.002","90","","2808.38","0.07","149.93","0.15","149.93","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 O P Sn -","- C35 H27 O P Sn -","- C140 H108 O4 P4 Sn4 -","4","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0314","0.0301","","","0.0788","0.0802","","","","","","1.05","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550496","12.7694","0.0003","7.3282","0.0003","38.4557","0.001","90","","90","","90","","3598.56","0.19","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Au Cl N O P -","- C19 H16 Au Cl N O P -","- C152 H128 Au8 Cl8 N8 O8 P8 -","8","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0589","0.0491","","","0.1287","0.1388","","","","","","1.041","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550497","15.3119","0.0001","21.8107","0.0002","28.8693","0.0002","90","","99.077","0.001","90","","9520.55","0.13","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H77 Au6 Cl5 O5 P5 S -","- C92 H77 Au6 Cl5 O5 P5 S -","- C368 H308 Au24 Cl20 O20 P20 S4 -","4","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.07","0.0666","","","0.171","0.1722","","","","","","1.119","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550498","7.3741","0.0006","7.5275","0.0007","11.8201","0.001","78.77","0.007","87.887","0.007","67.556","0.008","594.3","0.1","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cl2 Cu2 N2 O6 P2 -","- C18 H20 Cl2 Cu2 N2 O6 P2 -","- C18 H20 Cl2 Cu2 N2 O6 P2 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0689","0.0636","","","0.1843","0.1994","","","","","","1.068","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550499","14.7461","0.0006","15.0636","0.0007","22.964","0.0007","87.081","0.003","75.816","0.003","63.403","0.004","4412","0.4","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C187 H158 Cl6 Cu8 O8 P16 -","- C187 H158 Cl6 Cu8 O8 P16 -","- C187 H158 Cl6 Cu8 O8 P16 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","","0.71073","MoKα","","0.1296","0.0579","","","0.1109","0.1258","","","","","","0.826","","","","has coordinates,has disorder","213240","2020-10-21","18:00:00",""
"1550500","9.1382","0.0008","11.4943","0.0008","12.1632","0.0007","79.859","0.005","71.565","0.006","66.823","0.007","1112.26","0.15","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 Cu2 O4 P4 -","- C40 H60 Cl2 Cu2 O4 P4 -","- C40 H60 Cl2 Cu2 O4 P4 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0563","0.0503","","","0.1304","0.1397","","","","","","1.035","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550501","8.0889","0.0004","9.7187","0.0005","10.6284","0.0005","78.259","0.004","87.754","0.004","80.431","0.004","806.66","0.07","290.85","0.1","290.85","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cl2 Cu2 O4 P4 -","- C28 H36 Cl2 Cu2 O4 P4 -","- C28 H36 Cl2 Cu2 O4 P4 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0571","0.0555","","","0.1528","0.1545","","","","","","1.121","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550502","27.5839","0.001","9.1559","0.0002","28.119","0.0011","90","","121.726","0.005","90","","6040.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H80 Na2 O15 P2 -","- C62 H80 Na2 O15 P2 -","- C248 H320 Na8 O60 P8 -","4","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","","1.54184","CuKα","","0.0447","0.0381","","","0.097","0.1015","","","","","","1.061","","","","has coordinates,has disorder","213240","2020-10-21","18:00:00",""
"1550503","17.1019","0.0013","3.8793","0.0003","21.547","0.002","90","","97.229","0.009","90","","1418.1","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl Cu O P -","- C17 H13 Cl Cu O P -","- C68 H52 Cl4 Cu4 O4 P4 -","4","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.1146","0.0907","","","0.2423","0.281","","","","","","1.036","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550504","10.7949","0.0004","11.5285","0.0006","11.9802","0.0005","87.576","0.004","84.28","0.004","71.512","0.004","1406.85","0.11","149.98","0.1","149.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H27 Au O P2 -","- C35 H27 Au O P2 -","- C70 H54 Au2 O2 P4 -","2","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.055","0.049","","","0.1211","0.1281","","","","","","1.028","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550505","6.9557","0.0008","7.4897","0.0008","41.571","0.005","90","","90","","90","","2165.7","0.4","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N4 O12 -","- C19 H24 N4 O12 -","- C76 H96 N16 O48 -","4","1","","Shi, Jing; Zeng, Ying Jie; Zhang, Bo; Shao, Fen Li; Chen, Yan-Chi; Xu, Xiang; Sun, Yang; Xu, Qiang; Tan, Ren Xiang; Ge, Hui Ming","Comparative Genome Mining and Heterologous Expression of an Orphan NRPS Gene Cluster Directs the Production of Ashimides","Chemical Science","2019","","","","","10.1039/C8SC05670F","","","1.54178","CuKα","","0.0495","0.0422","","","0.0938","0.0976","","","","","","1.044","","","","has coordinates","213241","2020-10-21","18:00:00",""
"1550512","9.7427","0.0014","13.5639","0.0019","21.658","0.003","90","","90","","90","","2862.1","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H28 O2 -","- C41 H28 O2 -","- C164 H112 O8 -","4","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiao-Chun; Jiang, Gaoxi","Brønsted acid-catalyzed aromatic annulation of alkoxyallenes with naphthols: a reaction sequence to larger π-conjugated naphthopyrans with aggregation-induced emission characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0533","0.0419","","","0.102","0.1106","","","","","","0.999","","","","has coordinates","213265","2020-10-21","18:00:00",""
"1550513","12.8537","0.0019","13.3132","0.0018","11.8696","0.0017","90","","114.474","0.002","90","","1848.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br O -","- C26 H17 Br O -","- C104 H68 Br4 O4 -","4","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiao-Chun; Jiang, Gaoxi","Brønsted acid-catalyzed aromatic annulation of alkoxyallenes with naphthols: a reaction sequence to larger π-conjugated naphthopyrans with aggregation-induced emission characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0597","0.0395","","","0.0907","0.0986","","","","","","1","","","","has coordinates","213265","2020-10-21","18:00:00",""
"1550514","8.1149","0.0002","14.8158","0.0003","12.0097","0.0003","90","","104.644","0.003","90","","1397.01","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 As5 Cr2 -","- C10 H10 As5 Cr2 -","- C40 H40 As20 Cr8 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","1.54178","CuKα","","0.0747","0.0711","","","0.2017","0.2049","","","","","","1.075","","","","has coordinates","213266","2020-10-21","18:00:00",""
"1550515","30.4118","0.0004","29.4289","0.0002","28.8188","0.0003","90","","112.875","0.001","90","","23764","0.5","123","0.3","123","0.3","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C130.61 H192.4 As5 Cl19.27 Cr2 Cu13.35 Fe11 N3.83 P55 -","- C130.61 H192.395 As5 Cl19.27 Cr2 Cu13.35 Fe11 N3.825 P55 -","- C522.44 H769.58 As20 Cl77.08 Cr8 Cu53.4 Fe44 N15.3 P220 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","1.54178","CuKα","","0.0642","0.0562","","","0.1412","0.1445","","","","","","1.009","","","","has coordinates,has disorder","213266","2020-10-21","18:00:00",""
"1550516","27.08802","0.00013","33.62013","0.00012","25.36593","0.00011","90","","103.351","0.0005","90","","22476.5","0.17","80","2","80","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55 -","- C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55 -","- C500.8 H738 As20 Br58.2 Cl27.2 Cr8 Cu58.2 Fe44 N3.6 P220 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","0.6199","synchrotron","","0.0483","0.0395","","","0.1057","0.1076","","","","","","0.982","","","","has coordinates,has disorder","213266","2020-10-21","18:00:00",""
"1550523","13.3925","0.0003","25.1226","0.0008","27.0041","0.0009","90","","90","","90","","9085.6","0.5","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Mn9-lipoate Lambda-Lambda enantiomer","","- C78 H102 Cl Mn9 N6 O28 S6 -","- C78 H102 Cl Mn9 N6 O28 S6 -","- C312 H408 Cl4 Mn36 N24 O112 S24 -","4","1","","Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios","Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet","Chemical Science","2019","","","","","10.1039/C8SC04917C","","x-ray","0.71073","MoKα","","0.0661","0.0591","","","0.1619","0.1696","","","","","","1.037","","","","has coordinates,has disorder","213329","2020-10-21","18:00:00",""
"1550524","13.4007","0.0006","25.1409","0.0011","26.8999","0.0012","90","","90","","90","","9062.7","0.7","122","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Mn9-lipoate Delta-Delta enantiomer","","- C78 H102 Cl Mn9 N6 O28 S6 -","- C78 H102 Cl Mn9 N6 O28 S6 -","- C312 H408 Cl4 Mn36 N24 O112 S24 -","4","1","","Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios","Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet","Chemical Science","2019","","","","","10.1039/C8SC04917C","","x-ray","0.71073","MoKα","","0.0547","0.0483","","","0.1202","0.1249","","","","","","1.045","","","","has coordinates,has disorder","213329","2020-10-21","18:00:00",""
"1550525","5.8911","0.0001","12.299","0.0003","22.4992","0.0005","90","","90","","90","","1630.17","0.06","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Breit, Bernhard; Schmidt, Johannes","Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G","Chemical Science","2019","","","","","10.1039/C8SC05502E","","x-ray","0.71073","MoKα","","0.042","0.0359","","","0.0856","0.089","","","","","","1.03","","","","has coordinates","213330","2020-10-21","18:00:00",""
"1550526","8.136","0.008","17.429","0.015","13.045","0.014","90","","105.2","0.03","90","","1785","3","100","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Breit, Bernhard; Schmidt, Johannes","Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G","Chemical Science","2019","","","","","10.1039/C8SC05502E","","x-ray","0.71073","MoKα","","0.0383","0.0349","","","0.0863","0.0884","","","","","","1.058","","","","has coordinates,has disorder","213330","2020-10-21","18:00:00",""
"1550527","9.07481","0.00016","15.022","0.0002","12.762","0.0002","90","","99.1959","0.0016","90","","1717.38","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C84 H76 N4 O16 S4 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.0403","0.0396","","","0.1059","0.1068","","","","","","1.024","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550528","12.3488","0.0002","9.82302","0.00014","19.2566","0.0004","90","","108.549","0.002","90","","2214.53","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O4 S -","- C28 H25 N O4 S -","- C112 H100 N4 O16 S4 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.0519","0.0479","","","0.126","0.1277","","","","","","1.156","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550529","9.68936","0.00019","16.6569","0.0004","15.2343","0.0003","90","","94.933","0.002","90","","2449.63","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 N2 O7 S -","- C28 H24 N2 O7 S -","- C112 H96 N8 O28 S4 -","4","2","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.061","0.057","","","0.1522","0.1593","","","","","","1.026","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550530","13.78","0.003","9.3801","0.0019","14.41","0.003","90","","92.893","0.004","90","","1860.2","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C88 H84 N4 O16 S4 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","","0.71073","MoKα","","0.0629","0.053","","","0.1299","0.1365","","","","","","1.07","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550531","5.45155","0.00015","18.5193","0.0004","11.2116","0.0003","90","","102.137","0.003","90","","1106.61","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C56 H48 F4 N4 O8 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.0407","0.0394","","","0.1022","0.1032","","","","","","1.044","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550532","9.9629","0.0002","10.4616","0.0002","18.5419","0.0003","90","","90.923","0.001","90","","1932.33","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one","","- C22 H24 B N O3 -","- C22 H24 B N O3 -","- C88 H96 B4 N4 O12 -","4","2","","Shen, Chong; Zeidan, Nicolas; Wu, Quan; Breuers, Christian; Liu, Ren-Rong; Jia, Yi-Xia; Lautens, Mark","Pd-Catalyzed Dearomative Arylborylation of Indoles","Chemical Science","2019","","","","","10.1039/C8SC05737K","","","1.54178","CuKα","","0.041","0.0401","","","0.1036","0.1049","","","","","","1.043","","","","has coordinates,has disorder","213332","2020-10-21","18:00:00",""
"1550533","12.1248","0.0013","14.1447","0.0015","14.1468","0.0015","90","","90","","90","","2426.2","0.4","113","","113","","","","","","","","","4","I 2 2 2","I 2 2","23","1a","1a","","- C36 H72 Mn4 O16 -","- C36 H68.8 Mn4 O16 -","- C72 H137.6 Mn8 O32 -","2","0.25","","Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi","Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters","Chemical Science","2019","","","","","10.1039/C8SC05819A","","","0.71075","MoKα","","0.0255","0.0249","","","0.0716","0.0722","","","","","","1.09","","","","has coordinates,has disorder","213371","2020-10-21","18:00:00",""
"1550534","10.4733","0.001","20.948","0.002","10.6581","0.0011","90","","94.542","0.002","90","","2331","0.4","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6a","6a","","- C52 H54 Mn2 N4 O6 -","- C52 H54 Mn2 N4 O6 -","- C104 H108 Mn4 N8 O12 -","2","0.5","","Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi","Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters","Chemical Science","2019","","","","","10.1039/C8SC05819A","","","0.71075","MoKα","","0.0477","0.0348","","","0.0927","0.0969","","","","","","1.071","","","","has coordinates,has disorder","213371","2020-10-21","18:00:00",""
"1550537","39.183","0.002","9.5561","0.0005","17.8539","0.0011","90","","102.731","0.002","90","","6520.8","0.6","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H43 F6 Ir2 N12 P -","- C56 H43 F6 Ir2 N12 P -","- C224 H172 F24 Ir8 N48 P4 -","4","0.5","","Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan","Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation","Chemical Science","2019","","","","","10.1039/C8SC04520H","","","0.71073","MoKα","","0.051","0.0313","","","0.0703","0.0813","","","","","","1.047","","","","has coordinates","213410","2020-10-21","18:00:00",""
"1550538","10.9356","0.0003","15.8786","0.0004","33.0214","0.0012","90","","90","","90","","5733.9","0.3","292","1","292","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan","Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation","Chemical Science","2019","","","","","10.1039/C8SC04520H","","x-ray","1.54184","CuKα","","0.0637","0.044","","","0.1183","0.1324","","","","","","1.039","","","","has coordinates","213410","2020-10-21","18:00:00",""
"1550544","8.65","0.0003","12.2882","0.0005","13.5191","0.0005","108.311","0.004","90.582","0.003","100.254","0.003","1339.07","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H78 Mg2 N4 -","- C64 H78 Mg2 N4 -","- C64 H78 Mg2 N4 -","1","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0718","0.0533","","","0.1382","0.1501","","","","","","1.043","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550545","15.3389","0.0006","14.0741","0.0005","23.7894","0.001","90","","90","","90","","5135.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H70 Mg2 N4 -","- C60 H70 Mg2 N4 -","- C240 H280 Mg8 N16 -","4","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1308","0.0712","","","0.184","0.21","","","","","","1.065","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550546","14.733","0.003","27.815","0.006","11.021","0.002","90","","90","","90","","4516.4","1.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H114 B2 Cd2 N6 Si2 -","- C93 H114 B2 Cd2 N6 Si2 -","- C186 H228 B4 Cd4 N12 Si4 -","2","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.7109","Synchrotron","","0.045","0.0424","","","0.1101","0.1119","","","","","","1.123","","","","has coordinates,has disorder","213486","2020-10-21","18:00:00",""
"1550547","13.659","0.004","14.429","0.004","15.718","0.005","67.851","0.01","79.39","0.01","66.344","0.01","2626.1","1.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H68 Mg2 N4 -","- C60 H68 Mg2 N4 -","- C120 H136 Mg4 N8 -","2","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.164","0.0916","","","0.2142","0.265","","","","","","1.039","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550548","19.9645","0.0007","11.2773","0.0004","22.9784","0.0008","90","","93.089","0.003","90","","5166","0.3","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C59 H76 Mg2 N4 -","- C59 H76 Mg2 N4 -","- C236 H304 Mg8 N16 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1031","0.0921","","","0.2567","0.2705","","","","","","1.047","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550549","10.9999","0.0004","12.4537","0.0005","13.2073","0.0005","92.95","0.002","90.257","0.002","108.041","0.001","1717.63","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 B2 N6 Si2 Zn2 -","- C72 H100 B2 N6 Si2 Zn2 -","- C72 H100 B2 N6 Si2 Zn2 -","1","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0595","0.0365","","","0.0742","0.0825","","","","","","1.024","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550550","23.4536","0.0017","11.0309","0.0007","33.833","0.002","90","","92.003","0.003","90","","8747.7","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H116 B2 Cd2 I2 N6 Si2 -","- C94 H116 B2 Cd2 I2 N6 Si2 -","- C376 H464 B8 Cd8 I8 N24 Si8 -","4","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0853","0.0676","","","0.1241","0.1299","","","","","","1.248","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550551","11.1004","0.0001","16.2687","0.0003","18.3324","0.0002","90","","103.171","0.001","90","","3223.54","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H80 Mg2 N2 Si2 -","- C76 H80 Mg2 N2 Si2 -","- C152 H160 Mg4 N4 Si4 -","2","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","1.54184","CuKα","","0.0584","0.0451","","","0.1129","0.1199","","","","","","1.062","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550552","18.7478","0.001","12.7752","0.0009","20.4162","0.001","90","","100.287","0.005","90","","4811.2","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 Mg2 N4 -","- C56 H62 Mg2 N4 -","- C224 H248 Mg8 N16 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0592","0.0399","","","0.0906","0.1018","","","","","","1.026","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550553","11.053","0.0007","12.9063","0.0009","23.4106","0.0016","99.68","0.006","97.495","0.006","95.233","0.005","3242","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H98 Ge Mg N3 Si -","- C74 H98 Ge Mg N3 Si -","- C148 H196 Ge2 Mg2 N6 Si2 -","2","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1057","0.0748","","","0.1753","0.1982","","","","","","1.08","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550554","14.8102","0.0004","18.9756","0.0004","31.5018","0.0009","90","","98.531","0.002","90","","8755.1","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C103 H120 N2 Si2 Zn2 -","- C103 H120 N2 Si2 Zn2 -","- C412 H480 N8 Si8 Zn8 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0634","0.046","","","0.0852","0.0917","","","","","","1.02","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550555","19.1394","0.0008","8.9002","0.0003","19.2392","0.0008","90","","107.39","0.004","90","","3127.5","0.2","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4j","","- C22 H17 N2 O0.5 -","- C22 H16 N2 O0.5 -","- C176 H128 N16 O4 -","8","1","","Obata, Atsushi; Sasagawa, Akane; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Nickel-Catalyzed Oxidative C-H/N-H Annulation of N-Heteroaromatic Compounds with Alkynes","Chemical Science","2019","","","","","10.1039/C8SC05063E","","","0.71075","MoKα","","0.0602","0.0531","","","0.1453","0.1548","","","","","","1.091","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550556","8.0732","0.0003","30.9671","0.0009","10.1196","0.0004","90","","97.056","0.004","90","","2510.78","0.16","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-vBX","","- C25 H26 I N O6 S -","- C25 H26 I N O6 S -","- C100 H104 I4 N4 O24 S4 -","4","1","","Caramenti, Paola; Declas, Nina; Tessier, Romain; Wodrich, Matthew D.; Waser, Jerome","Stereoselective Synthesis of Alkyl-, Aryl-, Vinyl- and Alkynyl-Substituted Z- Enamides and Enol Ethers","Chemical Science","2019","","","","","10.1039/C8SC05573D","","x-ray","1.54184","CuKα","","0.0796","0.0738","","","0.1897","0.1935","","","","","","1.109","","","","has coordinates","213488","2020-10-21","18:00:00",""
"1550557","10.6585","0.0003","11.7628","0.0004","17.3425","0.0006","90.309","0.001","91.012","0.001","112.41","0.001","2009.6","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","17076_Complex-1","Lu(iPr2PCH2NPh)3","","- C39 H63 Lu N3 P3 -","- C39 H63 Lu N3 P3 -","- C78 H126 Lu2 N6 P6 -","2","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","0.71073","MoKα","","0.0392","0.0289","","","0.0488","0.0511","","","","","","1.012","","","","has coordinates","213489","2020-10-21","18:00:00",""
"1550558","12.9011","0.0007","14.025","0.0007","25.5191","0.0014","90","","94.979","0.002","90","","4599.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","17111_Complex-3","NiLu(iPr2PCH2NPh)3","","- C46 H71 Lu N3 Ni P3 -","- C46 H71 Lu N3 Ni P3 -","- C184 H284 Lu4 N12 Ni4 P12 -","4","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","0.71073","MoKα","","0.0661","0.0345","","","0.0602","0.0687","","","","","","0.997","","","","has coordinates,has disorder","213489","2020-10-21","18:00:00",""
"1550559","11.5369","0.0005","38.7027","0.0014","11.85","0.0004","90","","112.211","0.002","90","","4898.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","16056_Complex-2","Lu(iPr2PCH2NAr)3tacn","","- C48 H79 Lu N6 P3 -","- C48 H79 Lu N6 P3 -","- C192 H316 Lu4 N24 P12 -","4","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","1.54178","CuKα","","0.0507","0.0334","","","0.0665","0.0726","","","","","","1.012","","","","has coordinates","213489","2020-10-21","18:00:00",""
"1550560","11.4262","0.001","12.1111","0.0011","17.7291","0.0016","76.841","0.001","81.233","0.001","68.244","0.001","2212.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16244_Complex-3-THF","NiLu(iPr2PCH2NPh)3(C4H8O)","","- C43 H71 Lu N3 Ni O P3 -","- C43 H71 Lu N3 Ni O P3 -","- C86 H142 Lu2 N6 Ni2 O2 P6 -","2","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","0.71073","MoKα","","0.0353","0.0282","","","0.0555","0.0586","","","","","","1.036","","","","has coordinates","287893","2023-11-30","16:09:58",""
"1550561","10.7814","0.0002","10.8562","0.0002","20.1873","0.0004","78.273","0.001","79.603","0.001","78.339","0.001","2241.69","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","16087_Complex-2","NiLu(iPr2PCH2NAr)3tacn","","- C45 H72 Lu N6 Ni P3 -","- C45 H72 Lu N6 Ni P3 -","- C90 H144 Lu2 N12 Ni2 P6 -","2","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","1.54178","CuKα","","0.0342","0.0283","","","0.0618","0.0639","","","","","","1.054","","","","has coordinates,has disorder","213489","2020-10-21","18:00:00",""
"1550562","11.679","0.002","22.808","0.005","15.234","0.003","90","","108.9","0.03","90","","3839.2","1.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cu2.01 Li1.99 N4 -","- C36 H72 Cu2.0115 Li1.9885 N4 -","- C144 H288 Cu8.046 Li7.954 N16 -","4","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","0.71073","MoKα","","0.0609","0.0478","","","0.102","0.1051","","","","","","1.242","","","","has coordinates,has disorder","213502","2020-10-21","18:00:00",""
"1550563","11.3883","0.0002","18.8747","0.0004","31.9081","0.0007","90","","90","","90","","6858.7","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H59 Cu3.12 Li0.88 N3 -","- C33 H59 Cu3.124 Li0.876 N3 -","- C264 H472 Cu24.992 Li7.008 N24 -","8","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.058","0.0491","","","0.1036","0.1063","","","","","","1.28","","","","has coordinates,has disorder","213502","2020-10-21","18:00:00",""
"1550564","11.2175","0.0004","15.925","0.0006","18.9824","0.0007","90","","90","","90","","3391","0.2","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C33 H59 Cu4 N3 -","- C33 H59 Cu4 N3 -","- C132 H236 Cu16 N12 -","4","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0249","0.0234","","","0.0613","0.0715","","","","","","1.146","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550565","8.6647","0.0002","16.1964","0.0004","21.7364","0.0006","90","","90","","90","","3050.42","0.13","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cu2 Li2 N2 -","- C30 H46 Cu2 Li2 N2 -","- C120 H184 Cu8 Li8 N8 -","4","0.5","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0451","0.0326","","","0.0754","0.0806","","","","","","1.062","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550566","15.4346","0.0005","12.0863","0.0004","19.5308","0.0006","90","","110.296","0.001","90","","3417.21","0.19","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Cu2 Li2 N3 -","- C33 H59 Cu2 Li2 N3 -","- C132 H236 Cu8 Li8 N12 -","4","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0391","0.0319","","","0.0825","0.087","","","","","","1.013","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550569","18.2208","0.0008","9.3925","0.0004","9.6745","0.0004","90","","92.591","0.003","90","","1653.99","0.12","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O7 -","- C17 H20 O7 -","- C68 H80 O28 -","4","1","","Scheidt, Karl A.; Betori, Rick; McDonald, Benjamin","Reductive Annulations of Arylidene Malonates With Unsaturated Electrophiles Using Photoredox/Lewis Acid Cooperative Catalysis","Chemical Science","2019","","","","","10.1039/C9SC00302A","","","0.71073","MoKα","","0.0654","0.052","","","0.1247","0.1329","","","","","","1.036","","","","has coordinates","213519","2020-10-21","18:00:00",""
"1550570","22.4783","0.0005","11.4618","0.0002","15.6035","0.0004","90","","92.056","0.002","90","","4017.53","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N4 O3 -","- C21 H24 N4 O3 -","- C168 H192 N32 O24 -","8","1","","Saunthwal, Rakesh; Cornall, Matthew; Abrams, Roman; Ward, John; Clayden, Jonathan","Connective Synthesis of 5,5-Disubstituted Hydantoins by Tandem α-Amination and α-Arylation of Silyl Ketene Acetals","Chemical Science","2019","","","","","10.1039/C8SC05263H","","","0.71073","MoKα","","0.0619","0.043","","","0.103","0.1129","","","","","","1.025","","","","has coordinates","213520","2020-10-21","18:00:00",""
"1550571","21.1353","0.0004","9.1587","0.0002","16.9027","0.0003","90","","92.271","0.001","90","","3269.32","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 O4 -","- C16 H21 N3 O4 -","- C128 H168 N24 O32 -","8","2","","Saunthwal, Rakesh; Cornall, Matthew; Abrams, Roman; Ward, John; Clayden, Jonathan","Connective Synthesis of 5,5-Disubstituted Hydantoins by Tandem α-Amination and α-Arylation of Silyl Ketene Acetals","Chemical Science","2019","","","","","10.1039/C8SC05263H","","","0.71073","MoKα","","0.0511","0.0376","","","0.0859","0.0932","","","","","","1.021","","","","has coordinates","213520","2020-10-21","18:00:00",""
"1550572","10.9672","0.0009","12.007","0.0009","15.6024","0.0013","78.603","0.003","84.035","0.003","72.96","0.002","1923.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H112 N4 O21 Rh2 -","- C80 H112 N4 O21 Rh2 -","- C80 H112 N4 O21 Rh2 -","1","0.5","","Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard","Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts","Chemical Science","2019","","","","","10.1039/C8SC05733H","","","0.71073","MoKα","","0.0309","0.0248","","","0.0497","0.0514","","","","","","1.041","","","","has coordinates,has disorder","213521","2020-10-21","18:00:00",""
"1550573","13.4068","0.0004","14.036","0.0004","14.1837","0.0004","68.831","0.001","72.514","0.001","69.919","0.001","2289.69","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H128 N8 O18 Rh2 S6 -","- C88 H128 N8 O18 Rh2 S6 -","- C88 H128 N8 O18 Rh2 S6 -","1","0.5","","Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard","Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts","Chemical Science","2019","","","","","10.1039/C8SC05733H","","","0.71073","MoKα","","0.0505","0.036","","","0.0712","0.0757","","","","","","1.05","","","","has coordinates,has disorder","213521","2020-10-21","18:00:00",""
"1550574","14.0242","0.0009","14.3859","0.0009","17.8002","0.0011","89.158","0.002","89.755","0.002","62.152","0.002","3174.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H100 F24 N8 O16 Rh2 S4 -","- C88.0008 H100.002 F24 N8 O16.0004 Rh2 S4.0004 -","- C88.0008 H100.002 F24 N8 O16.0004 Rh2 S4.0004 -","1","0.5","","Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard","Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts","Chemical Science","2019","","","","","10.1039/C8SC05733H","","","0.71073","MoKα","","0.0409","0.0342","","","0.0799","0.0829","","","","","","1.067","","","","has coordinates,has disorder","213521","2020-10-21","18:00:00",""
"1550575","6.4762","0.0006","7.8291","0.0007","18.9197","0.0017","90","","92.615","0.003","90","","958.28","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O2 P -","- C22 H29 O2 P -","- C44 H58 O4 P2 -","2","1","","Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher","Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer","Chemical Science","2019","","","","","10.1039/C8SC05657A","","","0.71073","MoKα","","0.0539","0.0432","","","0.084","0.0875","","","","","","1.037","","","","has coordinates","213534","2020-10-21","18:00:00",""
"1550576","15.7335","0.0009","7.0904","0.0004","20.8392","0.0011","90","","105.282","0.002","90","","2242.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl3 O P Ru -","- C21 H28 Cl3 O P Ru -","- C84 H112 Cl12 O4 P4 Ru4 -","4","1","","Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher","Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer","Chemical Science","2019","","","","","10.1039/C8SC05657A","","","0.71073","MoKα","","0.0535","0.0482","","","0.1047","0.107","","","","","","1.257","","","","has coordinates","213534","2020-10-21","18:00:00",""
"1550577","18.5288","0.0017","14.5736","0.0014","19.2314","0.0018","90","","113.995","0.002","90","","4744.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Na O6 P -","- C21 H34 Na O6 P -","- C168 H272 Na8 O48 P8 -","8","2","","Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher","Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer","Chemical Science","2019","","","","","10.1039/C8SC05657A","","","0.71073","MoKα","","0.0502","0.0406","","","0.105","0.1137","","","","","","1.032","","","","has coordinates","213534","2020-10-21","18:00:00",""
"1550578","16.156","0.004","11.811","0.003","20.079","0.005","90","","93.63","0.03","90","","3823.8","1.7","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5,10-dimesityldiindeno[1,2-a:2',1'-i]phenanthrene","","- C52 H50 -","- C52 H50 -","- C208 H200 -","4","1","","Majewski, Marcin Aleksander; Chmielewski, Piotr Jan; Chien, Alan; Hong, Yongseok; Lis, Tadeusz; Witwicki, Maciej; Kim, Dongho; Zimmerman, Paul; Stępień, Marcin","5,10-Dimesityldiindeno[1,2-a:2',1'-i]phenanthrene: A Stable Biradicaloid Derived from Chichibabin’s Hydrocarbon","Chemical Science","2019","","","","","10.1039/C9SC00170K","","","0.71073","MoKα","","0.171","0.0825","","","0.1367","0.1761","","","","","","1.028","","","","has coordinates,has disorder","213535","2020-10-21","18:00:00",""
"1550579","17.66","0.002","17.66","0.002","13.5994","0.0011","90","","90","","120","","3673.1","0.7","213","2","213","2","","","","","","","","6","P 63","P 6c","173","","","","- C26 H24 Br N3 O3 S -","- C26 H24 Br N3 O3 S -","- C156 H144 Br6 N18 O18 S6 -","6","1","","JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine","Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines","Chemical Science","2019","","","","","10.1039/C8SC05581E","","","1.54187","CuKα","","0.1239","0.0556","","","0.0966","0.1477","","","","","","1.118","","","","has coordinates","213536","2020-10-21","18:00:00",""
"1550580","9.6687","0.0007","8.1636","0.0005","11.2423","0.0008","90","","104.07","0.007","90","","860.75","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H17 Br N2 O S -","- C18 H17 Br N2 O S -","- C36 H34 Br2 N4 O2 S2 -","2","1","","JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine","Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines","Chemical Science","2019","","","","","10.1039/C8SC05581E","","x-ray","0.71073","MoKα","","0.0544","0.0418","","","0.0829","0.0874","","","","","","1.024","","","","has coordinates","213536","2020-10-21","18:00:00",""
"1550581","30.382","0.007","30.382","0.007","14.976","0.003","90","","90","","120","","11972","5","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag N7 O13 -","- C18 H26 Ag N6 O10 -","- C270 H390 Ag15 N90 O150 -","15","5","","houlton, andrew; Mistry, Liam; El-Zubir, Osama; Horrocks, Ben R.; Dura, Gema; Clegg, William; Waddell, Paul G.; Hofer, Werner; pope, thomas; Wright, Nicholas","Addressing the Properties of “Metallo-DNA” with a Ag(I)-Mediated Supramolecular Duplex","Chemical Science","2019","","","","","10.1039/C8SC05103H","","","0.6889","synchrotron","","0.1248","0.0904","","","0.25","0.2777","","","","","","0.955","","","","has coordinates","213565","2020-10-21","18:00:00",""
"1550582","9.8225","0.0002","10.4555","0.0002","19.967","0.0004","90","","90","","90","","2050.59","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O -","- C23 H30 N2 O -","- C92 H120 N8 O4 -","4","1","","Vasu, Dhananjayan; Fuentes de Arriba, Angel L.; Leitch, Jamie; de Gombert, Antoine; Dixon, Darren","Primary α-Tertiary Amine Synthesis via α-C‒H Functionalization","Chemical Science","2019","","","","","10.1039/C8SC05164J","","","1.54184","CuKα","","0.0368","0.0339","","0.0866","0.084","0.0866","","","","","","1.0257","","","","has coordinates","213566","2020-10-21","18:00:00",""
"1550585","8.4135","0.0005","22.5714","0.0013","19.5667","0.0012","90","","95.368","0.001","90","","3699.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H24 F6 Ir N5 S2 -","- C43 H24 F6 Ir N5 S2 -","- C172 H96 F24 Ir4 N20 S8 -","4","1","","Lu, Guang-Zhao; Su, ning; Yang, Huiqing; Zhu, Qi; Zhang, Wen-Wei; Zheng, Youxuan; Zhou, Liang; Zuo, Jing-Lin; Chen, Zhao-Xu; Zhang, Hongjie","Rapid room temperature synthesis of red iridium(III) complexes containing four-membered Ir-S-C-S chelating ring for highly efficient OLEDs with EQE over 30%","Chemical Science","2019","","","","","10.1039/C8SC05605F","","","0.71073","MoKα","","0.0718","0.0386","","","0.0805","0.0993","","","","","","1.083","","","","has coordinates","213599","2020-10-21","18:00:00",""
"1550586","13.9038","0.0013","34.924","0.003","15.0724","0.0015","90","","92.347","0.002","90","","7312.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 F6 Ir N5 S2 -","- C37 H29.999 F6 Ir N5 S2 -","- C296 H239.992 F48 Ir8 N40 S16 -","8","2","","Lu, Guang-Zhao; Su, ning; Yang, Huiqing; Zhu, Qi; Zhang, Wen-Wei; Zheng, Youxuan; Zhou, Liang; Zuo, Jing-Lin; Chen, Zhao-Xu; Zhang, Hongjie","Rapid room temperature synthesis of red iridium(III) complexes containing four-membered Ir-S-C-S chelating ring for highly efficient OLEDs with EQE over 30%","Chemical Science","2019","","","","","10.1039/C8SC05605F","","","0.71073","MoKα","","0.0689","0.044","","","0.0995","0.1127","","","","","","1.022","","","","has coordinates,has disorder","213599","2020-10-21","18:00:00",""
"1550596","9.3465","0.0007","10.4901","0.0008","18.9441","0.0015","90","","90","","90","","1857.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Rezayee, Nomaan Mohammed; Lauridsen, Vibeke Henriette; Næsborg, Line; Nguyen, Thanh V. Q.; Tobiesen, Henriette Natorp; Jorgensen, Karl Anker","Oxidative Organocatalysed Enantioselective Coupling of Indoles with Aldehydes that Forms Quaternary Carbon Stereocentres","Chemical Science","2019","","","","","10.1039/C9SC00196D","","","0.56086","AgKα","","0.0237","0.0209","","","0.0493","0.05","","","","","","1.053","","","","has coordinates,has disorder","213628","2020-10-21","18:00:00",""
"1550599","12.9007","0.0013","14.8064","0.0014","18.5391","0.0016","89.44","0.006","81.175","0.005","87.749","0.006","3496.6","0.6","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H36 Cl4 N22 Ru2 -","- C64 H36 Cl4 N22 Ru2 -","- C128 H72 Cl8 N44 Ru4 -","2","1","","Archer, Stuart; Raza, Ahtasham; Dröge, Fabian; Robertson, Craig C.; Auty, Alexander J.; Chekulaev, Dimitri M.; Weinstein, Julia; Keane, Theo; Meijer, Anthony J. H. M.; Haycock, John; MacNeil, Sheila; Thomas, Jim A.","A dinuclear ruthenium(II) phototherapeutic that targets duplex and quadruplex DNA","Chemical Science","2019","","","","","10.1039/C8SC05084H","","","1.54178","CuKα","","0.1383","0.0927","","","0.225","0.2553","","","","","","1.042","","","","has coordinates,has disorder","213689","2020-10-21","18:00:00",""
"1550600","8.2234","0.0014","10.4654","0.0017","11.0901","0.0019","105.331","0.003","105.474","0.003","104.265","0.003","833.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Cl2 Ge2 N4 O2 -","- C30 H46 Cl2 Ge2 N4 O2 -","- C30 H46 Cl2 Ge2 N4 O2 -","1","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.036","0.0316","","","0.0776","0.0798","","","","","","1.049","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550601","9.571","0.004","13.665","0.007","15.943","0.007","90","","91.027","0.014","90","","2084.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Ge2 N6 O2 -","- C42 H58 Ge2 N6 O2 -","- C84 H116 Ge4 N12 O4 -","2","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0791","0.0554","","","0.1524","0.1912","","","","","","1.122","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550602","15.032","0.014","11.229","0.012","23.3","0.02","90","","104.94","0.04","90","","3800","6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 B F15 Ge N2 O S -","- C39 H28 B F15 Ge N2 O S -","- C156 H112 B4 F60 Ge4 N8 O4 S4 -","4","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0803","0.0493","","","0.1164","0.1338","","","","","","1.08","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550603","10.595","0.004","15.635","0.005","14.875","0.005","90","","92.261","0.006","90","","2462.2","1.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H70 Ge2 N6 O2 -","- C52 H70 Ge2 N6 O2 -","- C104 H140 Ge4 N12 O4 -","2","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.07","0.0454","","","0.0923","0.0992","","","","","","0.937","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550604","12.501","0.003","12.739","0.003","15.229","0.004","97.161","0.008","106.18","0.008","115.904","0.007","2008.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H30 B Cl2 F15 Ge N2 O -","- C40 H30 B Cl2 F15 Ge N2 O -","- C80 H60 B2 Cl4 F30 Ge2 N4 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0498","0.0434","","","0.112","0.1187","","","","","","0.824","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550605","11.7566","0.0013","13.7449","0.0015","13.7689","0.0015","65.642","0.003","74.276","0.003","74.609","0.003","1920.9","0.4","104","2","104.33","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H30 B Cl F15 Ge N2 O -","- C42 H30 B Cl F15 Ge N2 O -","- C84 H60 B2 Cl2 F30 Ge2 N4 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0643","0.0517","","","0.122","0.1307","","","","","","1.053","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550606","11.6826","0.0007","12.4053","0.0008","17.1901","0.0011","83.572","0.002","87.402","0.002","73.342","0.002","2371.5","0.3","103","2","102.71","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H41 B F15 Ge N3 O Si2 -","- C39 H41 B F15 Ge N3 O Si2 -","- C78 H82 B2 F30 Ge2 N6 O2 Si4 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0617","0.048","","","0.1174","0.1253","","","","","","1.022","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550607","11.7309","0.0018","13.344","0.002","13.627","0.002","62.827","0.003","73.967","0.003","81.201","0.003","1823","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H25 B Cl3 F15 Ge N2 O -","- C34 H25 B Cl3 F15 Ge N2 O -","- C68 H50 B2 Cl6 F30 Ge2 N4 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.058","0.0463","","","0.1182","0.1384","","","","","","1.086","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550608","12.1298","0.0009","15.8356","0.0012","19.4206","0.0015","90","","90","","90","","3730.4","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 B Cl2 F15 Ge N2 O -","- C35 H28 B Cl2 F15 Ge N2 O -","- C140 H112 B4 Cl8 F60 Ge4 N8 O4 -","4","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0446","0.0373","","","0.0892","0.0932","","","","","","1.069","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550609","12.9207","0.001","12.9316","0.0011","14.5928","0.0012","69.991","0.001","89.472","0.002","71.225","0.001","2155.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H62 Ge2 N6 O2 -","- C44 H62 Ge2 N6 O2 -","- C88 H124 Ge4 N12 O4 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0349","0.0289","","","0.0807","0.0943","","","","","","1.11","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550610","12.436","0.002","12.462","0.002","15.186","0.003","106.723","0.004","96.368","0.003","115.028","0.003","1967.5","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H29 B Cl2 F15 Ge N3 O -","- C38 H29 B Cl2 F15 Ge N3 O -","- C76 H58 B2 Cl4 F30 Ge2 N6 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0897","0.056","","","0.1319","0.15","","","","","","0.974","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550611","11.625","0.0011","15.0956","0.0014","15.2052","0.0014","82.564","0.002","69.443","0.002","69.839","0.001","2345.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H38 B F15 Ge N2 O2 Si -","- C51 H38 B F15 Ge N2 O2 Si -","- C102 H76 B2 F30 Ge2 N4 O4 Si2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0389","0.0332","","","0.0969","0.1169","","","","","","1.189","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550612","11.415","0.003","38.762","0.014","17.556","0.006","90","","96.277","0.008","90","","7721","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 B F15 Ge N2 O2 -","- C37 H32 B F15 Ge N2 O2 -","- C296 H256 B8 F120 Ge8 N16 O16 -","8","2","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.1042","0.056","","","0.0962","0.1068","","","","","","1.047","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550613","10.7104","0.0004","13.0233","0.0005","20.6386","0.0008","87.872","0.002","83.02","0.002","65.815","0.002","2606.38","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61.5 F0.5 N3 P2 -","- C57 H59 N3 P2 -","- C114 H118 N6 P4 -","2","1","","Schulz, Axel; Bresien, Jonas; Kroeger-Badge, Thomas; Lochbrunner, Stefan; Michalik, Dirk; Müller, Henrik; Zander, Edgar","A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls","Chemical Science","2019","","","","","10.1039/C8SC04893B","","","0.71073","MoKα","","0.0654","0.0456","","","0.1139","0.1296","","","","","","1.045","","","","has coordinates","213692","2020-10-21","18:00:00",""
"1550614","10.5944","0.0006","12.9038","0.0008","20.3409","0.0013","85.38","0.002","82.564","0.002","66.245","0.002","2522.5","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61.5 F0.5 N3 P2 -","- C60 H61.5 F0.5 N3 P2 -","- C120 H123 F N6 P4 -","2","1","","Schulz, Axel; Bresien, Jonas; Kroeger-Badge, Thomas; Lochbrunner, Stefan; Michalik, Dirk; Müller, Henrik; Zander, Edgar","A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls","Chemical Science","2019","","","","","10.1039/C8SC04893B","","","0.71073","MoKα","","0.0763","0.0473","","","0.0998","0.1117","","","","","","1.024","","","","has coordinates,has disorder","213692","2020-10-21","18:00:00",""
"1550615","14.21","0.003","28.1537","0.0019","27.91","0.003","90","","104.632","0.008","90","","10804","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H162 K N O24 Si6 U2 -","- C72 H162 K N O24 Si6 U2 -","- C288 H648 K4 N4 O96 Si24 U8 -","4","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","","0.71073","MoKα","","0.1292","0.0686","","","0.133","0.1623","","","","","","1.111","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550616","13.9377","0.0005","17.9175","0.0005","22.0849","0.0006","90","","92.306","0.003","90","","5510.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O26 Si6 U2 -","- C73 H162 K2 N2 O26 Si6 U2 -","- C146 H324 K4 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","1.54184","CuKα","","0.0857","0.064","","","0.1592","0.1724","","","","","","1.017","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550617","13.9065","0.0004","18.2338","0.0007","22.181","0.0009","90","","92.45","0.004","90","","5619.3","0.4","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C146 H324 K4 N4 O48 S4 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","1.54184","CuKα","","0.1313","0.0772","","","0.1898","0.2164","","","","","","1.074","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550618","13.9927","0.0015","18.2874","0.0012","22.208","0.002","90","","93.321","0.007","90","","5673.3","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H170 K2 N2 O26 Si6 U2 -","- C81 H170 K2 N2 O26 Si6 U2 -","- C162 H340 K4 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","","0.71073","MoKα","","0.0717","0.0511","","","0.1029","0.1128","","","","","","1.067","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550619","14.4207","0.0004","17.5321","0.0005","21.9098","0.0006","90","","91.84","0.003","90","","5536.5","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H172 K2 N2 O24 Si6 U2 -","- C79 H172 K2 N2 O24 Si6 U2 -","- C158 H344 K4 N4 O48 Si12 U4 -","2","0.5","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","0.71073","MoKα","","0.0695","0.039","","","0.0824","0.0983","","","","","","1.06","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550620","14.382","0.002","17.661","0.003","21.819","0.004","90","","92.012","0.009","90","","5538.6","1.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 K2 N4 O24 Si6 U2 -","- C72 H162 K2 N4 O24 Si6 U2 -","- C144 H324 K4 N8 O48 Si12 U4 -","2","0.5","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","","0.71073","MoKα","","0.117","0.0592","","","0.1241","0.1665","","","","","","1.135","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550622","9.973","0.0002","10.483","0.0002","19.394","0.0005","88.696","0.001","79.354","0.001","62.57","0.001","1764.13","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H21 F20 O3 P -","- C36 H21 F20 O3 P -","- C72 H42 F40 O6 P2 -","2","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71069","MoKα","","0.1066","0.0935","","","0.2444","0.2661","","","","","","1.045","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550623","39.273","0.0006","9.553","0.0001","26.355","0.0007","90","","127.505","0.005","90","","7843.9","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H23 Cl2 F20 O3 P -","- C37 H23 Cl2 F20 O3 P -","- C296 H184 Cl16 F160 O24 P8 -","8","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71069","MoKα","","0.1034","0.0678","","","0.2003","0.2239","","","","","","1.105","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550624","11.03","0.002","12.802","0.003","23.276","0.005","105.47","0.002","92.07","0.003","96.064","0.003","3142.8","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 F20 K O11 P -","- C56 H60 F20 K O11 P -","- C112 H120 F40 K2 O22 P2 -","2","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71073","MoKα","","0.0895","0.0763","","","0.2252","0.2361","","","","","","1.065","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550625","18.972","0.004","13.493","0.003","19.631","0.004","90","","111.443","0.003","90","","4677.5","1.7","173","","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 F20 K O5 P -","- C44 H36 F20 K O5 P -","- C176 H144 F80 K4 O20 P4 -","4","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71073","MoKα","","0.1152","0.0927","","","0.2534","0.2786","","","","","","1.029","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550626","15.552","0.003","13.58","0.003","28.022","0.006","90","","95.733","0.003","90","","5889","2","173","","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 F12 K O12 P -","- C56 H68 F12 K O12 P -","- C224 H272 F48 K4 O48 P4 -","4","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71073","MoKα","","0.181","0.0894","","","0.1976","0.2411","","","","","","1.033","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550627","10.8484","0.0004","11.0591","0.0005","15.2489","0.0006","76.98","0.004","84.293","0.003","86.909","0.003","1772.66","0.13","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H46 O4 -","- C44 H46 O4 -","- C88 H92 O8 -","2","1","","Ye, Changqing; Li, Yajun; Zhu, Xiaotao; Hu, Shengmin; Yuan, Daqiang; Bao, Hongli","Copper-Catalyzed 1,4-Alkylarylation of 1,3-Enynes with Masked Alkyl Electrophiles","Chemical Science","2019","","","","","10.1039/C8SC05689G","","","1.3405","GaKα","","0.0516","0.0449","","","0.1234","0.1283","","","","","","1.085","","","","has coordinates","213712","2020-10-21","18:00:00",""
"1550629","17.5522","0.0006","21.2914","0.0007","35.9929","0.0011","90","","90","","90","","13450.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148.57 H175.16 B6 Cl5.16 Fe N10 -","- C148.574 H175.16 B6 Cl5.16 Fe N10 -","- C594.296 H700.64 B24 Cl20.64 Fe4 N40 -","4","1","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","1.54178","CuKα","","0.1439","0.1006","","","0.2528","0.289","","","","","","1.024","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550630","16.3801","0.0006","15.2273","0.0006","22.2072","0.0009","90","","92.0316","0.0014","90","","5535.5","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H99 Fe N13 O5 -","- C44 H99 Fe N13 O5 -","- C176 H396 Fe4 N52 O20 -","4","1","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","0.71073","MoKα","","0.0767","0.0621","","","0.1517","0.1605","","","","","","1.041","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550631","19.29","0.004","19.912","0.004","20.432","0.004","65.073","0.006","68.449","0.019","80.849","0.006","6619","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C263.25 H130.49 B6 Cl10.49 F90 Fe N10 P8 -","- C263.244 H130.488 B6 Cl10.488 F90 Fe N10 P8 -","- C263.244 H130.488 B6 Cl10.488 F90 Fe N10 P8 -","1","0.5","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","1.54178","CuKα","","0.0915","0.0743","","","0.2117","0.2272","","","","","","1.058","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550636","9.4189","0.0008","10.3506","0.0009","22.444","0.0018","91.428","0.007","100.894","0.007","99.001","0.007","2118.9","0.3","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 As2 F12 Fe N10 -","- C30 H46 As2 F12 Fe N10 -","- C60 H92 As4 F24 Fe2 N20 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71069","MoKα","","0.1414","0.0646","","","0.147","0.1906","","","","","","1.025","","","","has coordinates","213799","2020-10-21","18:00:00",""
"1550637","9.411","0.003","10.309","0.003","22.379","0.005","91.52","0.011","100.995","0.012","98.955","0.016","2101.8","1","230","2","229.99","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 As1.44 F12 Fe N10 P0.56 -","- C30 H48 As1.445 F12 Fe N10 P0.555 -","- C60 H96 As2.89 F24 Fe2 N20 P1.11 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71073","MoKα","","0.0851","0.0557","","","0.1388","0.156","","","","","","1.039","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550638","9.2858","0.0005","10.409","0.0006","22.2722","0.0015","83.796","0.005","78.275","0.005","81.416","0.005","2077.5","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C60 H96 As2.84 F24 Fe2 N20 P1.16 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","x-ray","0.71073","MoKα","","0.083","0.0516","","","0.0969","0.114","","","","","","1.04","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550639","9.614","0.0007","10.2571","0.0006","21.9999","0.0013","91.522","0.005","96.193","0.006","98.456","0.006","2131.4","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 As2 F12 Fe N10 -","- C30 H48 As2 F12 Fe N10 -","- C60 H96 As4 F24 Fe2 N20 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71069","MoKα","","0.2345","0.0903","","","0.2341","0.3306","","","","","","0.946","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550640","9.3885","0.0005","10.2632","0.0004","22.273","0.0008","91.779","0.003","101.106","0.004","98.904","0.004","2076.46","0.16","230","1","230","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71073","MoKα","","0.1461","0.0806","","","0.2111","0.2772","","","","","","0.927","","","","has coordinates","213799","2020-10-21","18:00:00",""
"1550641","9.1245","0.0003","10.515","0.0002","21.6376","0.0004","83.769","0.002","78.852","0.002","81.928","0.002","2009.56","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 N10 Ni P2 -","- C30 H48 F12 N10 Ni P2 -","- C60 H96 F24 N20 Ni2 P4 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71073","MoKα","","0.0614","0.0416","","","0.0779","0.0887","","","","","","1.038","","","","has coordinates","213799","2020-10-21","18:00:00",""
"1550642","9.588","0.003","10.0652","0.0019","21.074","0.004","93.89","0.017","93.68","0.02","100.469","0.019","1989.2","0.8","157","0.1","157","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C60 H96 As2.84 F24 Fe2 N20 P1.16 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","x-ray","0.71073","MoKα","","0.2789","0.1247","","","0.2859","0.3885","","","","","","1.008","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550643","19.92637","0.00017","6.63771","0.00005","13.28322","0.00011","90","","96.4721","0.0008","90","","1745.71","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O S -","- C23 H17 N O S -","- C92 H68 N4 O4 S4 -","4","1","","Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong","Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy","Chemical Science","2019","","","","","10.1039/C8SC05805A","","x-ray","1.54184","CuKα","","0.0363","0.0358","","","0.0988","0.0995","","","","","","1.004","","","","has coordinates","213800","2020-10-21","18:00:00",""
"1550644","9.89163","0.00018","19.5816","0.0003","10.94012","0.00019","90","","107.593","0.0019","90","","2019.92","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C100 H84 N4 O12 S4 -","4","1","","Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong","Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy","Chemical Science","2019","","","","","10.1039/C8SC05805A","","x-ray","1.54184","CuKα","","0.0363","0.0325","","","0.0886","0.0919","","","","","","1.007","","","","has coordinates,has disorder","213800","2020-10-21","18:00:00",""
"1550650","23.5427","0.0014","23.5427","0.0014","6.9458","0.0008","90","","90","","120","","3334","0.5","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ge Na2 S4 Sr -","- Ge Na2 S4 Sr -","- Ge18 Na36 S72 Sr18 -","18","1","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0335","0.0318","","","0.0895","0.0901","","","","","","1.088","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550651","6.542","0.0015","6.542","0.0015","7.751","0.003","90","","90","","90","","331.73","0.17","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ge Li2 S4 Sr -","- Ge Li2 S4 Sr -","- Ge2 Li4 S8 Sr2 -","2","0.125","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0225","0.0225","","","0.0563","0.0563","","","","","","1.295","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550652","23.838","0.004","23.838","0.004","7.115","0.002","90","","90","","120","","3501.4","1.3","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Na2 S4 Sn Sr -","- Na2 S4 Sn Sr -","- Na36 S72 Sn18 Sr18 -","18","1","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0363","0.0351","","","0.0948","0.0955","","","","","","1.101","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550653","6.659","0.005","6.659","0.005","7.918","0.012","90","","90","","90","","351.1","0.6","296","2","296","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Li2 S4 Sn Sr -","- Li2 S4 Sn Sr -","- Li4 S8 Sn2 Sr2 -","2","0.125","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.01","0.0099","","","0.0224","0.0224","","","","","","0.802","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550654","9.0363","0.0006","20.0218","0.0013","21.2177","0.0015","90","","90","","90","","3838.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H56 Cl9 Mn2 N5 O6 -","- C22 H56 Cl9 Mn2 N5 O6 -","- C88 H224 Cl36 Mn8 N20 O24 -","4","1","","Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan","Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals","Chemical Science","2019","","","","","10.1039/C8SC04711A","","","0.71073","MoKα","","0.0517","0.0401","","","0.0768","0.0793","","","","","","0.971","","","","has coordinates","213841","2020-10-21","18:00:00",""
"1550655","6.544","0.0002","16.1548","0.0004","14.6769","0.0004","90","","95.619","0.003","90","","1544.14","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Mn N2 O2 -","- C8 H20 Cl4 Mn N2 O2 -","- C32 H80 Cl16 Mn4 N8 O8 -","4","1","","Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan","Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals","Chemical Science","2019","","","","","10.1039/C8SC04711A","","","0.71073","MoKα","","0.0254","0.0225","","","0.0572","0.0584","","","","","","1.068","","","","has coordinates","213841","2020-10-21","18:00:00",""
"1550656","8.2031","0.0002","16.729","0.0004","19.7339","0.0005","90","","90","","90","","2708.08","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 Cl2 -","- C37 H26 Cl2 -","- C148 H104 Cl8 -","4","1","","Lovell, Terri Christine; Colwell, Curtis Eugene; Zakharov, Lev; Jasti, Ramesh","Symmetry Breaking and the Turn-On Fluorescence of Small, Highly Strained Carbon Nanohoops","Chemical Science","2019","","","","","10.1039/C9SC00169G","","","1.54178","CuKα","","0.0342","0.0318","","","0.0792","0.0808","","","","","","1.051","","","","has coordinates","213842","2020-10-21","18:00:00",""
"1550657","10.6917","0.0002","22.9933","0.0005","10.4658","0.0002","90","","112.22","0.001","90","","2381.82","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O -","- C29 H31 N O -","- C116 H124 N4 O4 -","4","1","","Bai, Da-Chang; xia, jintao; song, fangfang; li, xueyan; Liu, Bingxian; liu, lihong; zheng, guangfan; Yang, Xifa; Sun, Jiaqiong; Li, Xingwei","Rhodium(III)-Catalyzed Diverse [4+1] Annulation of Arenes with 1,3-Enynes via sp3/sp2 C-H Activation and 1,4-Rhodium Migration","Chemical Science","2019","","","","","10.1039/C9SC00545E","","","1.54178","CuKα","","0.0889","0.075","","","0.1954","0.2129","","","","","","1.063","","","","has coordinates","213862","2020-10-21","18:00:00",""
"1550658","8.9088","0.0001","16.7762","0.0003","13.3993","0.0002","90","","101.004","0.001","90","","1965.78","0.05","296.6","0.4","296.6","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F6 N P -","- C20 H20 F6 N P -","- C80 H80 F24 N4 P4 -","4","1","","Bai, Da-Chang; xia, jintao; song, fangfang; li, xueyan; Liu, Bingxian; liu, lihong; zheng, guangfan; Yang, Xifa; Sun, Jiaqiong; Li, Xingwei","Rhodium(III)-Catalyzed Diverse [4+1] Annulation of Arenes with 1,3-Enynes via sp3/sp2 C-H Activation and 1,4-Rhodium Migration","Chemical Science","2019","","","","","10.1039/C9SC00545E","","x-ray","1.54184","CuKα","","0.0801","0.072","","","0.2065","0.2163","","","","","","1.06","","","","has coordinates","213862","2020-10-21","18:00:00",""
"1550659","16.2073","0.0006","16.4367","0.0005","24.593","0.0008","87.881","0.002","87.409","0.002","77.762","0.002","6393.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C137 H128 Cl3 N9 O2 Zn -","- C137 H128 Cl3 N9 O2 Zn -","- C274 H256 Cl6 N18 O4 Zn2 -","2","1","","Wolf, Maximilian; Ogawa, Ayumu; Bechtold, Mareike; Vonesch, Maxime; Wytko, Jennifer; Oohora, Koji; Campidelli, Stephane; Hayashi, Takashi; Guldi, Dirk M.; Weiss, Jean","Light Triggers Molecular Shuttling in Rotaxanes: Control over Proximity and Charge Recombination","Chemical Science","2019","","","","","10.1039/C8SC05328F","","","1.54178","CuKα","","0.1155","0.0784","","","0.2184","0.2561","","","","","","1.039","","","","has coordinates,has disorder","213887","2020-10-21","18:00:00",""
"1550665","10.0867","0.0001","15.69","0.0002","15.2941","0.0002","90","","105.464","0.001","90","","2332.82","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C83 H99 Mn4 N13 O25 -","- C83 H99 Mn4 N13 O25 -","- C83 H99 Mn4 N13 O25 -","1","0.5","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0473","0.0464","","","0.1312","0.1321","","","","","","1.057","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550666","18.6355","0.0007","18.6355","0.0007","34.4019","0.0012","90","","90","","120","","10346.5","0.7","173.01","0.1","173.01","0.1","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C14 H9 Cu N O4 -","- C14 H9 Cu N O4 -","- C252 H162 Cu18 N18 O72 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54184","CuKα","","0.0408","0.0381","","","0.1216","0.1244","","","","","","1.086","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550667","35.346","0.002","18.477","0.004","18.0998","0.0012","90","","92.956","0.007","90","","11805","3","173","0.1","173","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H22 N2 O16 Zr3 -","- C40 H22 N2 O16 Zr3 -","- C160 H88 N8 O64 Zr12 -","4","0.5","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1846","0.1305","","","0.3114","0.3681","","","","","","0.927","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550668","40.4997","0.0004","40.4997","0.0004","16.9534","0.0004","90","","90","","90","","27807.4","0.8","173","2","173","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C24 H13 B3 Hf3 O20 -","- C24 H13 B3 Hf3 O20 -","- C384 H208 B48 Hf48 O320 -","16","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0673","0.0593","","","0.1742","0.1842","","","","","","1.074","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550669","19.225","0.002","19.225","0.002","19.225","0.002","90","","90","","90","","7105.6","1.3","173.01","0.1","173.01","0.1","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C57 H12 N6 O38 Zr6 -","- C57 H12 N6 O38 Zr6 -","- C114 H24 N12 O76 Zr12 -","2","0.0208333","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1529","0.1155","","","0.3515","0.4127","","","","","","1.116","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550670","7.6897","0.0003","8.7992","0.0003","12.7198","0.0004","87.203","0.003","74.302","0.003","76.159","0.003","804.39","0.05","292.5","0.4","292.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N O5 -","- C14 H11 Cd N O5 -","- C28 H22 Cd2 N2 O10 -","2","1","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0356","0.0327","","","0.0836","0.086","","","","","","1.046","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550671","40.5746","0.0008","40.5746","0.0008","17.0198","0.0004","90","","90","","90","","28019.7","1","173","0.1","173","0.1","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C24 H13 B3 O20 Zr3 -","- C24 H13 B3 O20 Zr3 -","- C384 H208 B48 O320 Zr48 -","16","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1378","0.1028","","","0.2872","0.3466","","","","","","1.158","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550672","18.4038","0.0008","18.4038","0.0008","34.5026","0.0019","90","","90","","120","","10120.4","0.8","150","0.1","150","0.1","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C14 H9 N O4 Zn -","- C14 H9 N O4 Zn -","- C252 H162 N18 O72 Zn18 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54184","CuKα","","0.0645","0.0602","","","0.1639","0.1673","","","","","","1.088","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550673","32.872","0.002","19.2171","0.0007","32.4","0.003","90","","105.239","0.009","90","","19748","2","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C160 H96 Cd7 N8 O48 -","- C160 H92 Cd7 N8 O48 -","- C640 H368 Cd28 N32 O192 -","4","0.5","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1747","0.1068","","","0.2963","0.3422","","","","","","0.909","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550674","32.0315","0.0003","28.2049","0.0003","19.86","0.0002","90","","90","","90","","17942.4","0.3","243","2","243","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H22 In N2 O8 -","- C40 H22 In N2 O8 -","- C320 H176 In8 N16 O64 -","8","1","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0804","0.0706","","","0.2197","0.2308","","","","","","1.031","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550675","54.3601","0.001","54.3601","0.001","42.0659","0.0013","90","","90","","120","","107652","4","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C80 H44 N4 O24 Zn5 -","- C80 H44 N4 O24 Zn5 -","- C1440 H792 N72 O432 Zn90 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.146","0.0938","","","0.2655","0.3082","","","","","","1.001","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550676","8.2322","0.0009","16.009","0.0015","30.617","0.003","90","","90","","90","","4035","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H26 F3 N O3 S -","- C18 H26 F3 N O3 S -","- C144 H208 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.0742","0.057","","","0.1583","0.1716","","","","","","1.095","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550677","33.4373","0.0011","8.2621","0.0002","15.8008","0.0006","90","","93.54","0.003","90","","4356.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 F3 N O3 S -","- C20 H30 F3 N O3 S -","- C160 H240 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.068","0.0588","","","0.1463","0.1517","","","","","","1.103","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550678","15.176","0.0014","15.7667","0.0014","12.417","0.0009","90","","96.938","0.008","90","","2949.3","0.4","120.01","0.02","120.01","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 N2 -","- C34 H52 N2 -","- C136 H208 N8 -","4","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.1182","0.0907","","","0.2111","0.2237","","","","","","1.039","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550679","34.1987","0.0012","8.2153","0.0003","15.7716","0.0006","90","","101.86","0.004","90","","4336.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 F3 N O3 S -","- C19 H28 F3 N O3 S -","- C152 H224 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.0467","0.0407","","","0.105","0.1087","","","","","","1.057","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550680","18.9188","0.0012","10.3807","0.0006","35.7997","0.0016","90","","97.509","0.004","90","","6970.4","0.7","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C138 H202 F19 N6 O18 S6 -","- C138 H202 F19 N6 O18 S6 -","- C276 H404 F38 N12 O36 S12 -","2","0.25","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.1916","0.159","","","0.3767","0.396","","","","","","1.173","","","","has coordinates,has disorder","213904","2020-10-21","18:00:00",""
"1550681","15.1161","0.0005","9.3373","0.0003","18.4406","0.0007","90","","110.474","0.0012","90","","2438.36","0.15","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Bi F3 N3 O4 S -","- C24 H19 Bi F3 N3 O4 S -","- C96 H76 Bi4 F12 N12 O16 S4 -","4","1","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0482","0.0303","","","0.0609","0.0664","","","","","","0.99","","","","has coordinates","213905","2020-10-21","18:00:00",""
"1550682","11.2452","0.0006","16.0336","0.0007","19.9108","0.0011","90","","96.575","0.002","90","","3566.3","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Bi F3 N5 O3 S -","- C37 H33 Bi F3 N5 O3 S -","- C148 H132 Bi4 F12 N20 O12 S4 -","4","1","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0361","0.0316","","","0.0673","0.0687","","","","","","1.221","","","","has coordinates,has disorder","213905","2020-10-21","18:00:00",""
"1550683","17.7873","0.0009","19.5468","0.001","17.094","0.0008","90","","108.196","0.0013","90","","5646.1","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H24.5 Bi F3 N4.5 O3 S -","- C27.5 H24.5 Bi F3 N4.5 O3 S -","- C220 H196 Bi8 F24 N36 O24 S8 -","8","2","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0268","0.0202","","","0.0424","0.0444","","","","","","0.993","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1550684","10.527","0.003","27.102","0.011","11.87","0.004","90","","91.991","0.015","90","","3384","2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.51 H35.44 Bi F3 N4.51 O3.49 S -","- C32.512 H35.44 Bi F3 N4.512 O3.488 S -","- C130.048 H141.76 Bi4 F12 N18.048 O13.952 S4 -","4","1","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0303","0.0214","","","0.0487","0.0518","","","","","","0.942","","","","has coordinates,has disorder","213905","2020-10-21","18:00:00",""
"1550685","14.1458","0.0006","13.4627","0.0004","22.3724","0.0006","90","","107.134","0.004","90","","4071.5","0.3","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","M4-008","","- C108 H86 -","- C108 H86 -","- C216 H172 -","2","0.5","","Ma, Ji; Zhang, Ke; Schellhammer, Karl Sebastian; Fu, Yubin; Komber, Hartmut; Xu, Chi; Popov, Alexey A.; Hennersdorf, Felix; Weigand, Jan J.; Zhou, Shengqiang; Pisula, Wojciech; Ortmann, Frank; Berger, Reinhard Franz Josef; Liu, Junzhi; Feng, Xinliang","Wavy-shaped Polycyclic Hydrocarbons with Controlled Aromaticity","Chemical Science","2019","","","","","10.1039/C8SC05416A","","x-ray","1.54184","CuKα","","0.0839","0.0618","","","0.1698","0.1881","","","","","","1.039","","","","has coordinates","213906","2020-10-21","18:00:00",""
"1550686","31.3411","0.0008","28.1487","0.0006","24.341","0.0007","90","","107.002","0.003","90","","20535.4","1","100","0.1","100","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","9","M4A-008","","- C108 H90 -","- C108 H90 -","- C864 H720 -","8","1","","Ma, Ji; Zhang, Ke; Schellhammer, Karl Sebastian; Fu, Yubin; Komber, Hartmut; Xu, Chi; Popov, Alexey A.; Hennersdorf, Felix; Weigand, Jan J.; Zhou, Shengqiang; Pisula, Wojciech; Ortmann, Frank; Berger, Reinhard Franz Josef; Liu, Junzhi; Feng, Xinliang","Wavy-shaped Polycyclic Hydrocarbons with Controlled Aromaticity","Chemical Science","2019","","","","","10.1039/C8SC05416A","","x-ray","1.54184","CuKα","","0.1683","0.1246","","","0.2951","0.3349","","","","","","0.855","","","","has coordinates,has disorder","213906","2020-10-21","18:00:00",""
"1550689","23.5746","0.0011","18.8529","0.0006","22.1333","0.0006","90","","90","","90","","9837.1","0.6","296","2","296","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C49 H62 B11 N -","- C49 H62 B11 N -","- C392 H496 B88 N8 -","8","0.5","","Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon","Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes","Chemical Science","2019","","","","","10.1039/C9SC00078J","","","1.34139","GaKα","","0.1178","0.0839","","","0.2304","0.2591","","","","","","1.037","","","","has coordinates,has disorder","213941","2020-10-21","18:00:00",""
"1550690","8.7468","0.0009","10.0535","0.0007","26.411","0.003","90","","95.913","0.008","90","","2310.1","0.4","293","2","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H25 B11 Br N3 O2 Pd -","- C9 H25 B11 Br N3 O2 Pd -","- C36 H100 B44 Br4 N12 O8 Pd4 -","4","1","","Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon","Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes","Chemical Science","2019","","","","","10.1039/C9SC00078J","","","0.71073","MoKα","","0.129","0.0974","","","0.2335","0.2545","","","","","","1.054","","","","has coordinates","213941","2020-10-21","18:00:00",""
"1550691","11.9981","0.0003","20.7041","0.0004","21.3976","0.0004","90","","92.91","0.001","90","","5308.52","0.19","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H68 B11 N O3 -","- C53 H68 B11 N O3 -","- C212 H272 B44 N4 O12 -","4","1","","Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon","Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes","Chemical Science","2019","","","","","10.1039/C9SC00078J","","","1.34139","GaKα","","0.1609","0.0991","","","0.2591","0.3133","","","","","","1.03","","","","has coordinates,has disorder","213941","2020-10-21","18:00:00",""
"1550692","6.2237","0.0015","10.551","0.003","12.693","0.003","98.868","0.004","99.615","0.004","106.235","0.004","771.1","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C30 H30 N2 O10 S2 -","2","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0723","0.0526","","","0.1304","0.1423","","","","","","1.032","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550693","28.7","0.004","28.7","0.004","11.8086","0.0019","90","","90","","120","","8424","2","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C17 H14 N2 O2 S2 -","- C17 H14 N2 O2 S2 -","- C306 H252 N36 O36 S36 -","18","","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.078","0.0468","","","0.1087","0.124","","","","","","1.021","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550694","11.4238","0.0013","20.241","0.002","13.3064","0.0014","90","","115.3","0.002","90","","2781.7","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 I N4 O S2 -","- C28 H27 I N4 O S2 -","- C112 H108 I4 N16 O4 S8 -","4","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0932","0.0505","","","0.1276","0.1571","","","","","","1.022","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550695","6.515","0.008","11.778","0.016","22.99","0.03","90","","99.01","0.04","90","","1742","4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O3 S2 -","- C19 H14 N2 O3 S2 -","- C76 H56 N8 O12 S8 -","4","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.1968","0.0629","","","0.1221","0.1693","","","","","","0.823","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550696","13.4772","0.0013","20.032","0.002","20.904","0.002","90","","90","","90","","5643.6","1","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 I N3 O S2 -","- C25 H24 I N3 O S2 -","- C200 H192 I8 N24 O8 S16 -","8","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0843","0.0535","","","0.1346","0.1523","","","","","","1.04","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550697","7.2725","0.0011","10.5716","0.0017","10.5761","0.0016","88.06","0.002","74.048","0.002","70.689","0.002","736.4","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 I N O -","- C15 H16 I N O -","- C30 H32 I2 N2 O2 -","2","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0382","0.0319","","","0.0764","0.0798","","","","","","1.034","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550698","8.087","0.002","9.953","0.003","12.356","0.005","111.892","0.006","94.737","0.006","110.387","0.004","838.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O4 S -","- C19 H14 N2 O4 S -","- C38 H28 N4 O8 S2 -","2","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0797","0.0493","","","0.1173","0.1359","","","","","","1.011","","","","has coordinates,has disorder","213943","2020-10-21","18:00:00",""
"1550699","11.9911","0.0019","16.171","0.003","11.1317","0.0018","90","","117.048","0.003","90","","1922.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C72 H64 N8 O8 S8 -","4","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0815","0.0498","","","0.1165","0.1313","","","","","","1.021","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550700","7.806","0.002","12.459","0.004","17.312","0.005","85.886","0.006","89.534","0.006","76.326","0.005","1631.7","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O4 S -","- C19 H14 N2 O4 S -","- C76 H56 N8 O16 S4 -","4","2","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.1295","0.0642","","","0.1271","0.1592","","","","","","0.961","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550701","9.6491","0.0007","12.1125","0.0009","9.7759","0.0006","90","","117.882","0.002","90","","1009.92","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C44 H38 Br2 N4 O6 -","2","1","","Putatunda, Salil; Alegre-Requena, Juan V; Meazza, Marta; Franc, Michael; Rohalova, Dominika; Vemuri, Pooja Y.; Císařová, Ivana; Herrera, Raquel P.; Rios, Ramon; Vesely, Jan","Proline Bulky Substituents Consecutively Act as Steric Hindrances and Directing Groups in a Michael/Conia-Ene Cascade Reaction under Synergistic Catalysis","Chemical Science","2019","","","","","10.1039/C8SC05258A","","","0.71073","MoKα","","0.0354","0.0289","","","0.0629","0.065","","","","","","1.072","","","","has coordinates","213944","2020-10-21","18:00:00",""
"1550702","10.3176","0.0003","10.5583","0.0003","18.2395","0.0005","90","","90","","90","","1986.94","0.1","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C88 H76 Br4 N8 O12 -","4","1","","Putatunda, Salil; Alegre-Requena, Juan V; Meazza, Marta; Franc, Michael; Rohalova, Dominika; Vemuri, Pooja Y.; Císařová, Ivana; Herrera, Raquel P.; Rios, Ramon; Vesely, Jan","Proline Bulky Substituents Consecutively Act as Steric Hindrances and Directing Groups in a Michael/Conia-Ene Cascade Reaction under Synergistic Catalysis","Chemical Science","2019","","","","","10.1039/C8SC05258A","","","0.71073","MoKα","","0.0254","0.0225","","","0.0549","0.0561","","","","","","1.054","","","","has coordinates","213944","2020-10-21","18:00:00",""
"1550706","30.32","0.003","22.277","0.002","44.399","0.004","90","","104.461","0.0014","90","","29039","5","100","2","100","2","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C452.15 H656.6 Cl6.5 K2 N86 O94 Si16 -","- C452.15 H656.6 Cl6.5 K2 N86 O94 Si16 -","- C904.3 H1313.2 Cl13 K4 N172 O188 Si32 -","2","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.44281","synchrotron","","0.1101","0.0953","","","0.2614","0.283","","","","","","1.039","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550707","29.4434","0.0014","30.9027","0.0014","33.2881","0.0015","90","","90.387","0.002","90","","30288","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C236.35 H284 N46.61 O54 Si8 Sr -","- C236.35 H284 N46.61 O54 Si8 Sr -","- C945.4 H1136 N186.44 O216 Si32 Sr4 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1608","0.1308","","","0.331","0.3598","","","","","","1.437","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550708","56.969","0.016","56.969","0.016","56.969","0.016","90","","90","","90","","184891","9","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C166.3 H168 K N40 O49.15 S5.1 -","- C166.31 H168 K N40 O49.155 S5.105 -","- C3991.44 H4032 K24 N960 O1179.72 S122.52 -","24","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.41328","synchrotron","","0.1698","0.1286","","","0.3204","0.3403","","","","","","1.97","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550709","43.3567","0.0017","43.6708","0.0016","14.0917","0.0006","90","","90","","90","","26681.5","1.8","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C216.5 H304.75 F6 K N48.25 O40 P Si8 -","- C216.5 H280 F6 K N48.25 O40 P Si8 -","- C866 H1120 F24 K4 N193 O160 P4 Si32 -","4","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1203","0.0972","","","0.2632","0.2889","","","","","","1.033","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550710","28.1","0.05","36.715","0.002","29.3334","0.0018","90","","98.061","0.003","90","","29964","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C222.52 H296 Ba N43.76 O51.5 Si8 -","- C222.534 H296 Ba N43.767 O51.5 Si8 -","- C890.136 H1184 Ba4 N175.068 O206 Si32 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1504","0.1184","","","0.306","0.3391","","","","","","1.299","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550711","43.381","0.009","43.722","0.009","14.181","0.003","90","","90","","90","","26897","10","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C206.75 H280 N42 O42.75 Rb Si8 -","- C206.75 H280 N42 O42.75 Rb Si8 -","- C827 H1120 N168 O171 Rb4 Si32 -","4","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.41328","synchrotron","","0.1701","0.1474","","","0.3511","0.3615","","","","","","2.384","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550712","29.5563","0.0008","30.8599","0.001","33.3264","0.001","90","","90.621","0.002","90","","30395.4","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C228.75 H322.25 Ba Cl5 N46 O54 Si8 -","- C228.75 H322.25 Ba Cl5 N46 O54 Si8 -","- C915 H1289 Ba4 Cl20 N184 O216 Si32 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1506","0.1087","","","0.289","0.334","","","","","","1.022","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550713","11.5535","0.0003","11.5464","0.0003","17.0207","0.0004","90","","107.922","0.003","90","","2160.41","0.1","198","","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-75C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0313","0.0249","","","0.0661","0.0693","","","","","","0.903","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550714","11.4311","0.0003","11.5318","0.0003","16.9629","0.0004","90","","107.683","0.003","90","","2130.42","0.1","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-150C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0223","0.0189","","","0.0441","0.0451","","","","","","0.919","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550715","11.4695","0.0003","11.5435","0.0002","16.9813","0.0004","90","","107.754","0.003","90","","2141.22","0.09","148","","148","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-125C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0257","0.0213","","","0.0492","0.0505","","","","","","0.999","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550716","12.358","0.0003","11.0601","0.0002","17.0928","0.0004","90","","108.556","0.003","90","","2214.8","0.09","248","","248","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-25C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0349","0.0253","","","0.0664","0.0706","","","","","","0.984","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550717","12.3955","0.0004","11.09","0.0003","17.1445","0.0005","90","","108.694","0.003","90","","2232.45","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_25C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0386","0.0269","","","0.056","0.0597","","","","","","1.026","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550718","11.6176","0.0003","11.5301","0.0003","17.0283","0.0005","90","","108.005","0.003","90","","2169.28","0.11","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-50C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0345","0.0263","","","0.068","0.072","","","","","","0.878","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550719","11.5041","0.0003","11.5471","0.0003","16.9982","0.0004","90","","107.843","0.003","90","","2149.41","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-100C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.028","0.0227","","","0.0573","0.0591","","","","","","0.937","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550720","12.3778","0.0004","11.0704","0.0003","17.1193","0.0005","90","","108.64","0.003","90","","2222.76","0.12","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_0C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0358","0.0245","","","0.0509","0.0537","","","","","","1.028","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550721","24.8126","0.0004","18.0121","0.0003","38.6964","0.0005","90","","97.9069","0.0014","90","","17130","0.5","173","0.14","173","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C99 H106 O Si2 -","- C99 H106 O Si2 -","- C792 H848 O8 Si16 -","8","1","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.0786","0.0703","","","0.1945","0.2028","","","","","","1.031","","","","has coordinates,has disorder","214028","2020-10-21","18:00:00",""
"1550722","20.4873","0.0005","20.6875","0.0004","18.5691","0.0005","90","","91.809","0.002","90","","7866.2","0.3","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93 H94 O Si2 -","- C93 H94 O Si2 -","- C372 H376 O4 Si8 -","4","0.5","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.0997","0.0798","","","0.2278","0.2555","","","","","","1.094","","","","has coordinates,has disorder","214028","2020-10-21","18:00:00",""
"1550723","18.0943","0.0005","8.83112","0.00019","17.4814","0.0005","90","","114.242","0.004","90","","2547.08","0.14","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 O2 Si -","- C31 H28 O2 Si -","- C124 H112 O8 Si4 -","4","1","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.057","0.0433","","","0.112","0.1254","","","","","","1.051","","","","has coordinates","214028","2020-10-21","18:00:00",""
"1550724","12.2752","0.0002","12.07696","0.00018","17.4177","0.0003","90","","105.241","0.0018","90","","2491.31","0.07","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.0654","0.0507","","","0.1374","0.1488","","","","","","1.062","","","","has coordinates","214028","2020-10-21","18:00:00",""
"1550725","4.0291","0.0003","8.8371","0.0006","12.3963","0.001","100.672","0.006","91.86","0.006","102.273","0.006","422.64","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","OIP-AD","","- C6 H5 Cl2.5 N Pb -","- C6 H5 Cl2.5 N Pb -","- C12 H10 Cl5 N2 Pb2 -","2","1","","Yang, Xiao-Gang; Ma, Lufang; Yan, Dongpeng","Facile Synthesis of 1D Organic‒Inorganic Perovskite Micro-Belts with High Water Stability for Sensor and Photonic Applications","Chemical Science","2019","","","","","10.1039/C9SC00162J","","x-ray","0.71073","MoKα","","0.0549","0.0477","","","0.0971","0.1053","","","","","","0.9427","","","","has coordinates","214054","2020-10-21","18:00:00",""
"1550726","73.5168","0.0016","73.5168","0.0016","73.5168","0.0016","90","","90","","90","","397338","15","298","","298","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","MIL-100(Ti)","- C387.84 H347.52 O312.92 Ti51 -","- C386.16 H342.48 O312.08 Ti51 -","- C6178.56 H5479.68 O4993.28 Ti816 -","16","0.0833333","","Castells-Gil, Javier; Padial, Natalia M.; Almora-Barrios, Neyvis; da Silva, Ivan; Mateo, Diego; Albero, Josep; Garcia, Hermenegildo; Martí-Gastaldo, Carlos","De novo synthesis of mesoporous photoactive titanium(IV)-organic frameworks with MIL-100 topology","Chemical Science","2019","","","","","10.1039/C8SC05218B","powder diffraction","","1.5406","CuKα","","1.88511","","","","","","","","2.72301","","","","","","","has coordinates","214055","2020-10-21","18:00:00",""
"1550730","16.3305","0.0008","19.4097","0.001","28.6354","0.0015","94.786","0.001","98.753","0.001","112.59","0.001","8181.8","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H202 K5 N12 O32 Rh3 Sn24 -","- C103 H202 K5 N12 O32 Rh3 Sn24 -","- C206 H404 K10 N24 O64 Rh6 Sn48 -","2","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.1018","0.0515","","","0.1114","0.1352","","","","","","1.013","","","","has coordinates","214073","2020-10-21","18:00:00",""
"1550731","15.142","0.003","15.879","0.004","19.18","0.005","81.348","0.005","87.147","0.004","74.041","0.005","4383.3","1.8","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H115 K3 N8 O18 Rh Sn10 -","- C56 H116 K3 N8 O18 Rh Sn10 -","- C112 H232 K6 N16 O36 Rh2 Sn20 -","2","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.1032","0.0707","","","0.1831","0.2052","","","","","","1.044","","","","has coordinates,has disorder","214073","2020-10-21","18:00:00",""
"1550732","24.749","0.003","24.749","","29.868","0.003","90","","90","","120","","15844","2","120.15","","120.15","","","","","","","","","7","R -3","-R 3","148","","","","- C25 H44 K N2 O6 Rh0.33 Sn4 -","- C25 H44 K N2 O6 Rh0.333333 Sn4 -","- C450 H792 K18 N36 O108 Rh6 Sn72 -","18","","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.0638","0.0427","","","0.0875","0.0973","","","","","","1.045","","","","has coordinates","214073","2020-10-21","18:00:00",""
"1550733","27.302","0.005","17.503","0.003","21.667","0.004","90","","97.132","0.004","90","","10274","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K1.5 N4 O10 Rh0.5 Sn6 -","- C30 H61 K1.5 N4 O10 Rh0.5 Sn6 -","- C240 H488 K12 N32 O80 Rh4 Sn48 -","8","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.0711","0.0477","","","0.115","0.1254","","","","","","1.057","","","","has coordinates","214073","2020-10-21","18:00:00",""
"1550734","21.5558","0.0014","16.1668","0.001","33.205","0.002","90","","97.828","0.001","90","","11463.7","1.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H140 K6 N14 O18 Rh2 Sn17 -","- C62.5 H138 K6 N13.5 O18 Rh2 Sn17 -","- C250 H552 K24 N54 O72 Rh8 Sn68 -","4","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.0387","0.0292","","","0.0604","0.0643","","","","","","1.014","","","","has coordinates,has disorder","214073","2020-10-21","18:00:00",""
"1550735","10.448","0.002","10.636","0.002","19.123","0.004","101.538","0.01","95.067","0.011","104.449","0.01","1994.7","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H66 F24 N8 P4 S2 -","- C90 H66 F24 N8 P4 S2 -","- C90 H66 F24 N8 P4 S2 -","1","0.5","","Zhou, Jiawang; Wu, Yilei; Roy, Indranil; Samanta, Avik; Stoddart, J. Fraser; Young, Ryan Michael; Wasielewski, Michael R.","Choosing Sides: Unusual Ultrafast Charge Transfer Pathways in an Asymmetric Electron-Accepting Cyclophane that Binds an Electron Donor","Chemical Science","2019","","","","","10.1039/C8SC05514A","","","1.54178","CuKα","","0.0961","0.076","","","0.1824","0.1943","","","","","","1.105","","","","has coordinates,has disorder","214074","2020-10-21","18:00:00",""
"1550736","10.3592","0.0004","10.5764","0.0004","19.6578","0.0008","102.138","0.002","95.368","0.002","103.9","0.002","2020.27","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H62 F24 N10 P4 S4 -","- C88 H62 F24 N10 P4 S4 -","- C88 H62 F24 N10 P4 S4 -","1","0.5","","Zhou, Jiawang; Wu, Yilei; Roy, Indranil; Samanta, Avik; Stoddart, J. Fraser; Young, Ryan Michael; Wasielewski, Michael R.","Choosing Sides: Unusual Ultrafast Charge Transfer Pathways in an Asymmetric Electron-Accepting Cyclophane that Binds an Electron Donor","Chemical Science","2019","","","","","10.1039/C8SC05514A","","","1.54178","CuKα","","0.0449","0.037","","","0.0962","0.1019","","","","","","1.039","","","","has coordinates,has disorder","214074","2020-10-21","18:00:00",""
"1550739","14.9719","0.0004","7.6746","0.0003","24.3948","0.0006","90","","91.371","0.003","90","","2802.24","0.15","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PBX","","- C23 H21 Cl3 Co2 N2 O6 -","- C23 H21 Cl3 Co2 N2 O6 -","- C92 H84 Cl12 Co8 N8 O24 -","4","1","","Pan, Bingxin; Peng, Xu; Wang, Yifan; An, Qi; Zhang, Xu; Zhang, Yuexing; Teets, Thomas S.; Zeng, Ming-Hua","Tracking Pyrolysis Process of a 3-MeOsalophen-ligand based Co2 Complex for Promoted Oxygen Evolution Reaction","Chemical Science","2019","","","","","10.1039/C9SC00505F","","x-ray","1.54184","CuKα","","0.0972","0.0854","","","0.239","0.2561","","","","","","1.041","","","","has coordinates","214096","2020-10-21","18:00:00",""
"1550740","12.027","0.005","15.901","0.007","13.857","0.006","90","","91.391","0.009","90","","2649","2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H37 O5 P -","- C30 H37 O5 P -","- C120 H148 O20 P4 -","4","2","","Yang, Guohui; Li, Yao; Li, Xin; Cheng, Jin-Pei","Access to P-Chiral Phosphine Oxides by Enantioselective Allylic Alkylation of Bisphenols","Chemical Science","2019","","","","","10.1039/C8SC05439H","","","0.71073","MoKα","","0.1449","0.1225","","","0.3363","0.3641","","","","","","1.036","","","","has coordinates","214097","2020-10-21","18:00:00",""
"1550741","14.2918","0.0016","16.4145","0.0018","21.516","0.003","109.652","0.005","104.243","0.004","99.97","0.004","4422.7","1","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H139 Li O3 Si6 -","- C87 H139 Li O3 Si6 -","- C174 H278 Li2 O6 Si12 -","2","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0952","0.0628","","","0.1581","0.1885","","","","","","1.064","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550742","38.1514","0.0015","12.7134","0.0005","33.8416","0.0011","90","","94.456","0.003","90","","16364.7","1.1","132","2","132","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C80.5 H130 Si7 -","- C80.5 H130 Si7 -","- C644 H1040 Si56 -","8","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0584","0.0431","","","0.1036","0.1118","","","","","","1.031","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550743","21.007","0.0007","20.4182","0.0007","19.9183","0.0007","90","","95.4324","0.0013","90","","8505.1","0.5","152","2","152","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H138 Si7 -","- C84 H138 Si7 -","- C336 H552 Si28 -","4","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0737","0.0473","","","0.1158","0.1319","","","","","","1.032","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550744","13.3961","0.0003","18.2592","0.0005","19.4141","0.0004","67.901","0.001","70.154","0.001","76.309","0.001","4106.07","0.17","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H131 O Si6 -","- C83 H131 O Si6 -","- C166 H262 O2 Si12 -","2","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0908","0.0544","","","0.1381","0.1578","","","","","","1.032","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550745","17.8496","0.0008","24.937","0.001","20.3519","0.0009","90","","99.856","0.002","90","","8925.2","0.7","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C170 H264 B2 Li2 O2 Si12 -","- C170 H264 B2 Li2 O2 Si12 -","- C340 H528 B4 Li4 O4 Si24 -","2","0.5","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0991","0.0643","","","0.1752","0.1926","","","","","","1.403","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550746","18.8229","0.0006","28.6659","0.001","30.799","0.0012","90","","107.786","0.002","90","","15824.1","1","132","2","132","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H120 O Si6 -","- C82 H120 O Si6 -","- C656 H960 O8 Si48 -","8","2","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.1038","0.0648","","","0.1395","0.1598","","","","","","1.081","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550754","14.0857","0.0001","11.9965","0.0001","24.9643","0.0002","90","","97.675","0.001","90","","4180.65","0.06","109.95","0.1","109.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cl2 Ir N4 O5 -","- C42 H49 Cl2 Ir N4 O5 -","- C168 H196 Cl8 Ir4 N16 O20 -","4","1","","Tickner, Ben; John, Richard O.; Roy, Soumya Singha; Hart, Sam; Whitwood, Adrian Charles; Duckett, Simon B.","Using coligands to gain mechanistic insight into iridium complexes hyperpolarized with para-hydrogen","Chemical Science","2019","","","","","10.1039/C9SC00444K","","x-ray","0.71073","MoKα","","0.0289","0.0219","","","0.0437","0.0465","","","","","","1.043","","","","has coordinates","214196","2020-10-21","18:00:00",""
"1550755","11.5","0.005","12.544","0.006","16.944","0.007","90","","109.6","0.02","90","","2302.6","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H35 B2 N3 Se2 Si2 -","- C15 H35 B2 N3 Se2 Si2 -","- C60 H140 B8 N12 Se8 Si8 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0668","0.0394","","","0.0848","0.0956","","","","","","1.02","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550756","8.6416","0.0007","13.4779","0.0011","14.6575","0.0012","75.409","0.003","77.096","0.003","85.54","0.003","1610","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 B2 N2 Se2.96 -","- C33 H42 B2 N2 Se2.9644 -","- C66 H84 B4 N4 Se5.9288 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0549","0.0378","","","0.0848","0.0905","","","","","","1.089","","","","has coordinates,has disorder","214197","2020-10-21","18:00:00",""
"1550757","12.9542","0.0007","12.1291","0.0007","20.4231","0.001","90","","90.59","0.002","90","","3208.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B2 N2 Se2 -","- C33 H42 B2 N2 Se2 -","- C132 H168 B8 N8 Se8 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0792","0.0384","","","0.0731","0.0858","","","","","","1.018","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550758","9.1005","0.001","11.8019","0.0013","12.4035","0.0013","80.466","0.003","84.795","0.003","86.977","0.004","1307.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H82 B4 N6 S4 Si4 -","- C35 H82 B4 N6 S4 Si4 -","- C35 H82 B4 N6 S4 Si4 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0701","0.0621","","","0.1655","0.1725","","","","","","1.016","","","","has coordinates,has disorder","214197","2020-10-21","18:00:00",""
"1550759","8.8783","0.0008","13.1076","0.0011","14.7911","0.0013","73.716","0.002","75.16","0.003","83.313","0.002","1595.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 B2 N2 Te2 -","- C33 H42 B2 N2 Te2 -","- C66 H84 B4 N4 Te4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0239","0.0203","","","0.0532","0.0559","","","","","","1.03","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550760","9.2253","0.0004","13.3449","0.0005","14.4581","0.0006","107.015","0.001","93.867","0.001","90.035","0.001","1697.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B2 N4 Se2 -","- C30 H48 B2 N4 Se2 -","- C60 H96 B4 N8 Se4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0202","0.0186","","","0.0447","0.0455","","","","","","1.036","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550761","8.4766","0.0011","13.3667","0.0019","14.6143","0.0019","75.204","0.004","77.352","0.004","85.49","0.004","1561.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 B2 N2 S3 -","- C33 H42 B2 N2 S3 -","- C66 H84 B4 N4 S6 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.275","0.2201","","","0.4397","0.4813","","","","","","1.047","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550764","12.0614","0.0004","12.0614","0.0004","37.3048","0.0013","90","","90","","90","","5427","0.3","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","JA-58-cristal1","","","- C25.5 H25 B Br3 Cl F2 N2 -","- C25.5 H25 B Br3 Cl F2 N2 -","- C204 H200 B8 Br24 Cl8 F16 N16 -","8","1","","Guerrero-Corella, Andrea; Asenjo-Pascual, Juan; Pawar, Tushar Janardan; Díaz-Tendero, Sergio; Martín-Sómer, Ana; Gómez, Clarisa Villegas; Belmonte-Vázquez, José L.; Ramírez-Ornelas, Diana E.; Peña-Cabrera, Eduardo; Fraile, Alberto; Cruz, David Cruz; Alemán, José","BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions","Chemical Science","2019","","","","","10.1039/C9SC00959K","","","0.71073","MoKα","","0.0816","0.0606","","","0.155","0.172","","","","","","1.067","","","","has coordinates","214232","2020-10-21","18:00:00",""
"1550765","22.497","0.005","31.279","0.006","36.562","0.007","67.29","0.03","79.62","0.03","88","0.03","23328","10","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C185.98 H227.44 Cl2.92 N32 O33 -","- C185.98 H227.44 Cl2.94 N32 O33 -","- C743.92 H909.76 Cl11.76 N128 O132 -","4","2","","Jędrzejewska, Hanna; Szumna, Agnieszka","Peptide-based capsules with chirality-controlled functionalized interiors ‒ rational design and amplification from dynamic combinatorial libraries","Chemical Science","2019","","","","","10.1039/C8SC05455J","","","0.6888","synchrotron","","0.0977","0.0731","","","0.2199","0.2339","","","","","","1.128","","","","has coordinates,has disorder","214233","2020-10-21","18:00:00",""
"1550766","36.06","","35.48","","22.49","","90","","101.5","","90","","28196.3","","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C101 H126.5 Cl1.5 N20 O20.5 -","- C101 H126.5 Cl1.5 N20 O20.5 -","- C808 H1012 Cl12 N160 O164 -","8","2","","Jędrzejewska, Hanna; Szumna, Agnieszka","Peptide-based capsules with chirality-controlled functionalized interiors ‒ rational design and amplification from dynamic combinatorial libraries","Chemical Science","2019","","","","","10.1039/C8SC05455J","","","0.8","synchrotron","","0.1194","0.0986","","","0.2692","0.3023","","","","","","1.139","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1550767","9.2687","0.0009","17.9615","0.0019","8.2589","0.0009","90","","94.185","0.003","90","","1371.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H40 Br4 Cl4 N4 -","- C62 H40 Br4 Cl4 N4 -","- C62 H40 Br4 Cl4 N4 -","1","0.25","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.0834","0.0643","","","0.1837","0.1989","","","","","","1.048","","","","has coordinates,has disorder","214234","2020-10-21","18:00:00",""
"1550768","4.5701","0.0002","30.1408","0.0016","16.5121","0.0008","90","","92.41","0.001","90","","2272.47","0.19","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C120 H72 Br8 N8 -","4","0.5","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.0823","0.043","","","0.0822","0.0971","","","","","","1.023","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550769","11.1353","0.0005","13.5027","0.0007","8.277","0.0004","90","","109.689","0.001","90","","1171.74","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C60 H36 Br4 N4 -","2","0.5","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1052","0.0504","","","0.1096","0.1306","","","","","","1.022","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550770","7.0412","0.0007","22.373","0.002","29.798","0.003","90","","90","","90","","4694.2","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C240 H144 Br16 N16 -","8","1","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1431","0.0761","","","0.1015","0.12","","","","","","1.046","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550771","9.2718","0.0016","17.063","0.003","8.0988","0.0014","90","","96.262","0.005","90","","1273.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C60 H36 Br4 N4 -","2","0.5","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1714","0.0633","","","0.1034","0.1338","","","","","","1.012","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550773","24.309","0.0011","6.3645","0.0002","31.2582","0.0014","90","","110.597","0.005","90","","4527","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B N O5 -","- C14 H22 B N O5 -","- C168 H264 B12 N12 O60 -","12","3","","Lin, Shengjia; Wang, Lucia; Aminoleslami, Negin; Lao, Yanting; Yagel, Chelsea; Sharma, Abhishek","A Modular and Concise Approach to MIDA Acylboronates via Chemoselective Oxidation of Unsymmetrical Geminal Diborylalkanes: Unlocking Access to a Novel Class of Acylborons","Chemical Science","2019","","","","","10.1039/C9SC00378A","","x-ray","1.54184","CuKα","","0.0909","0.051","","","0.1042","0.1203","","","","","","1.029","","","","has coordinates","214277","2020-10-21","18:00:00",""
"1550774","10.3672","0.0003","10.8231","0.0003","10.9398","0.0004","78.441","0.003","85.514","0.003","63.232","0.003","1073.63","0.07","99.9","0.6","99.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 B N O5 -","- C9 H12 B N O5 -","- C36 H48 B4 N4 O20 -","4","2","","Lin, Shengjia; Wang, Lucia; Aminoleslami, Negin; Lao, Yanting; Yagel, Chelsea; Sharma, Abhishek","A Modular and Concise Approach to MIDA Acylboronates via Chemoselective Oxidation of Unsymmetrical Geminal Diborylalkanes: Unlocking Access to a Novel Class of Acylborons","Chemical Science","2019","","","","","10.1039/C9SC00378A","","x-ray","1.54184","CuKα","","0.0455","0.0423","","","0.1145","0.119","","","","","","1.027","","","","has coordinates,has disorder","214277","2020-10-21","18:00:00",""
"1550775","9.3307","0.0003","21.4147","0.0008","9.6557","0.0004","90","","109.438","0.004","90","","1819.38","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 B N O6 -","- C7 H10 B N O6 -","- C56 H80 B8 N8 O48 -","8","2","","Lin, Shengjia; Wang, Lucia; Aminoleslami, Negin; Lao, Yanting; Yagel, Chelsea; Sharma, Abhishek","A Modular and Concise Approach to MIDA Acylboronates via Chemoselective Oxidation of Unsymmetrical Geminal Diborylalkanes: Unlocking Access to a Novel Class of Acylborons","Chemical Science","2019","","","","","10.1039/C9SC00378A","","x-ray","1.54184","CuKα","","0.0502","0.0437","","","0.1108","0.1168","","","","","","1.035","","","","has coordinates","214277","2020-10-21","18:00:00",""
"1550776","7.2897","0.0003","23.0144","0.001","25.5674","0.001","90","","90","","90","","4289.4","0.3","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","4437-104","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C200 H144 Cl8 N8 O24 -","8","1","","Ding, Chunyong; Chen, Hongjin; Liang, Bing; Jiao, Mingkun; Liang, Guang; Zhang, Ao","Biomimetic Synthesis of Natural Product Salviadione and Its Hybrids: Discovery of Tissue-Specific Anti-Inflammatory Agents for Acute Lung Injury","Chemical Science","2019","","","","","10.1039/C9SC00086K","","","1.54178","CuKα","","0.0371","0.0366","","","0.0889","0.0892","","","","","","1.107","","","","has coordinates","214278","2020-10-21","18:00:00",""
"1550777","32.3746","0.0006","8.0807","0.0002","22.6746","0.0006","90","","90","","90","","5931.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","p-py","","- C34 H20.25 N6 O0.12 S4 -","- C34 H20.25 N6 O0.125 S4 -","- C272 H162 N48 O S32 -","8","1","","Li, Mengqi; Chen, Li-Jun; Zhang, Zhipeng; Luo, Qianfu; Yang, Hai-Bo; Tian, He; Zhu, Weihong","Conformer-dependent self-assembly metallacycles with photo-reversible response","Chemical Science","2019","","","","","10.1039/C9SC00757A","","","1.54178","CuKα","","0.0716","0.0537","","","0.1425","0.155","","","","","","1.025","","","","has coordinates","214322","2020-10-21","18:00:00",""
"1550793","25.436","0.005","15.433","0.003","20.238","0.004","90","","92.993","0.006","90","","7934","3","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C138 H56 N4 Ni S0 Y2 -","- C138 H56 N4 Ni Y2 -","- C552 H224 N16 Ni4 Y8 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.71073","MoKα","","0.143","0.1066","","","0.2841","0.3237","","","","","","1.054","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550794","23.544","0.003","14.4883","0.0018","18.621","0.003","90","","93.714","0.003","90","","6338.5","1.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C140 H56 N4 Ni Y2 -","- C140 H56 N4 Ni Y1.9998 -","- C560 H224 N16 Ni4 Y7.9992 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.6525","synchrotron","","0.1371","0.0966","","","0.254","0.2877","","","","","","1.089","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550795","25.3744","0.0009","15.1207","0.0006","19.8806","0.0008","90","","94.306","0.001","90","","7606.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C128.52 H54.22 N4 Ni S0.59 Y2 -","- C128.53 H54.236 N4 Ni S0.588 Y1.9998 -","- C514.12 H216.944 N16 Ni4 S2.352 Y7.9992 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.82653","synchrotron","","0.1235","0.1156","","","0.2949","0.2991","","","","","","1.135","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550796","23.457","0.0019","14.321","0.0012","18.5441","0.0018","90","","93.976","0.002","90","","6214.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C136 H56 N4 Ni Y2 -","- C136 H56 N4 Ni Y2 -","- C544 H224 N16 Ni4 Y8 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.6525","synchrotron","","0.1242","0.1054","","","0.3037","0.3224","","","","","","1.159","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550797","24.3282","0.0007","17.8364","0.0006","19.1972","0.0006","90","","91.902","0.001","90","","8325.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C130 H44 N4 Ni S0 Y2 -","- C130 H44 N4 Ni Y2.0002 -","- C520 H176 N16 Ni4 Y8.0008 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.6525","synchrotron","","0.1436","0.1308","","","0.3404","0.3515","","","","","","1.015","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550798","25.2629","0.0012","15.557","0.0007","19.4478","0.0009","90","","94.557","0.001","90","","7619.1","0.6","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C118 H44 Cl0 N4 Ni S0 Y2 -","- C118 H44 N4 Ni Y2 -","- C472 H176 N16 Ni4 Y8 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.71073","MoKα","","0.0841","0.0676","","","0.1794","0.1902","","","","","","1.036","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550817","20.2607","0.0002","20.6711","0.0002","26.2425","0.0003","109.714","0.001","100.1","0.001","109.009","0.001","9266.3","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C194 H412 Ag84 O90 S42 W14 -","- C194 H412 Ag84 O90 S42 W14 -","- C194 H412 Ag84 O90 S42 W14 -","1","0.5","","Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster","Chemical Science","2019","10","18","4862","4867","10.1039/C8SC05666H","","x-ray","0.71073","MoKα","","0.0637","0.0578","","","0.1548","0.1596","","","","","","1.041","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550818","21.5617","0.0011","22.2473","0.001","24.5285","0.0013","74.1307","0.0013","70.9758","0.0013","68.5642","0.0017","10193.5","0.9","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C246 H370 Ag84 O88 S42 W14 -","- C246 H370 Ag84 O88 S42 W14 -","- C246 H370 Ag84 O88 S42 W14 -","1","0.5","","Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster","Chemical Science","2019","10","18","4862","4867","10.1039/C8SC05666H","","","0.68877","","","0.0975","0.0752","","","0.169","0.1919","","","","","","1.027","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550827","9.867","0.0009","9.867","0.0009","36.735","0.003","90","","90","","120","","3097.3","0.5","100","2","100","2","","","","","","","synthetic","6","R 3 c","R 3 -2""c","161","Stepanovite","Sodium magnesium Iron(iii) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0229","0.0225","","","0.0547","0.0549","","","","","","1.105","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550828","16.9954","0.0012","16.9954","0.0012","12.3838","0.001","90","","90","","120","","3097.8","0.4","293","2","297","","","","101325","","","","synthetic","6","P 3 c 1","P 3 -2""c","158","Stepanovite, hexagonal polzmorph","sodium magnesium iron(III) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","1","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0393","0.0295","","","0.0744","0.0787","","","","","","1.033","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550829","17.0033","0.0011","17.0033","0.0011","12.416","0.0008","90","","90","","120","","3108.7","0.3","100","","100","","","","101325","","","","synthetic","6","P 3 c 1","P 3 -2""c","158","Stepanovite, hexagonal polymorph","sodium magnesium iron(III) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","1","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0409","0.0351","","","0.0851","0.0879","","","","","","1.099","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550830","9.77454","0.00019","9.77454","0.00019","29.794","0.0011","90","","90","","120","","2465.2","0.11","100","2","100","2","","","101325","","","","synthetic","6","R 3","R 3","146","","Sodium magnesium iron(III) oxalate hexahydrate","","- C6 H12 Fe Mg Na O18 -","- C6 H12 Fe Mg Na O18 -","- C36 H72 Fe6 Mg6 Na6 O108 -","6","","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0724","0.0607","","","0.1522","0.1672","","","","","","1.086","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550831","9.756","0.0008","9.756","0.0008","10.117","0.003","90","","90","","120","","833.9","0.3","293","2","293","2","","","101325","","","","synthetic","6","P 3","P 3","143","","Sodium magnesium iron(III) oxalate hexahydrate","","- C6 H12 Fe Mg Na O18 -","- C6 H12 Fe Mg Na O18 -","- C12 H24 Fe2 Mg2 Na2 O36 -","2","0.666667","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0669","0.0576","","","0.1382","0.1475","","","","","","1.084","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550834","6.0835","0.0005","9.3137","0.0007","22.9507","0.0017","90","","95.237","0.004","90","","1294.96","0.17","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C56 H68 N4 O8 S4 -","4","1","","Breit, Bernhard; Zhou, Yirong; Nikbakht, Ali -; Bauer, Felix","Rhodium catalyzed cycloisomerization and tandem Diels-Alder reaction for facile access to diverse bicyclic and tricyclic heterocycles","Chemical Science","2019","","","","","10.1039/C9SC00980A","","","0.71073","MoKα","","0.0329","0.0308","","","0.08","0.0814","","","","","","1.081","","","","has coordinates","214479","2020-10-21","18:00:00",""
"1550835","30.444","0.009","6.0806","0.0014","11.172","0.003","90","","95.156","0.014","90","","2059.8","1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl N2 O4 S -","- C23 H21 Cl N2 O4 S -","- C92 H84 Cl4 N8 O16 S4 -","4","1","","Breit, Bernhard; Zhou, Yirong; Nikbakht, Ali -; Bauer, Felix","Rhodium catalyzed cycloisomerization and tandem Diels-Alder reaction for facile access to diverse bicyclic and tricyclic heterocycles","Chemical Science","2019","","","","","10.1039/C9SC00980A","","x-ray","0.71073","MoKα","","0.0477","0.0362","","","0.0864","0.092","","","","","","1.044","","","","has coordinates","214479","2020-10-21","18:00:00",""
"1550837","10.1957","0.0004","12.2494","0.0005","23.2226","0.001","92.193","0.003","93.573","0.003","106.021","0.003","2777.6","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N4 O2 -","- C32 H40 N4 O2 -","- C128 H160 N16 O8 -","4","4","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.0849","0.0735","","","0.1941","0.2046","","","","","","1.057","","","","has coordinates","214492","2020-10-21","18:00:00",""
"1550838","11.0084","0.0007","12.0389","0.0007","12.2322","0.0008","79.257","0.005","66.321","0.006","78.199","0.005","1443.4","0.17","130","6","130","6","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N4 O2 -","- C34 H44 N4 O2 -","- C68 H88 N8 O4 -","2","1","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","x-ray","0.71073","MoKα","","0.1224","0.0665","","","0.1684","0.1948","","","","","","0.969","","","","has coordinates,has disorder","214492","2020-10-21","18:00:00",""
"1550839","21.0138","0.0012","10.9924","0.0007","26.662","0.0016","90","","97.694","0.005","90","","6103.3","0.6","128","2","128.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H42 N4 O3 -","- C34 H42 N4 O3 -","- C272 H336 N32 O24 -","8","2","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.0857","0.0799","","","0.1927","0.1963","","","","","","1.132","","","","has coordinates,has disorder","214492","2020-10-21","18:00:00",""
"1550840","11.7633","0.0008","12.4781","0.0009","13.0623","0.0009","106.839","0.006","100.035","0.006","93.786","0.006","1793.2","0.2","126","2","126.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 N4 O4 S -","- C39 H46 N4 O4 S -","- C78 H92 N8 O8 S2 -","2","1","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.1034","0.08","","","0.2216","0.2367","","","","","","1.114","","","","has coordinates,has disorder","214492","2020-10-21","18:00:00",""
"1550841","12.3804","0.0003","7.50396","0.00016","8.4883","0.0002","90","","94.6701","0.0019","90","","785.96","0.03","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 Co N6 O6 Zn2 -","- C8 Co N6 O6 Zn2 -","- C16 Co2 N12 O12 Zn4 -","2","0.5","","Marquez, Carlos; Simonov, Arkadiy; Wharmby, Michael T.; Van Goethem, Cédric; Vankelecom, Ivo F.J.; Bueken, Bart; Krajnc, Andraž; Mali, Gregor; De Vos, Dirk; De Baerdemaeker, Trees","Layered Zn2[Co(CN)6](CH3COO) double metal cyanide: a two-dimensional DMC phase with excellent catalytic performance","Chemical Science","2019","","","","","10.1039/C9SC00527G","powder diffraction","x-ray","0.20738","synchrotron","","","","","","","","","0.0131","0.80719","","","","","","","has coordinates","214493","2020-10-21","18:00:00",""
"1550850","10.8935","0.0009","9.2955","0.0007","20.3854","0.0017","90","","98.385","0.003","90","","2042.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B Cl2 N -","- C20 H31 B Cl2 N -","- C80 H124 B4 Cl8 N4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0586","0.0433","","","0.1022","0.1098","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550851","9.1887","0.0011","11.6671","0.0016","18.914","0.003","78.726","0.005","77.377","0.004","88.791","0.004","1940","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43.5 H67 B N2 -","- C43.5 H67 B N2 -","- C87 H134 B2 N4 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0802","0.0541","","","0.1266","0.1427","","","","","","1.009","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550852","15.725","0.002","10.7595","0.0014","17.237","0.003","90","","117.084","0.006","90","","2596.6","0.7","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 B Cl N P -","- C26 H46 B Cl N P -","- C104 H184 B4 Cl4 N4 P4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0712","0.0482","","","0.1096","0.1253","","","","","","1.018","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550853","12.5496","0.0012","16.2449","0.0016","18.6655","0.0018","90","","103.896","0.003","90","","3693.9","0.6","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H55 B Cl N3 -","- C41 H55 B Cl N3 -","- C164 H220 B4 Cl4 N12 -","4","2","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1154","0.0607","","","0.0933","0.108","","","","","","0.976","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550854","12.9399","0.0013","14.8972","0.0014","21.64","0.002","90","","98.624","0.003","90","","4124.3","0.7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H70 B Cl N2 -","- C47 H70 B Cl N2 -","- C188 H280 B4 Cl4 N8 -","4","0.5","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0746","0.044","","","0.0917","0.1051","","","","","","1.035","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550855","9.5037","0.0005","10.6623","0.0005","14.192","0.0006","109.04","0.002","92.35","0.003","116.165","0.002","1190.8","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H40 B Cl N P -","- C23 H40 B Cl N P -","- C46 H80 B2 Cl2 N2 P2 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.059","0.0417","","","0.1033","0.1114","","","","","","1.062","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550856","9.1055","0.0016","10.5101","0.0019","13.919","0.003","87.33","0.004","88.935","0.004","77.336","0.005","1298.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 B Cl N3 -","- C27 H43 B Cl N3 -","- C54 H86 B2 Cl2 N6 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0814","0.052","","","0.117","0.1337","","","","","","1.024","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550857","11.7584","0.0009","20.9712","0.0015","19.9511","0.0014","90","","90.364","0.004","90","","4919.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 B Li N3 O3 -","- C53 H79 B Li N3 O3 -","- C212 H316 B4 Li4 N12 O12 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1482","0.0701","","","0.1441","0.1695","","","","","","1.024","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550858","22.7921","0.0016","17.8985","0.0011","14.2655","0.0011","90","","105.321","0.002","90","","5612.7","0.7","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H34 B Cl2 K N S0.5 -","- C21 H34 B Cl2 K N S0.5 -","- C168 H272 B8 Cl16 K8 N8 S4 -","8","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0679","0.0473","","","0.1177","0.1285","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550859","10.8472","0.001","11.1775","0.001","18.8985","0.0016","79.591","0.004","76.738","0.004","71.31","0.004","2098.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 B Cl N3 -","- C41 H57 B Cl N3 -","- C82 H114 B2 Cl2 N6 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0936","0.0561","","","0.1377","0.1566","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550860","16.2908","0.0006","8.818","0.0002","16.4186","0.0006","90","","118.727","0.001","90","","2068.28","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B Cl3 N -","- C20 H31 B Cl3 N -","- C80 H124 B4 Cl12 N4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0354","0.0282","","","0.0642","0.0676","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550861","27.0965","0.0009","11.3646","0.0004","37.7243","0.0013","90","","90.738","0.002","90","","11615.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 B Li N3 O6 -","- C53 H87 B Li N3 O6 -","- C424 H696 B8 Li8 N24 O48 -","8","2","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1018","0.0692","","","0.169","0.1913","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550866","8.5054","0.0006","20.5271","0.0017","8.664","0.0007","90","","108.304","0.0017","90","","1436.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br N -","- C18 H12 Br N -","- C72 H48 Br4 N4 -","4","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.078","0.0548","","","0.1177","0.1271","","","","","","1.032","","","","has coordinates","214571","2020-10-21","18:00:00",""
"1550867","14.1421","0.0015","5.0957","0.0005","19.509","0.002","90","","100.673","0.002","90","","1381.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br N -","- C18 H12 Br N -","- C72 H48 Br4 N4 -","4","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.0444","0.0414","","","0.1254","0.1346","","","","","","1.025","","","","has coordinates","214571","2020-10-21","18:00:00",""
"1550868","14.9529","0.0014","8.173","0.0008","24.26","0.002","90","","90","","90","","2964.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br2 N -","- C18 H11 Br2 N -","- C144 H88 Br16 N8 -","8","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.0434","0.0386","","","0.0834","0.0853","","","","","","1.214","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550869","16.5906","0.0008","10.646","0.0005","16.1974","0.0009","90","","102.863","0.004","90","","2789","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 Ni O3 P2 -","- C26 H40 N2 Ni O3 P2 -","- C104 H160 N8 Ni4 O12 P8 -","4","1","","Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho","One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas","Chemical Science","2019","","","","","10.1039/C9SC00717B","","","0.71073","MoKα","","0.0937","0.0502","","","0.1199","0.1512","","","","","","1.037","","","","has coordinates","214572","2020-10-21","18:00:00",""
"1550870","19.069","0.005","11.77","0.003","15.216","0.004","90","","111.157","0.008","90","","3184.9","1.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N2 Ni O3 P2 -","- C30 H48 N2 Ni O3 P2 -","- C120 H192 N8 Ni4 O12 P8 -","4","1","","Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho","One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas","Chemical Science","2019","","","","","10.1039/C9SC00717B","","","0.71073","MoKα","","0.0546","0.0462","","","0.1104","0.1188","","","","","","1.161","","","","has coordinates,has disorder","214572","2020-10-21","18:00:00",""
"1550871","13.2521","0.0009","13.1173","0.0008","31.732","0.002","90","","93.841","0.003","90","","5503.6","0.6","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H40 N2 Ni O P2 -","- C26 H40 N2 Ni O P2 -","- C208 H320 N16 Ni8 O8 P16 -","8","2","","Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho","One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas","Chemical Science","2019","","","","","10.1039/C9SC00717B","","","0.71073","MoKα","","0.0511","0.0484","","","0.116","0.1178","","","","","","1.023","","","","has coordinates","214572","2020-10-21","18:00:00",""
"1550872","9.37","0.0019","31.24","0.006","15.94","0.003","90","","91.6","0.03","90","","4664.1","1.6","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N2 P -","- C28 H29 N2 P -","- C224 H232 N16 P8 -","8","4","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0591","0.04","","","0.0702","0.075","","","","","","0.76","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550873","12.359","0.003","13.352","0.003","30.833","0.006","90","","90","","90","","5088","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N4 P2 Rb2 -","- C56 H56 N4 P2 Rb2 -","- C224 H224 N16 P8 Rb8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0439","0.0306","","","0.0573","0.0604","","","","","","1.021","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550874","11.854","0.002","18.092","0.004","12.986","0.003","90","","116.13","0.03","90","","2500.4","1.1","210","","210","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H56 N4 Na2 P2 -","- C56 H56 N4 Na2 P2 -","- C112 H112 N8 Na4 P4 -","2","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.1177","0.0576","","","0.0587","0.0696","","","","","","0.83","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550875","12.481","0.003","13.11","0.003","30.547","0.006","90","","90","","90","","4998.3","1.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 K2 N4 P2 -","- C56 H56 K2 N4 P2 -","- C224 H224 K8 N16 P8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0332","0.0305","","","0.0789","0.0802","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550876","12.7","0.003","12.756","0.003","43.4","0.009","81.58","0.03","88.39","0.03","60.36","0.03","6037","3","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C56 H56 Li2 N4 P2 -","- C56 H56 Li2 N4 P2 -","- C280 H280 Li10 N20 P10 -","5","5","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0594","0.037","","","0.0759","0.0817","","","","","","0.962","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550877","13.693","0.003","17.008","0.003","32.906","0.007","90","","90","","90","","7663","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 Cs3 N6 P3 -","- C84 H84 Cs3 N6 P3 -","- C336 H336 Cs12 N24 P12 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.045","0.0413","","","0.1105","0.113","","","","","","1.039","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550878","18.204","0.004","24.592","0.005","36.283","0.007","90","","89.882","0.004","90","","16243","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C161 H153 N3 O6 -","- C161 H153 N3 O6 -","- C644 H612 N12 O24 -","4","1","","Lv, Lingling; Roberts, Josiah; Xiao, Chengyi; Jia, Zhenmei; Jiang, Wei; Zhang , Guowei; Risko, Chad; Zhang, Lei","Triperyleno[3,3,3]propellane triimides: Achieving a New Generation of Quasi-D3h Symmetric Nanostructures in Organic Electronics","Chemical Science","2019","","","","","10.1039/C9SC00849G","","","0.71073","MoKα","","0.151","0.1194","","","0.3122","0.3459","","","","","","1.382","","","","has coordinates,has disorder","214618","2020-10-21","18:00:00",""
"1550884","10.8743","0.0002","13.879","0.0003","14.8618","0.0004","92.039","0.002","93.333","0.002","107.553","0.002","2131.63","0.09","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","1","0.5","","Moreno-Pineda, Eufemio; Taran, Gheorghe; Wernsdorfer, Wolfgang; Ruben, Mario","Quantum Tunnelling of the Magnetisation in Single-Molecule Magnet Isotopologue Dimers","Chemical Science","2019","","","","","10.1039/C9SC01062A","","x-ray","0.71073","MoKα","","0.0273","0.0256","","","0.063","0.0645","","","","","","1.087","","","","has coordinates,has disorder","214637","2020-10-21","18:00:00",""
"1550885","10.8671","0.0002","13.8736","0.0003","14.8582","0.0003","91.995","0.002","93.347","0.002","107.53","0.002","2129.2","0.08","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","1","0.5","","Moreno-Pineda, Eufemio; Taran, Gheorghe; Wernsdorfer, Wolfgang; Ruben, Mario","Quantum Tunnelling of the Magnetisation in Single-Molecule Magnet Isotopologue Dimers","Chemical Science","2019","","","","","10.1039/C9SC01062A","","x-ray","0.71073","MoKα","","0.0282","0.0241","","","0.061","0.0619","","","","","","1.05","","","","has coordinates,has disorder","214637","2020-10-21","18:00:00",""
"1550886","15.3865","0.0016","6.5658","0.0007","26.361","0.003","90","","90.703","0.003","90","","2662.9","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 B F3 N3 O5.5 S Si -","- C18 H32 B F3 N3 O5.5 S Si -","- C72 H128 B4 F12 N12 O22 S4 Si4 -","4","1","","Boknevitz, Katherine; Italia, James S.; Li, Bo; Chatterjee, Abhishek; Liu, Shih-Yuan","Synthesis and Characterization of an Unnatural Boron and Nitrogen-containing Tryptophan Analogue and its Incorporation into Proteins","Chemical Science","2019","","","","","10.1039/C8SC05167D","","","0.71073","MoKα","","0.0829","0.0524","","","0.1414","0.1538","","","","","","1.092","","","","has coordinates,has disorder","214638","2020-10-21","18:00:00",""
"1550887","18.512","0.005","18.686","0.005","32.097","0.008","90","","91.307","0.003","90","","11100","5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 B F12 Ir N6 P -","- C49 H39 B F12 Ir N6 P -","- C392 H312 B8 F96 Ir8 N48 P8 -","8","2","","Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S.","Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors","Chemical Science","2019","","","","","10.1039/C9SC00696F","","","0.71073","MoKα","","0.1109","0.0755","","","0.1999","0.2417","","","","","","1.107","","","","has coordinates,has disorder","214639","2020-10-21","18:00:00",""
"1550888","45.386","0.006","11.4399","0.0014","20.573","0.003","90","","102.781","0.001","90","","10417","2","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H43 B Cl2 F12 Ir N6 P -","- C51.001 H43.002 B Cl2.002 F12 Ir N6 P -","- C408.008 H344.016 B8 Cl16.016 F96 Ir8 N48 P8 -","8","1","","Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S.","Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors","Chemical Science","2019","","","","","10.1039/C9SC00696F","","","0.71073","MoKα","","0.0675","0.0622","","","0.1508","0.1538","","","","","","1.226","","","","has coordinates,has disorder","214639","2020-10-21","18:00:00",""
"1550889","10.868","0.003","14.021","0.003","20.638","0.005","105.005","0.003","92.613","0.003","95.539","0.003","3015.3","1.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C56.5 H46 B Cl3 F12 Ir N6 P -","- C56.5 H46 B Cl3 F12 Ir N6 P -","- C113 H92 B2 Cl6 F24 Ir2 N12 P2 -","2","1","","Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S.","Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors","Chemical Science","2019","","","","","10.1039/C9SC00696F","","","0.71073","MoKα","","0.111","0.0839","","","0.2458","0.311","","","","","","1.385","","","","has coordinates,has disorder","214639","2020-10-21","18:00:00",""
"1550897","28.044","0.003","10.4184","0.0009","24.335","0.003","90","","94.793","0.009","90","","7085.2","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Cr2 Dy2 N6 O18 -","- C72 H78 Cr2 Dy2 N6 O18 -","- C288 H312 Cr8 Dy8 N24 O72 -","4","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","","0.71073","MoKα","","0.0911","0.0431","","","0.0804","0.0899","","","","","","0.863","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550898","11.1952","0.0002","13.2472","0.0003","14.6071","0.0003","111.771","0.002","93.386","0.002","110.092","0.002","1845.67","0.08","180","2","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H83 Dy2 Mn2 N5 O20 -","- C72 H83 Dy2 Mn2 N5 O20 -","- C72 H83 Dy2 Mn2 N5 O20 -","1","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","x-ray","1.54184","CuKα","","0.0282","0.0254","","","0.063","0.0648","","","","","","1.037","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550899","27.5982","0.0003","10.68","0.0002","24.4179","0.0003","90","","94.202","0.001","90","","7177.8","0.18","150","2","149.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Dy0.18 N6 O18 Y1.82 -","- C72 H78 Al2 Dy0.18 N6 O18 Y1.82 -","- C288 H312 Al8 Dy0.72 N24 O72 Y7.28 -","4","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","x-ray","1.54184","CuKα","","0.0322","0.0287","","","0.071","0.0735","","","","","","1.042","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550900","28.1143","0.0003","10.5198","0.0002","24.3898","0.0003","90","","94.794","0.001","90","","7188.21","0.18","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Cr2 N6 O18 Y2 -","- C72 H78 Cr2 N6 O18 Y2 -","- C288 H312 Cr8 N24 O72 Y8 -","4","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","x-ray","1.54184","CuKα","","0.0322","0.0269","","","0.0692","0.0732","","","","","","1.06","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550901","14.0303","0.0019","23.979","0.004","7.3735","0.0011","90","","94.442","0.004","90","","2473.2","0.6","123","","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","0.5","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes","Chemical Science","2019","","","","","10.1039/C9SC00334G","","","0.71075","MoKα","","0.0413","0.0337","","","0.0872","0.0913","","","","","","1.027","","","","has coordinates","214672","2020-10-21","18:00:00",""
"1550902","8.9305","0.0002","16.0425","0.0003","18.2272","0.0003","90","","101.302","0.0019","90","","2560.73","0.09","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 -","- C38 H26 -","- C152 H104 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes","Chemical Science","2019","","","","","10.1039/C9SC00334G","","","0.71073","MoKα","","0.0371","0.0318","","","0.0814","0.0847","","","","","","1.041","","","","has coordinates","214672","2020-10-21","18:00:00",""
"1550903","14.5697","0.0002","14.7169","0.0002","23.758","0.0004","92.522","0.001","105.129","0.002","116.309","0.002","4332.56","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C101.5 H73.5 Cl7 O0.5 P4 Pd2 -","- C101.5 H73.5 Cl7 O0.5 P4 Pd2 -","- C203 H147 Cl14 O P8 Pd4 -","2","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes","Chemical Science","2019","","","","","10.1039/C9SC00334G","","","0.71073","MoKα","","0.0513","0.0389","","","0.0989","0.1053","","","","","","1.029","","","","has coordinates,has disorder","214672","2020-10-21","18:00:00",""
"1550904","13.841","0.0008","13.841","0.0008","8.7594","0.0006","90","","90","","90","","1678.07","0.18","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C16 H16 Cu I N6 -","- C16 H16 Cu I N6 -","- C64 H64 Cu4 I4 N24 -","4","0.5","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7749","synchrotron","","0.0484","0.0458","","","0.1091","0.1101","","","","","","1.256","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550905","10.2612","0.0005","10.7326","0.0006","11.8422","0.0007","106.811","0.003","90.123","0.003","101.77","0.003","1219.59","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7749","synchrotron","","0.0406","0.031","","","0.0602","0.0635","","","","","","1.028","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550906","9.4723","0.0009","10.8047","0.001","10.9194","0.0011","69.009","0.003","64.607","0.003","80.659","0.003","942.53","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cu I N5 -","- C19 H21 Cu I N5 -","- C38 H42 Cu2 I2 N10 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7288","synchrotron","","0.0367","0.0301","","","0.0674","0.0722","","","","","","1.083","","","","has coordinates,has disorder","214673","2020-10-21","18:00:00",""
"1550907","8.3419","0.0005","10.1955","0.0006","13.689","0.0008","76.369","0.002","74.522","0.002","66.57","0.002","1018.4","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Cu2 I2 N6 -","- C17 H18 Cu2 I2 N6 -","- C34 H36 Cu4 I4 N12 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7749","synchrotron","","0.0502","0.0336","","","0.0755","0.0809","","","","","","1.016","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550908","9.3371","0.0005","10.3738","0.0006","10.4214","0.0006","82.819","0.002","81.825","0.002","63.474","0.002","891.83","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Cu I N6 -","- C17 H18 Cu I N6 -","- C34 H36 Cu2 I2 N12 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7293","synchrotron","","0.0359","0.0323","","","0.0741","0.0772","","","","","","1.126","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550909","8.5197","0.0003","9.4963","0.0003","10.5529","0.0004","85.8689","0.0012","77.799","0.0012","71.5887","0.0012","791.78","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cu I N5 -","- C16 H15 Cu I N5 -","- C32 H30 Cu2 I2 N10 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7288","synchrotron","","0.0257","0.0228","","","0.0483","0.0496","","","","","","1.1","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550910","14.5603","0.0009","14.7597","0.0009","8.596","0.0005","90","","90.143","0.002","90","","1847.32","0.19","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(bpy)Ni(CH2CF3)2","","- C18 H12 F6 N2 Ni O -","- C18 H12 F6 N2 Ni O -","- C72 H48 F24 N8 Ni4 O4 -","4","0.5","","Yang, Yi; Zhou, Qinghai; Cai, Junjie; Xue, Teng; Liu, Yingle; Jiang, Yan; Su, Yumei; Chung, Lung Wa; Vicic, David A.","Exploiting the Trifluoroethyl Group as a Precatalyst Ligand in Nickel-catalyzed Suzuki-type Alkylations","Chemical Science","2019","","","","","10.1039/C9SC00554D","","","0.71073","MoKα","","0.069","0.0579","","","0.1289","0.1358","","","","","","1.136","","","","has coordinates","214674","2020-10-21","18:00:00",""
"1550911","9.0342","0.0009","14.3895","0.0015","14.5074","0.0015","90","","101.707","0.003","90","","1846.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Huang, Chaofan; Qian, Hui; Zhang, Wanli; Ma, Shengming","Hydroxy Group-Enabled Highly Regio- and Stereo-selective Hydrocarboxylation of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC05743E","","","0.71073","MoKα","","0.0765","0.0539","","","0.1472","0.1585","","","","","","1.086","","","","has coordinates","214675","2020-10-21","18:00:00",""
"1550912","7.9579","0.0001","12.9023","0.0002","14.8437","0.0002","90","","90","","90","","1524.08","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Huang, Chaofan; Qian, Hui; Zhang, Wanli; Ma, Shengming","Hydroxy Group-Enabled Highly Regio- and Stereo-selective Hydrocarboxylation of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC05743E","","x-ray","1.54184","CuKα","","0.0288","0.0278","","","0.0691","0.0696","","","","","","1.041","","","","has coordinates","214675","2020-10-21","18:00:00",""
"1550913","22.596","0.003","3.8694","0.0005","22.166","0.003","90","","90","","90","","1938","0.4","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","1","","Shiga, Keigo; Gridnev, Ilya D.; Terada, Masahiro; Nakamura, Itaru","Au-Catalyzed Skeletal Rearrangement of O-Propargylic Oximes via N-O Bond Cleavage with the Aid of a Brønsted Base Cocatalyst","Chemical Science","2019","","","","","10.1039/C9SC00501C","","","0.71075","MoKα","","0.0411","0.0366","","","0.083","0.0852","","","","","","1.072","","","","has coordinates","214693","2020-10-21","18:00:00",""
"1550915","17.727","0.004","35.611","0.007","31.733","0.006","90","","90","","90","","20032","7","100","","100","","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C36.25 H63.5 B F4 N9.5 O4 S20 Sn10 -","- C36.25 H62.25 B F4 N9.5 O4 S20 Sn10 -","- C290 H498 B8 F32 N76 O32 S160 Sn80 -","8","1","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.1453","0.05","","","0.1279","0.1463","","","","","","0.645","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550916","16.4857","0.0003","16.4857","0.0003","54.2335","0.0015","90","","90","","120","","12764.8","0.5","100","","100","","","","","","","","","7","R -3","-R 3","148","","","","- C40 H96 Mn4 N6 O6 Se17 Sn4 -","- C39.9999 H95.9997 Mn4 N6 O6 Se16.9999 Sn4 -","- C239.999 H575.998 Mn24 N36 O36 Se101.999 Sn24 -","6","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0815","0.0552","","","0.1474","0.1578","","","","","","1.035","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550917","27.248","0.003","27.248","0.003","27.248","0.003","90","","90","","90","","20230","4","100","","100","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- O4 S20 Sn10 -","- O4 S20 Sn10 -","- O32 S160 Sn80 -","8","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0887","0.0543","","","0.1127","0.1205","","","","","","1.036","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550918","73.616","0.0017","73.616","0.0017","73.616","0.0017","90","","90","","90","","398948","16","100","2","100","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- O4 S20 Sn10 -","- O4 S20 Sn10 -","- O544 S2720 Sn1360 -","136","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.0942","0.0353","","","0.0582","0.0609","","","","","","0.643","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550919","18.9995","0.0007","18.9995","0.0007","31.8469","0.0013","90","","90","","120","","9955.9","0.7","100","","100","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H9 O4 S20 Sn10 -","- C3 H9 O4 S20 Sn10 -","- C12 H36 O16 S80 Sn40 -","4","0.166667","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.1119","0.0632","","","0.1921","0.2127","","","","","","0.833","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550920","13.1046","0.0005","21.8727","0.001","27.9377","0.0012","79.966","0.004","79.823","0.003","84.995","0.003","7748.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32.79 H59.71 N8 O4 S20 Sn10 -","- C32.7916 H59.7081 N8 O4 S20 Sn10 -","- C131.166 H238.833 N32 O16 S80 Sn40 -","4","2","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54178","CuKα","","0.1336","0.1157","","","0.3359","0.362","","","","","","1.403","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550921","29.1874","0.0004","29.1874","0.0004","57.5222","0.0014","90","","90","","90","","49003.4","1.5","100","","100","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C5 H9.33 N1.33 O4 S20 Sn10 -","- C5 H9.33333 N1.33333 O4 S20 Sn10 -","- C120 H224 N32 O96 S480 Sn240 -","24","1.5","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.0757","0.065","","","0.1687","0.1776","","","","","","1","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550922","10.0647","0.0014","11.591","0.002","21.309","0.003","75.961","0.005","83.155","0.004","83.555","0.005","2385.5","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H120 Hg6 N12 Te12 -","- C62 H119.976 Hg6 N12 Te12 -","- C62 H119.976 Hg6 N12 Te12 -","1","0.5","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0793","0.0599","","","0.1398","0.1451","","","","","","1.11","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550923","10.0664","0.0008","11.5576","0.0009","24.55","0.002","89.172","0.003","85.585","0.003","83.936","0.002","2831.8","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H144 Hg6 N12 Te12 -","- C74 H144 Hg6 N12 Te12 -","- C74 H144 Hg6 N12 Te12 -","1","0.5","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0804","0.0499","","","0.1187","0.1292","","","","","","1.067","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550924","13.6264","0.0005","30.4112","0.0012","14.0126","0.0005","90","","100.631","0.002","90","","5707.1","0.4","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","cage-tfa","","- C45 H30 F9 N6 O6 -","- C45 H30 F9 N6 O6 -","- C180 H120 F36 N24 O24 -","4","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.1155","0.1063","","","0.3529","0.368","","","","","","1.644","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550925","13.902","0.0014","19.595","0.002","25.262","0.002","83.509","0.008","84.344","0.008","85.297","0.008","6786.7","1.1","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","cage-pf6","","- C86 H72 F36 N16 P6 -","- C86 H72 F36 N16 P6 -","- C172 H144 F72 N32 P12 -","2","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.2601","0.2253","","","0.5065","0.5309","","","","","","2.011","","","","has coordinates","214725","2020-10-21","18:00:00",""
"1550926","27.3248","0.0015","42.161","0.003","24.16","0.0016","90","","90","","90","","27833","3","100","2","100.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","AzaEx2Cage-Pycho","","- C114 H83 Br0.5 F33 N13 O2 P5.5 -","- C114 H83 Br0.5 F33 N13 O2 P5.5 -","- C912 H664 Br4 F264 N104 O16 P44 -","8","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.2586","0.1608","","","0.3936","0.4438","","","","","","1.245","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550927","13.9039","0.0005","22.9522","0.0009","23.8176","0.0009","82.666","0.002","84.915","0.002","85.037","0.002","7487.2","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C144 H115 F36 N13 O9 P6 -","- C144 H115 F36 N13 O9 P6 -","- C288 H230 F72 N26 O18 P12 -","2","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.34139","GaKα","","0.1841","0.1575","","","0.4366","0.4621","","","","","","1.911","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550928","13.6331","0.0005","20.6544","0.0008","24.9241","0.001","72.715","0.003","85.475","0.003","81.308","0.002","6620","0.5","170","2","169.98","","","","","","","","","6","P -1","-P 1","2","","","","- C99 H92 F36 N16 O5 P6 -","- C99 H92 F36 N16 O5 P6 -","- C198 H184 F72 N32 O10 P12 -","2","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.34139","GaKα","","0.1782","0.1278","","","0.3777","0.41","","","","","","1.456","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550929","14.2569","0.0006","10.862","0.0004","18.207","0.0007","90","","98.826","0.0008","90","","2786.12","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Si2 Ti -","- C29 H42 Si2 Ti -","- C116 H168 Si8 Ti4 -","4","1","","Reiß, Fabian; Reiß, Melanie; Bresien, Jonas; Spannenberg, Anke; Jiao, Haijun; Baumann, Wolfgang; Arndt, Perdita; Beweries, Torsten","1-Titanacyclobuta-2,3-diene ‒ an Elusive Four-membered Cyclic Allene","Chemical Science","2019","","","","","10.1039/C9SC01002E","","","0.71073","MoKα","","0.0443","0.034","","","0.0857","0.0934","","","","","","1.013","","","","has coordinates,has disorder","214726","2020-10-21","18:00:00",""
"1550930","11.485","0.002","9.6273","0.0019","19.737","0.004","90","","101.59","0.03","90","","2137.8","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Si2 -","- C22 H28 Si2 -","- C88 H112 Si8 -","4","1","","Reiß, Fabian; Reiß, Melanie; Bresien, Jonas; Spannenberg, Anke; Jiao, Haijun; Baumann, Wolfgang; Arndt, Perdita; Beweries, Torsten","1-Titanacyclobuta-2,3-diene ‒ an Elusive Four-membered Cyclic Allene","Chemical Science","2019","","","","","10.1039/C9SC01002E","","","0.71073","MoKα","","0.0617","0.0338","","","0.0805","0.0852","","","","","","0.814","","","","has coordinates","214726","2020-10-21","18:00:00",""
"1550931","9.1113","0.0004","14.2082","0.0007","19.2241","0.0008","90","","95.41","0.002","90","","2477.57","0.19","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F4 N2 S2 -","- C27 H21 B F4 N2 S2 -","- C108 H84 B4 F16 N8 S8 -","4","1","","Baggi, Giorgio; Casimiro, Lorenzo; Baroncini, Massimo; Silvi, Serena; Credi, Alberto; Loeb, Stephen J.","Threading-gated photochromism in [2]pseudorotaxanes","Chemical Science","2019","","","","","10.1039/C9SC00913B","","","0.71073","MoKα","","0.0676","0.0467","","","0.1024","0.113","","","","","","1.064","","","","has coordinates,has disorder","214727","2020-10-21","18:00:00",""
"1550932","8.0211","0.0004","11.5905","0.0006","20.2484","0.0011","93.738","0.002","92.017","0.002","103.011","0.002","1827.82","0.17","130","2","130.01","","","","","","","","","7","P -1","-P 1","2","","","","- C18.5 H21.5 B0.5 F2 N O2 S -","- C18.5 H21.5 B0.5 F2 N O2 S -","- C74 H86 B2 F8 N4 O8 S4 -","4","2","","Baggi, Giorgio; Casimiro, Lorenzo; Baroncini, Massimo; Silvi, Serena; Credi, Alberto; Loeb, Stephen J.","Threading-gated photochromism in [2]pseudorotaxanes","Chemical Science","2019","","","","","10.1039/C9SC00913B","","","0.71073","MoKα","","0.0627","0.0488","","","0.1176","0.1281","","","","","","1.042","","","","has coordinates,has disorder","214727","2020-10-21","18:00:00",""
"1550933","13.2818","0.0006","19.8213","0.0008","20.1065","0.0009","90","","93.248","0.002","90","","5284.8","0.4","173","2","173.21","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 B F4 N2 O9 S2 -","- C55 H63 B F4 N2 O9 S2 -","- C220 H252 B4 F16 N8 O36 S8 -","4","1","","Baggi, Giorgio; Casimiro, Lorenzo; Baroncini, Massimo; Silvi, Serena; Credi, Alberto; Loeb, Stephen J.","Threading-gated photochromism in [2]pseudorotaxanes","Chemical Science","2019","","","","","10.1039/C9SC00913B","","","0.71073","MoKα","","0.11","0.0836","","","0.2057","0.2252","","","","","","1.16","","","","has coordinates,has disorder","214727","2020-10-21","18:00:00",""
"1550942","13.206","0.0004","14.1214","0.0004","14.4666","0.0005","74.949","0.003","83.485","0.003","69.462","0.003","2438.95","0.14","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C66 H47 N5 O2 -","- C66 H47 N5 O2 -","- C132 H94 N10 O4 -","2","1","","Donabauer, Karsten; Maity, Mitasree; Berger, Anna Lucia; Huff, Gregory S.; Crespi, Stefano; König, Burkhard","Photocatalytic carbanion generation ‒ benzylation of aliphatic aldehydes to secondary alcohols","Chemical Science","2019","","","","","10.1039/C9SC01356C","","x-ray","1.54184","CuKα","","0.0528","0.0436","","","0.1087","0.1162","","","","","","1.024","","","","has coordinates","214773","2020-10-21","18:00:00",""
"1550943","14.366","0.003","7.9689","0.0017","30.185","0.006","90","","100.386","0.006","90","","3399","1.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Cl4 N13 -","- C29 H37 Cl4 N13 -","- C116 H148 Cl16 N52 -","4","1","","Audebert, Pierre; Allain, Clemence; Galmiche, Laurent; Guillot, Régis; Le, Tuan","Renewing accessible heptazine chemistry; 2,5,8-tris(3,5-diethyl-pyrazolyl)-heptazine, a new highly soluble heptazine derivative with exchangeable groups, and examples of new derived heptazines with their physical chemistry.","Chemical Science","2019","","","","","10.1039/C9SC00665F","","x-ray","0.71073","MoKα","","0.1687","0.0906","","","0.1971","0.212","","","","","","1.084","","","","has coordinates","214774","2020-10-21","18:00:00",""
"1550944","13.991","0.005","17.18","0.005","17.219","0.005","117.591","0.005","103.404","0.005","92.633","0.005","3511.4","1.9","","","295","2","","","","","","","","5","P -1","-P 1","2","","4CzDPDPO2A","","- C72 H46 N4 O2 P2 -","- C72 H46 N4 O2 P2 -","- C144 H92 N8 O4 P4 -","2","1","","Xu, Hui; Gao, Feifei; Du, Ruiming; Han, Chunmiao; Zhang, Jing; Wei, Ying; Lu, Guang","High-Efficiency Blue Thermally Activated Delayed Fluorescence from Donor-Acceptor-Donor Systems via Through-Space Conjugation Effect","Chemical Science","2019","","","","","10.1039/C9SC01240K","","","","","","0.142","","","","","","","","","","","","","","","has coordinates","214775","2020-10-21","18:00:00",""
"1550947","25.236","0.002","15.0375","0.0014","19.8277","0.0019","90","","94.385","0.001","90","","7502.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C2(5)-C82 Ni(OEP) 2(C6H6)","Eu@C2(5)-C82 Ni(OEP) 2(C6H6)","","- C130 H56 Eu N4 Ni -","- C130 H56 Eu0.9999 N4 Ni -","- C520 H224 Eu3.9996 N16 Ni4 -","4","0.5","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.1018","0.0873","","","0.2504","0.2663","","","","","","1.036","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550948","25.3346","0.0008","15.1339","0.0005","19.9751","0.0006","90","","95.659","0.001","90","","7621.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Eu@C2(13)-C80 Ni(OEP)","Eu@C2(13)-C80 Ni(OEP)","","- C130.05 H53.66 Eu N4 Ni S0.78 -","- C130.05 H53.66 Eu1.0002 N4 Ni S0.78 -","- C520.2 H214.64 Eu4.0008 N16 Ni4 S3.12 -","4","0.5","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.0945","0.0871","","","0.2217","0.2284","","","","","","1.049","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550949","22.3565","0.0008","11.4569","0.0004","27.656","0.001","90","","112.819","0.001","90","","6529.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Eu@C2(13)-C84-W","Eu@C2(13)-C84-W","","- C114 H24 Eu O3 P2 S2 W -","- C114 H24 Eu O3 P2 S2 W -","- C456 H96 Eu4 O12 P8 S8 W4 -","4","1","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.079","0.0592","","","0.1508","0.1609","","","","","","1.062","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550950","22.367","0.002","11.2378","0.001","27.52","0.003","90","","112.042","0.001","90","","6411.7","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Eu@C2(5)-C82-W","Eu@C2(5)-C82-W","","- C112 H24 Eu O3 P2 S2 W -","- C112 H24 Eu O3 P2 S2 W -","- C448 H96 Eu4 O12 P8 S8 W4 -","4","1","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.048","0.0448","","","0.1207","0.1248","","","","","","1.042","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550956","9.6931","0.0005","13.6493","0.0008","20.0677","0.0012","82.98","0.002","76.463","0.002","73.318","0.002","2468.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H64 Cl4 O2 P6 Ru2 S2 -","- C33 H64 Cl4 O2 P6 Ru2 S2 -","- C66 H128 Cl8 O4 P12 Ru4 S4 -","2","1","","Brewster II, James T.; Root, Harrison Duane; Mangel, Daniel; Zafar, Hadiqa; Samia, Adam; Sedgwick, Adam C.; Lynch, Vincent; Sessler, Jonathan L.","UO22±Mediated Ring Contraction of Pyrihexaphyrin: Synthesis of a Contracted Expanded Porphyrin-Uranyl Complex","Chemical Science","2019","","","","","10.1039/C9SC01593K","","","0.71073","MoKα","","0.1082","0.0464","","","0.0595","0.0703","","","","","","1.004","","","","has coordinates,has disorder","214863","2020-10-21","18:00:00",""
"1550957","11.466","0.0003","14.7143","0.0004","27.0626","0.0005","90","","100.58","0.002","90","","4488.22","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl6 N6 O2 U -","- C44 H48 Cl6 N6 O2 U -","- C176 H192 Cl24 N24 O8 U4 -","4","1","","Brewster II, James T.; Root, Harrison Duane; Mangel, Daniel; Zafar, Hadiqa; Samia, Adam; Sedgwick, Adam C.; Lynch, Vincent; Sessler, Jonathan L.","UO22±Mediated Ring Contraction of Pyrihexaphyrin: Synthesis of a Contracted Expanded Porphyrin-Uranyl Complex","Chemical Science","2019","","","","","10.1039/C9SC01593K","","","1.54184","CuKα","","0.0538","0.0432","","","0.1072","0.1157","","","","","","1.026","","","","has coordinates","214863","2020-10-21","18:00:00",""
"1550958","11.753","0.006","6.281","0.003","13.273","0.006","90","","101.939","0.009","90","","958.6","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H15 Br F5 N O2 -","- C19 H15 Br F5 N O2 -","- C38 H30 Br2 F10 N2 O4 -","2","1","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0376","0.0343","","","0.0617","0.0626","","","","","","0.697","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550959","9.2685","0.0013","17.886","0.003","21.589","0.003","90","","90","","90","","3578.9","0.9","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br F3 N O2 -","- C18 H15 Br F3 N O2 -","- C144 H120 Br8 F24 N8 O16 -","8","2","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0614","0.04","","","0.0655","0.0704","","","","","","0.83","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550960","13.6483","0.0015","16.5846","0.0018","23.807","0.003","90","","90","","90","","5388.8","1.1","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br F9 N O2 -","- C26 H19 Br F9 N O2 -","- C208 H152 Br8 F72 N8 O16 -","8","2","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0635","0.0404","","","0.0719","0.0784","","","","","","0.861","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550961","10.5086","0.0004","12.016","0.0004","27.2839","0.0011","90","","90","","90","","3445.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Cuadros, Sara; Horwitz, Matthew; Schweitzer-Chaput, Bertrand; Melchiorre, Paolo","A visible-light mediated three-component radical process using dithiocarbamate anion catalysis","Chemical Science","2019","","","","","10.1039/C9SC00833K","","","0.71073","MoKα","","0.0564","0.0422","","","0.1126","0.1208","","","","","","1.078","","","","has coordinates,has disorder","214865","2020-10-21","18:00:00",""
"1550963","17.1343","0.0002","10.09453","0.00012","15.428","0.0002","90","","92.6644","0.0012","90","","2665.58","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","2","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","","1.54184","CuKα","","0.0433","0.0389","","","0.0977","0.1005","","","","","","1.039","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1550964","7.1973","0.0016","11.006","0.003","16.413","0.004","90","","90","","90","","1300.1","0.6","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","1","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","","0.71075","MoKα","","","0.0668","","","","0.1419","","","","","","0.999","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1550965","12.3214","0.0012","8.4434","0.0008","20.5045","0.0017","90","","99.133","0.008","90","","2106.1","0.3","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O2.5 -","- C25 H27 N3 O2 -","- C100 H108 N12 O8 -","4","2","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","x-ray","0.71073","MoKα","","0.1865","0.0875","","","0.2126","0.2969","","","","","","1.064","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1550971","16.163","0.0005","16.163","","16.4362","0.0006","90","","90","","90","","4293.8","0.2","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C46.03 H70.75 B2 N5 Zn -","- C46.026 H70.744 B2 N5 Zn -","- C184.104 H282.976 B8 N20 Zn4 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0785","0.0509","","","0.1257","0.14","","","","","","1.03","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550972","16.0995","0.0005","16.0995","0.0005","16.3816","0.0005","90","","90","","90","","4246","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C47.24 H72.13 B2 Fe N5 -","- C47.244 H72.136 B2 Fe N5 -","- C188.976 H288.544 B8 Fe4 N20 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.0733","0.0561","","","0.1482","0.1651","","","","","","1.004","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550973","13.8891","0.0004","17.2913","0.0006","19.1228","0.0007","90","","94.835","0.002","90","","4576.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H77 B2 Fe N5 O2 -","- C46 H77 B2 Fe N5 O2 -","- C184 H308 B8 Fe4 N20 O8 -","4","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.06","0.0484","","","0.1252","0.1322","","","","","","1.058","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550974","10.989","0.006","12.928","0.006","24.431","0.011","92.678","0.016","91.124","0.018","114.185","0.016","3160","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H98 B2 Fe N5 O3 P2 -","- C65 H98 B2 Fe N5 O3 P2 -","- C130 H196 B4 Fe2 N10 O6 P4 -","2","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.2633","0.1288","","","0.3444","0.4225","","","","","","1.176","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550975","23.8853","0.001","11.6376","0.0005","19.0401","0.0008","90","","110.826","0.0016","90","","4946.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 B2 Fe N5 S2 -","- C53 H73 B2 Fe N5 S2 -","- C212 H292 B8 Fe4 N20 S8 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0891","0.0497","","","0.1253","0.1413","","","","","","1.061","","","","has coordinates","214979","2020-10-21","18:00:00",""
"1550976","14.7395","0.0008","31.7053","0.0018","22.0966","0.0013","90","","90.451","0.002","90","","10325.9","1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C89.49 H132.99 B4 Cl6.99 Fe2 N14 -","- C89.493 H132.986 B4 Cl6.986 Fe2 N14 -","- C357.972 H531.944 B16 Cl27.944 Fe8 N56 -","4","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0697","0.0627","","","0.1346","0.14","","","","","","1.125","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550977","12.0303","0.0005","11.0429","0.0004","22.8724","0.0009","90","","94.3767","0.0015","90","","3029.7","0.2","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C65 H99 B2 Fe N7 O3 -","- C65 H99 B2 Fe N7 O3 -","- C130 H198 B4 Fe2 N14 O6 -","2","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0714","0.0518","","","0.1204","0.1365","","","","","","1.067","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550978","26.45","0.002","26.45","0.002","20.941","0.0019","90","","90","","90","","14650","2","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C187.23 H315.27 B8 Fe4 K4 N20 O11.62 -","- C187.232 H315.272 B8 Fe4 K4 N20 O11.616 -","- C374.464 H630.544 B16 Fe8 K8 N40 O23.232 -","2","0.125","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.1321","0.0935","","","0.2427","0.3014","","","","","","1.085","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550979","33.641","0.0007","16.3704","0.0003","27.3584","0.0006","90","","100.166","0.001","90","","14830.2","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C146 H226 B4 Fe K2 N10 O20 -","- C146 H226 B4 Fe K2 N10 O20 -","- C584 H904 B16 Fe4 K8 N40 O80 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.0755","0.0728","","","0.2145","0.2176","","","","","","1.052","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550980","9.2208","0.001","15.9972","0.0018","25.443","0.003","90","","93.373","0.006","90","","3746.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(butylPDPtBu)Fe(SPh)2","","- C39 H51 Fe N5 S2 -","- C39 H51 Fe N5 S2 -","- C156 H204 Fe4 N20 S8 -","4","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.0915","0.0612","","","0.1607","0.1807","","","","","","1.034","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550981","23.8971","0.001","11.5743","0.0005","19.0415","0.0007","90","","110.444","0.0014","90","","4935","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 B2 N5 S2 Zn -","- C53 H73 B2 N5 S2 Zn -","- C212 H292 B8 N20 S8 Zn4 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0496","0.0355","","","0.0864","0.0955","","","","","","1.052","","","","has coordinates","214979","2020-10-21","18:00:00",""
"1550982","16.4289","0.0008","16.4289","0.0008","16.7181","0.001","90","","90","","90","","4512.4","0.4","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H73 B2 Cl2 Fe N7 -","- C44.0002 H73 B2 Cl2.0004 Fe N7 -","- C176.001 H292 B8 Cl8.0016 Fe4 N28 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0759","0.0583","","","0.1193","0.1322","","","","","","1.079","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550983","19.503","0.003","21.623","0.003","22.147","0.004","67.321","0.005","71.202","0.005","89.815","0.004","8079","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H101 B2 Fe K N7 O6 -","- C59.009 H101.018 B2 Fe K N7.001 O6.003 -","- C236.036 H404.072 B8 Fe4 K4 N28.004 O24.012 -","4","2","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.1805","0.1316","","","0.3677","0.4104","","","","","","1.069","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550984","8.8548","0.0004","17.4697","0.0007","17.4739","0.0008","92.316","0.003","99.766","0.002","99.769","0.002","2618.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H79 B2 Fe N7 S2 -","- C53 H79 B2 Fe N7 S2 -","- C106 H158 B4 Fe2 N14 S4 -","2","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.1355","0.1187","","","0.3033","0.323","","","","","","1.103","","","","has coordinates","214979","2020-10-21","18:00:00",""
"1550985","17.445","0.003","17.445","0.003","22.934","0.005","90","","90","","90","","6979","2","243","2","243","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C56 H44 F12 O40 Zr6 -","- C56 H24 F12 O40 Zr6 -","- C112 H48 F24 O80 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.65","synchrotron","","0.1817","0.105","","","0.2841","0.3324","","","","","","0.977","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550986","11.677","0.002","17.804","0.004","25.696","0.005","90","","90","","90","","5342.1","1.8","298","2","298","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C56 H68 F12 O52 Zr6 -","- C56 H28 F12 O52 Zr6 -","- C112 H56 F24 O104 Zr12 -","2","0.125","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0737","0.0593","","","0.1848","0.1955","","","","","","1.088","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550987","14.955","0.002","14.955","0.002","26.077","0.005","90","","90","","90","","5832.2","1.6","250","2","250","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C64 H42 N2 O40 Zr6 -","- C64 H16 N2 O36 Zr6 -","- C128 H32 N4 O72 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0758","0.0677","","","0.1923","0.1995","","","","","","1.082","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550988","14.839","0.002","14.839","0.002","26.03","0.005","90","","90","","90","","5731.7","1.6","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C64 H34 N2 O36 Zr6 -","- C64 H24 N2 O36 Zr6 -","- C128 H48 N4 O72 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.1242","0.0868","","","0.2613","0.3003","","","","","","1.063","","","","has coordinates","214980","2020-10-21","18:00:00",""
"1550989","17.439","0.003","17.439","0.003","22.592","0.005","90","","90","","90","","6871","2","250","2","250","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C64 H50 O43 Zr6 -","- C64 H29 O43 Zr6 -","- C128 H58 O86 Zr12 -","2","0.125","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0842","0.071","","","0.2047","0.215","","","","","","1.08","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550990","14.872","0.002","14.872","0.002","26.123","0.005","90","","90","","90","","5777.8","1.6","250","2","250","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C64 H38 N2 O32 Zr6 -","- C64 H34 N2 O32 Zr6 -","- C128 H68 N4 O64 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0758","0.0644","","","0.1924","0.2032","","","","","","1.11","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550991","13.8478","0.0002","18.2868","0.0002","28.8141","0.0002","95.321","0.001","96.59","0.001","92.188","0.001","7208.41","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C141 H188 Br4 Cl10 O8 P4 Pd4 -","- C141 H188 Br4 Cl9.9999 O8 P4 Pd4 -","- C282 H376 Br8 Cl19.9998 O16 P8 Pd8 -","2","1","","Kubota, Koji; Takahashi, Rina; Ito, Hajime","Mechanochemistry allows carrying out sensitive organometallic reactions in air: Glove-box-and-Schlenk-line-free synthesis of oxidative addition complexes from aryl halides and palladium(0)","Chemical Science","2019","","","","","10.1039/C9SC01711A","","x-ray","1.54184","CuKα","","0.0594","0.0538","","","0.1505","0.1539","","","","","","1.095","","","","has coordinates,has disorder","214981","2020-10-21","18:00:00",""
"1550992","15.2045","0.0003","19.1034","0.0003","20.0726","0.0003","90","","91.3424","0.0013","90","","5828.64","0.17","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H80 N10 O2 -","- C66 H80 N10 O2 -","- C264 H320 N40 O8 -","4","1","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.0531","0.0456","","","0.1311","0.1366","","","","","","1.066","","","","has coordinates,has disorder","215020","2020-10-21","18:00:00",""
"1550993","11.2403","0.0002","16.0729","0.0002","17.983","0.0003","90","","91.9104","0.0017","90","","3247.08","0.09","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 Li2 N10 O6 -","- C56 H76 Li2 N10 O6 -","- C112 H152 Li4 N20 O12 -","2","0.5","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.0703","0.0593","","","0.1813","0.1949","","","","","","1.063","","","","has coordinates,has disorder","215020","2020-10-21","18:00:00",""
"1550994","12.4584","0.0012","13.8311","0.0012","16.8496","0.0014","83.132","0.007","89.742","0.007","66.134","0.009","2633","0.4","140.01","0.1","140.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C98 H144 K2 N10 O10 -","- C98 H144 K2 N10 O10 -","- C98 H144 K2 N10 O10 -","1","0.5","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.1591","0.0951","","","0.2621","0.3248","","","","","","0.979","","","","has coordinates,has disorder","215020","2020-10-21","18:00:00",""
"1550995","12.5606","0.0006","14.7631","0.0006","16.2731","0.0008","95.28","0.004","100.912","0.004","98.331","0.004","2909.5","0.2","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C60 H66 N8 -","- C60 H66 N8 -","- C120 H132 N16 -","2","1","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.0723","0.0481","","","0.1261","0.1417","","","","","","0.989","","","","has coordinates","215020","2020-10-21","18:00:00",""
"1550996","12.8101","0.0009","22.708","0.0015","23.9152","0.0016","91.897","0.005","104.054","0.006","98.399","0.006","6659.1","0.8","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C64 H76 N8 O -","- C64 H76 N8 O -","- C256 H304 N32 O4 -","4","2","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.1845","0.0764","","","0.1716","0.2388","","","","","","0.92","","","","has coordinates","215020","2020-10-21","18:00:00",""
"1550997","21.3616","0.0017","9.0556","0.0007","15.3872","0.0012","90","","94.439","0.003","90","","2967.6","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 S4 -","- C34 H42 S4 -","- C136 H168 S16 -","4","0.5","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0603","0.0578","","","0.1568","0.1595","","","","","","1.055","","","","has coordinates,has disorder","215021","2020-10-21","18:00:00",""
"1550998","10.1337","0.001","12.5991","0.0013","30.3","0.003","90","","90","","90","","3868.6","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Br2 S2 -","- C20 H24 Br2 S2 -","- C160 H192 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0251","0.0199","","","0.0433","0.0446","","","","","","1.049","","","","has coordinates","215021","2020-10-21","18:00:00",""
"1550999","12.542","0.0006","9.1015","0.0005","28.8047","0.0015","90","","90","","90","","3288.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br2 S2 -","- C15.9992 H19.9986 Br2 S2 -","- C127.994 H159.989 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0184","0.0173","","","0.0405","0.0409","","","","","","1.062","","","","has coordinates,has disorder","215021","2020-10-21","18:00:00",""
"1551000","12.6756","0.0009","13.0518","0.0008","21.4971","0.0015","80.777","0.002","87.931","0.002","73.976","0.002","3374","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tBudmxFe2Mes2","","- C67 H78 Fe2 N4 O -","- C67 H78 Fe2 N4 O -","- C134 H156 Fe4 N8 O2 -","2","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0623","0.0409","","","0.0924","0.1001","","","","","","1.028","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551001","12.7553","0.0007","25.2117","0.0013","17.9429","0.001","90","","92.873","0.001","90","","5762.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","tBudmxFe2OCl2Cp2Co","","- C63 H74 Cl2 Co Fe2 N4 O3 -","- C63 H74 Cl2 Co Fe2 N4 O3 -","- C252 H296 Cl8 Co4 Fe8 N16 O12 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0475","0.0328","","","0.0829","0.0872","","","","","","1.011","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551002","19.775","0.002","12.6596","0.0014","18.9582","0.0017","90","","115.027","0.003","90","","4300.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tBudmxFe2O","","- C49 H56 Fe2 N4 O2 -","- C49 H56 Fe2 N4 O2 -","- C196 H224 Fe8 N16 O8 -","4","0.5","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0999","0.0551","","","0.0959","0.1094","","","","","","1.048","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551003","19.2846","0.0013","12.6737","0.0009","26.2797","0.0018","90","","102.879","0.001","90","","6261.4","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[TEA][tBudmxFe2(OH)Cl2]","","- C65 H91 Cl2 Fe2 N5 O4 -","- C65 H93 Cl2 Fe2 N5 O4 -","- C260 H372 Cl8 Fe8 N20 O16 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0612","0.045","","","0.0895","0.0956","","","","","","1.018","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551004","18.8507","0.001","21.166","0.0011","21.1905","0.0011","90","","95.055","0.001","90","","8422","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tBudmxFe2(OH)(thf)2][BPh4]","","- C95 H121 B Fe2 N4 O7.5 -","- C95 H121 B Fe2 N4 O7.5 -","- C380 H484 B4 Fe8 N16 O30 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0891","0.0542","","","0.1346","0.1511","","","","","","1.017","","","","has coordinates,has disorder","215022","2020-10-21","18:00:00",""
"1551005","19.178","0.003","13.2068","0.0014","20.033","0.003","90","","118.6","","90","","4454.8","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tBudmxFe2OCl2","","- C49 H56 Cl2 Fe2 N4 O2 -","- C49 H56 Cl2 Fe2 N4 O2 -","- C196 H224 Cl8 Fe8 N16 O8 -","4","0.5","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.1298","0.0717","","","0.1593","0.1862","","","","","","1.027","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551006","17.416","0.003","15.512","0.002","24.559","0.004","90","","106.397","0.003","90","","6364.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tBudmxFe2OHMesthf","","- C68.09 H91.24 Fe2 N4 O4.53 -","- C68.708 H92.77 Fe2 N4 O4.677 -","- C274.832 H371.08 Fe8 N16 O18.708 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.2133","0.0836","","","0.1477","0.1915","","","","","","0.981","","","","has coordinates,has disorder","215022","2020-10-21","18:00:00",""
"1551007","13.1945","0.0007","13.5726","0.0007","15.149","0.0008","101.961","0.002","107.748","0.002","90.828","0.002","2518.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","NK-7-165","","","- C52 H62 Au F3 N3 O5.5 S -","- C52 H62 Au F3 N3 O5.5 S -","- C104 H124 Au2 F6 N6 O11 S2 -","2","1","","Widenhoefer, Ross; Kim, Nana","Ionization of Gold (gamma-Methoxy)vinyl Complexes Generates Reactive Gold Vinyl Carbene Complexes","Chemical Science","2019","","","","","10.1039/C9SC01574D","","","0.71073","MoKα","","0.0591","0.0464","","","0.1038","0.11","","","","","","1.067","","","","has coordinates,has disorder","215032","2020-10-21","18:00:00",""
"1551008","13.8289","0.0014","17.3327","0.0017","29.608","0.004","83.044","0.012","80.705","0.009","69.477","0.01","6543.1","1.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H218 B2 F8 Fe N10 O3 -","- C134 H218 B2 F8 Fe N10 O3 -","- C268 H436 B4 F16 Fe2 N20 O6 -","2","1","","Akiyoshi, Ryohei; Hirota, Yuma; Kosumi, Daisuke; Tsutsumi, Mayu; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Ferroelectric metallomesogens composed of achiral spin crossover molecules","Chemical Science","2019","","","","","10.1039/C9SC01229J","","","0.71075","MoKα","","0.2548","0.1571","","","0.3436","0.4289","","","","","","1.14","","","","has coordinates","215033","2020-10-21","18:00:00",""
"1551009","14.063","0.004","17.387","0.004","29.844","0.008","82.385","0.006","82.783","0.007","68.932","0.005","6725","3","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H218 B2 F8 N10 O3 Zn -","- C134 H218 B2 F8 N10 O3 Zn -","- C268 H436 B4 F16 N20 O6 Zn2 -","2","1","","Akiyoshi, Ryohei; Hirota, Yuma; Kosumi, Daisuke; Tsutsumi, Mayu; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Ferroelectric metallomesogens composed of achiral spin crossover molecules","Chemical Science","2019","","","","","10.1039/C9SC01229J","","","1.54187","CuKα","","0.1755","0.123","","","0.3126","0.3473","","","","","","1.066","","","","has coordinates,has disorder","215033","2020-10-21","18:00:00",""
"1551010","10.7724","0.0013","15.7829","0.0012","9.9065","0.0012","90","","116.778","0.015","90","","1503.7","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 F O2 -","- C16 H19 F O2 -","- C64 H76 F4 O8 -","4","1","","Wu, Xiaoyan; Fan, Junjie; Fu, Chunling; Ma, Shengming","Ruthenium(II)-Catalyzed C-H Allenylation-Based Approach to Allenoic Acids","Chemical Science","2019","","","","","10.1039/C9SC00603F","","","0.71073","MoKα","","0.0962","0.0602","","","0.1483","0.1764","","","","","","1.041","","","","has coordinates","215034","2020-10-21","18:00:00",""
"1551011","9.3566","0.0006","9.3566","0.0006","19.436","0.002","90","","90","","120","","1473.6","0.2","93","","93","","","","","","","","","3","P 31","P 31","144","","","","- C28 H20 O2 -","- C28 H20 O2 -","- C84 H60 O6 -","3","1","","Oi, Miku; TAKITA, Ryo; Kanazawa, Junichiro; Muranaka, Atsuya; Wang, Chao; Uchiyama, Masanobu","Organocopper Cross-coupling Reaction for C‒C Bond Formation on Highly Sterically Hindered Structures","Chemical Science","2019","","","","","10.1039/C9SC00891H","","","1.54187","CuKα","","","0.0431","","","","0.0943","","","","","","1.039","","","","has coordinates","215035","2020-10-21","18:00:00",""
"1551029","40.0152","0.0008","12.8645","0.0003","23.9666","0.0006","90","","102.621","0.002","90","","12039.3","0.5","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.2 H70.2 Cl2.6 N6 Ni O0.4 -","- C65.2 H70.2 Cl2.6 N6 Ni O0.4 -","- C521.6 H561.6 Cl20.8 N48 Ni8 O3.2 -","8","1","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54184","CuKα","","0.0851","0.0719","","","0.2039","0.2171","","","","","","1.025","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551030","24.352","0.005","26.043","0.004","16.592","0.003","90","","122.777","0.003","90","","8847","3","93","2","93","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C201 H227 N18 Ni3 -","- C201 H229 N18 Ni3 -","- C402 H458 N36 Ni6 -","2","0.5","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54187","CuKα","","0.0667","0.0586","","","0.1502","0.1558","","","","","","1.038","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551031","11.3078","0.0007","21.1896","0.0011","25.4949","0.0017","90","","100.698","0.003","90","","6002.6","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H73 Br Cl2 N6 Ni -","- C66 H73 Br Cl2 N6 Ni -","- C264 H292 Br4 Cl8 N24 Ni4 -","4","1","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54187","CuKα","","0.0863","0.0819","","","0.2541","0.2591","","","","","","1.034","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551032","14.2135","0.0004","17.6443","0.0008","26.4127","0.0011","76.353","0.004","82.03","0.003","78.35","0.003","6275.5","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H72 Cl5 N6 Ni -","- C66.5 H71 Cl5 N6 Ni -","- C266 H284 Cl20 N24 Ni4 -","4","2","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54184","CuKα","","0.1945","0.1495","","","0.3772","0.4111","","","","","","1.42","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1551033","16.4887","0.0002","17.6517","0.0002","18.6605","0.0002","82.386","0.001","73.352","0.001","69.529","0.001","4871.78","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H100 I2 N12 Ni2 -","- C110 H100 I2 N12 Ni2 -","- C220 H200 I4 N24 Ni4 -","2","1","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54184","CuKα","","0.087","0.0686","","","0.1871","0.2004","","","","","","1.047","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551034","7.6808","0.0003","25.6538","0.001","12.9991","0.0004","90","","99.342","0.003","90","","2527.39","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B3 P Zn -","- C24 H32 B3 P Zn -","- C96 H128 B12 P4 Zn4 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71073","MoKα","","0.065","0.0384","","","0.082","0.0887","","","","","","1.032","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551035","9.5556","0.0005","17.7457","0.0008","11.4846","0.0005","90","","96.792","0.004","90","","1933.79","0.16","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 B2 Mg N4 -","- C17 H23 B2 Mg N4 -","- C68 H92 B8 Mg4 N16 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71073","MoKα","","0.0717","0.045","","","0.1149","0.1243","","","","","","1.059","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551036","11.1233","0.0012","10.5994","0.0011","11.2028","0.0012","90","","90","","90","","1320.8","0.2","298","","298","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","Ca-pyz","","","- C8 H16 B2 Ca N4 -","- C8 H16 B2 Ca N4 -","- C32 H64 B8 Ca4 N16 -","4","0.25","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","powder diffraction","","1","synchrotron","","","","","","","","","","2.6101","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551037","9.679","0.002","17.812","0.004","11.672","0.003","90","","96.918","0.003","90","","1997.6","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 B2 Mn N4 -","- C17 H20 B2 Mn N4 -","- C68 H80 B8 Mn4 N16 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0651","0.0489","","","0.1181","0.1295","","","","","","1.108","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551038","26","0.008","9.727","0.003","18.685","0.006","90","","97.15","0.005","90","","4689","3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 B2 Mn N4 -","- C20 H26 B2 Mn N4 -","- C160 H208 B16 Mn8 N32 -","8","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0905","0.0737","","","0.2044","0.222","","","","","","1.087","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551039","23.105","0.005","13.814","0.003","14.339","0.003","90","","90.514","0.003","90","","4576.4","1.7","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 B2 Mn N4 -","- C20 H26 B2 Mn N4 -","- C160 H208 B16 Mn8 N32 -","8","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0652","0.0553","","","0.1426","0.1513","","","","","","1.07","","","","has coordinates,has disorder","215123","2020-10-21","18:00:00",""
"1551040","5.155","0.003","13.178","0.007","11.242","0.006","90","","94.764","0.008","90","","761.1","0.7","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6.5 H11 B Mn0.5 N -","- C6.5 H11 B Mn0.5 N -","- C26 H44 B4 Mn2 N4 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0552","0.0464","","","0.0854","0.0892","","","","","","1.152","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551041","8.0381","0.0003","11.3074","0.0003","14.0676","0.0004","79.486","0.002","89.486","0.002","71.225","0.003","1188.54","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 B4 N4 Zn2 -","- C20 H32 B4 N4 Zn2 -","- C40 H64 B8 N8 Zn4 -","2","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71073","MoKα","","0.0517","0.0333","","","0.078","0.0844","","","","","","1.044","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551042","5.2876","0.0003","10.9187","0.0007","12.7971","0.0007","91.996","0.005","90.216","0.005","94.748","0.005","735.83","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 B2 N2 Zn -","- C13 H22 B2 N2 Zn -","- C26 H44 B4 N4 Zn2 -","2","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","x-ray","0.71073","MoKα","","0.0553","0.0484","","","0.1272","0.1302","","","","","","1.078","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551043","9.794","0.005","10.087","0.005","12.178","0.005","103.895","0.005","99.016","0.005","98.093","0.005","1133.3","0.9","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 B2 Mn N5 -","- C21 H29 B2 Mn N6 -","- C42 H58 B4 Mn2 N12 -","2","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71069","MoKα","","0.1744","0.0916","","","0.1512","0.1897","","","","","","1.063","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551044","10.179","0.002","15.499","0.004","15.438","0.004","90","","107.261","0.003","90","","2325.9","1","183","2","183","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 B2 Mn N4 S2 -","- C20 H24 B2 Mn N4 S2 -","- C80 H96 B8 Mn4 N16 S8 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.074","0.0529","","","0.1092","0.1204","","","","","","1.058","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551045","46.455","0.005","46.455","0.005","46.455","0.005","90","","90","","90","","100253","19","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C324 H240 Cu12 N12 O108 Zn12 -","- C324 H144 Cu12 N12 O108 Zn12 -","- C1296 H576 Cu48 N48 O432 Zn48 -","4","0.0208333","","Lee, Jiyoung; Choi, Jae Sun; Jeong, Nak Cheon; Choe, Wonyoung","Formation of Trigons in a Metal-Organic Framework: The Role of Metal-Organic Polyhedron Subunits as Meta-Atoms","Chemical Science","2019","","","","","10.1039/C9SC00513G","","","0.7","synchrotron","","0.0971","0.0801","","","0.2707","0.2888","","","","","","1.298","","","","has coordinates,has disorder","215155","2020-10-21","18:00:00",""
"1551046","13.5671","0.0015","21.407","0.002","19.204","0.002","90","","108.995","0.002","90","","5273.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Mo(C4H6)(OSi(OtBu)3)3]","","- C40 H87 Mo O12 Si3 -","- C40 H87 Mo O12 Si3 -","- C160 H348 Mo4 O48 Si12 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.0795","0.05","","","0.1145","0.1286","","","","","","1.033","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551047","14.3543","0.0009","22.6953","0.0016","30.713","0.002","90","","98.374","0.002","90","","9898.9","1.1","103","2","103.6","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-N2)[Mo(TBOS)3]2","","- C72 H162 Mo2 N2 O24 Si6 -","- C72 H162 Mo2 N2 O24 Si6 -","- C288 H648 Mo8 N8 O96 Si24 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1208","0.0606","","","0.143","0.1782","","","","","","1.115","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551048","26.8309","0.0013","15.5455","0.0007","27.4545","0.0013","90","","117.032","0.002","90","","10200.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mo(CO)(TBOS)3]","","- C37 H81 Mo O13 Si3 -","- C37 H81 Mo O13 Si3 -","- C296 H648 Mo8 O104 Si24 -","8","2","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.0686","0.0413","","","0.0851","0.0984","","","","","","1.077","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551049","14.097","0.0003","46.8142","0.0014","23.0986","0.0005","90","","90.002","0.002","90","","15243.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Mo(NO)(TBOS)3]","","- C36 H81 Mo N O13 Si3 -","- C36 H81 Mo N O13 Si3 -","- C432 H972 Mo12 N12 O156 Si36 -","12","3","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1189","0.0879","","","0.1424","0.1529","","","","","","1.184","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551050","9.2016","0.0004","22.5836","0.0008","24.6875","0.0008","90","","90.757","0.003","90","","5129.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Mo(C2H4)(OSi(OtBu)3)3]","","- C38 H85 Mo O12 Si3 -","- C38 H85 Mo O12 Si3 -","- C152 H340 Mo4 O48 Si12 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1153","0.0777","","","0.1177","0.1292","","","","","","1.094","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551051","18.388","0.019","22.712","0.006","26.4","0.03","90","","150.1","0.3","90","","5496","5","104","4","104","4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mo(C4H8)(OSi(OtBu)3)3]","","- C40 H89 Mo O12 Si3 -","- C40 H89 Mo O12 Si3 -","- C160 H356 Mo4 O48 Si12 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1431","0.0908","","","0.162","0.1903","","","","","","1.095","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551052","18.0787","0.0005","23.6043","0.0008","36.5549","0.0012","90","","103.07","0.001","90","","15195.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mo(O)(TBOS)3]","","- C36 H81 Mo O13 Si3 -","- C36 H81 Mo O13 Si3 -","- C432 H972 Mo12 O156 Si36 -","12","3","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.0638","0.0444","","","0.092","0.1013","","","","","","1.023","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551053","14.2373","0.0007","17.8493","0.0007","19.9245","0.0009","100.521","0.004","95.866","0.004","93.602","0.003","4934.9","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","[Mo(TBOS)3]","","- C36 H81 Mo O12 Si3 -","- C36 H81 Mo O12 Si3 -","- C144 H324 Mo4 O48 Si12 -","4","2","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1606","0.0855","","","0.1594","0.1981","","","","","","0.959","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551054","13.8093","0.0007","23.8436","0.0013","31.356","0.0016","81.009","0.005","85.125","0.004","89.85","0.004","10160","0.9","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","[Mo(N)(TBOS)3]","","- C36 Mo N O12 Si3 -","- C36 Mo N O12 Si3 -","- C288 Mo8 N8 O96 Si24 -","8","4","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.3459","0.1506","","","0.357","0.4874","","","","","","1.004","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551055","11.2723","0.0004","14.4121","0.0005","15.9112","0.0005","81.41","0.003","77.802","0.003","77.284","0.003","2450.19","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H96 Mg3 N6 O26 -","- C88 H48 Mg3 O20 -","- C88 H48 Mg3 O20 -","1","0.5","","Gladysiak, Andrzej; Nguyen, Tu Ngoc; Bounds, Richard; Zacharia, Anna; Itskos, Grigorios; Reimer, Jeffrey; Stylianou, Kyriakos","Temperature-dependent Interchromophoric Interaction in a Fluorescent Pyrene-based Metal‒organic Framework","Chemical Science","2019","","","","","10.1039/C9SC01422E","","x-ray","0.7142","synchrotron","","0.0726","0.0701","","","0.207","0.2105","","","","","","1.086","","","","has coordinates","215157","2020-10-21","18:00:00",""
"1551056","11.4034","0.0005","14.6274","0.0005","16.1091","0.0007","80.439","0.003","77.037","0.004","75.856","0.003","2521.5","0.18","350","","350","","","","","","","","","5","P -1","-P 1","2","","","","- C96.38 H67.56 Mg3 N2.79 O22.79 -","- C88 H48 Mg3 O20 -","- C88 H48 Mg3 O20 -","1","0.5","","Gladysiak, Andrzej; Nguyen, Tu Ngoc; Bounds, Richard; Zacharia, Anna; Itskos, Grigorios; Reimer, Jeffrey; Stylianou, Kyriakos","Temperature-dependent Interchromophoric Interaction in a Fluorescent Pyrene-based Metal‒organic Framework","Chemical Science","2019","","","","","10.1039/C9SC01422E","","x-ray","0.7142","synchrotron","","0.112","0.1059","","","0.3011","0.3093","","","","","","1.238","","","","has coordinates","215157","2020-10-21","18:00:00",""
"1551070","11.2225","0.001","6.4382","0.0006","14.0893","0.0013","90","","99.6595","0.0018","90","","1003.56","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O -","- C26 H23 N O -","- C52 H46 N2 O2 -","2","1","","Alexy, Eric J.; Fulton, Tyler J.; Zhang, Haiming; Stoltz, Brian M.","Palladium-catalyzed enantioselective decarboxylative allylic alkylation of fully substituted N-acyl indole-derived enol carbonates","Chemical Science","2019","","","","","10.1039/C9SC01726G","","","1.54178","CuKα","","0.0265","0.0265","","","0.0681","0.0682","","","","","","1.038","","","","has coordinates","215290","2020-10-21","18:00:00",""
"1551071","10.581","0.003","10.581","0.003","12.329","0.003","90","","90","","120","","1195.4","0.6","100","2","100","2","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C12 H25 Cl3 Co N4 -","- C12 H25 Cl3 Co N4 -","- C36 H75 Cl9 Co3 N12 -","3","","","Murrie, Mark; Hay, Moya; Sarkar, Arup; Craig, Gavin A.; Bhaskaran, Lakshmi; Nehrkorn, Joscha; Ozerov, Mykhaylo; Marriott, Katie; Wilson, Claire; Rajaraman, Gopalan; Hill, Stephen","In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co(II)","Chemical Science","2019","","","","","10.1039/C9SC00987F","","","0.71075","MoKα","","0.0453","0.0376","","","0.0644","0.0674","","","","","","1.105","","","","has coordinates","215336","2020-10-21","18:00:00",""
"1551072","9.462","0.002","14.849","0.004","14.515","0.004","90","","108.674","0.005","90","","1932","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H29 Br N2 O4 S -","- C42 H29 Br N2 O4 S -","- C84 H58 Br2 N4 O8 S2 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1443","0.0767","","","0.1764","0.1943","","","","","","1.078","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551073","11.153","0.002","11.57","0.002","25.918","0.004","90","","90","","90","","3344.5","1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Br N2 O3 -","- C39 H35 Br N2 O3 -","- C156 H140 Br4 N8 O12 -","4","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1314","0.0597","","","0.1475","0.1773","","","","","","1.03","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551074","15.033","0.005","8.026","0.002","18.952","0.006","90","","93.392","0.006","90","","2282.6","1.2","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H33 Br N2 O4 S -","- C48 H33 Br N2 O4 S -","- C96 H66 Br2 N4 O8 S2 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1054","0.064","","","0.1739","0.206","","","","","","0.994","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551075","8.5449","0.0016","11.993","0.002","13.598","0.002","90","","104.922","0.003","90","","1346.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 Br N2 O2 -","- C35 H25 Br N2 O2 -","- C70 H50 Br2 N4 O4 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.0535","0.0368","","","0.0799","0.0859","","","","","","0.963","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551076","15.0667","0.0004","15.0667","0.0004","22.0098","0.0009","90","","90","","120","","4327","0.2","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C35 H25 Br N2 O2 -","- C35 H25 Br N2 O2 -","- C210 H150 Br6 N12 O12 -","6","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.0574","0.0439","","","0.0885","0.1009","","","","","","1.057","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551078","9.2333","0.0006","10.316","0.0007","11.4148","0.0008","94.362","0.003","91.419","0.002","116.416","0.003","968.83","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Triethyldiphosphonium NDI dication","'N,N-dibenzyl-2,6-triethyldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide-bis-tetrafluoroborate' ?","","- C40 H46 B2 F8 N2 O4 P2 -","- C40 H46 B2 F8 N2 O4 P2 -","- C40 H46 B2 F8 N2 O4 P2 -","1","0.5","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.0499","0.0467","","","0.1423","0.1471","","","","","","1.1","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551079","11.567","0.0016","17.559","0.003","15.777","0.002","90","","98.559","0.004","90","","3168.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Triphenyldiphosphonium NDI dication","'N,N-di-2,6-diisopropylphenyl-2,6-triphenylldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide-bis-tetrafluoroborate' ?","","- C74 H66 B2 F8 N2 O4 P2 -","- C74 H66 B2 F8 N2 O4 P2 -","- C148 H132 B4 F16 N4 O8 P4 -","2","0.5","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.1548","0.0835","","","0.1996","0.2258","","","","","","1.209","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551080","18.1243","0.0013","12.7829","0.001","19.6169","0.0019","90","","117.061","0.002","90","","4047.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Triethyldiphosphonium NDI direduced","'N,N-dibenzyl-2,6-triethyldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide' ?","","- C40 H46 N2 O4 P2 -","- C40 H46 N2 O4 P2 -","- C160 H184 N8 O16 P8 -","4","1","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.0318","0.0312","","","0.0861","0.0865","","","","","","1.021","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551081","11.0052","0.0006","13.5844","0.0007","14.2986","0.0008","103.374","0.002","94.28","0.003","111.83","0.002","1899.74","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Triphenyldiphosphonium NDI direduced","'N,N-di-2,6-diisopropylphenyl-2,6-triphenyldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide' ?","","- C82 H76 Cl4 N2 O4 P2 -","- C82 H76 Cl4 N2 O4 P2 -","- C82 H76 Cl4 N2 O4 P2 -","1","0.5","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.1144","0.0813","","","0.2181","0.2295","","","","","","1.393","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551082","6.2989","0.0003","10.0377","0.0005","17.5539","0.0009","90","","90","","90","","1109.87","0.1","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.0269","0.0268","","","0.0675","0.0676","","","","","","1.098","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551083","6.9109","0.0007","9.9938","0.0009","8.2507","0.0008","90","","92.496","0.005","90","","569.3","0.09","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.041","0.0387","","","0.0989","0.1018","","","","","","1.073","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551084","6.1412","0.0002","6.7002","0.0003","15.7738","0.0006","90","","94.466","0.002","90","","647.08","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.0398","0.0392","","","0.1028","0.1039","","","","","","1.05","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551085","5.8737","0.0006","8.6858","0.0008","7.0567","0.0007","90","","105.408","0.0018","90","","347.08","0.06","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Plutonium(III)tungstate hydrate","","","- O9 Pu W2 -","- O9 Pu W2 -","- O18 Pu2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0297","0.0245","","","0.0573","0.0595","","","","","","1.047","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551086","5.9437","0.0013","8.7122","0.0019","7.1181","0.0016","90","","105.854","0.003","90","","354.57","0.14","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cerium tungstate hydrate","","","- Ce H2 O9 W2 -","- Ce O9 W2 -","- Ce2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0241","0.0192","","","0.0374","0.0386","","","","","","1.057","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551087","5.904","0.0001","8.7129","0.0001","7.0935","0.0001","90","","105.695","0.001","90","","351.291","0.009","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Praseodymium tungstate hydrate","","","- O9 Pr W2 -","- O9 Pr W2 -","- O18 Pr2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0104","0.0103","","","0.0259","0.0259","","","","","","1.213","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551088","5.868","0.0005","8.6979","0.0007","7.0601","0.0006","90","","105.388","0.0016","90","","347.42","0.05","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Plutonium(III)tungstate hydrate","","","- O9 Pu W2 -","- O9 Pu W2 -","- O18 Pu2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0242","0.02","","","0.0462","0.0474","","","","","","1.074","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551089","5.991","0.003","8.736","0.004","7.165","0.003","90","","106.044","0.004","90","","360.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lanthanum tungstate hydrate","","","- H0 La O9 W2 -","- La O9 W2 -","- La2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0352","0.033","","","0.0814","0.0822","","","","","","1.22","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551090","5.3379","0.0012","12.626","0.003","6.7606","0.0015","90","","111.475","0.006","90","","424.01","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Americium(III) tungstate hydroxide","","","- Am H O5 W -","- Am O5 W -","- Am4 O20 W4 -","4","1","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0318","0.0232","","","0.0424","0.0443","","","","","","1.095","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551091","5.9121","0.0005","8.7194","0.0007","7.1024","0.0006","90","","105.7","0.001","90","","352.47","0.05","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Neodymium tungstate hydrate","","","- Nd O9 W2 -","- Nd O9 W2 -","- Nd2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0251","0.021","","","0.0464","0.0481","","","","","","1.081","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551093","15.8225","0.0007","19.4848","0.0009","21.1157","0.001","70.092","0.003","81.078","0.003","72.501","0.002","5827.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H77 Br Cu3 F9 N15 O12 -","- C105 H77 Br Cu3 F9 N15 O12 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","2","1","","Benyettou, Farah; Prakasam, Thirumurugan; Ramdas Nair, Anjana; Witzel, Ini-Isabee; Alhashimi, Marwa; Skorjanc, Tina; Olsen, John-Carl; Sadler, Kirsten C.; Trabolsi, Ali","Potent and selective in vitro and in vivo antiproliferative effects of metal–organic trefoil knots","Chemical Science","2019","","","","","10.1039/C9SC01218D","","","1.54178","CuKα","","0.1278","0.1101","","","0.3088","0.3225","","","","","","1.364","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551094","7.469","0.003","7.941","0.004","19.929","0.008","90","","90.051","0.014","90","","1182","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.0836","0.0623","","","0.1648","0.194","","","","","","1.078","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551095","6.7561","0.0003","8.5826","0.0005","14.0541","0.0008","90.518","0.002","90.543","0.002","103.168","0.002","793.41","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O -","- C20 H21 N O -","- C40 H42 N2 O2 -","2","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.0506","0.0466","","","0.1205","0.1247","","","","","","1.037","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551096","3.9037","0.0004","39.676","0.005","7.6371","0.0009","90","","98.326","0.003","90","","1170.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.0452","0.0422","","","0.11","0.1129","","","","","","1.075","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551097","8.3841","0.0009","13.7451","0.0015","14.1044","0.0015","90.77","0.003","97.215","0.003","94.98","0.003","1606","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Cl N O -","- C19 H18 Cl N O -","- C76 H72 Cl4 N4 O4 -","4","2","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.1365","0.0641","","","0.1312","0.1607","","","","","","1.019","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551098","13.421","0.002","9.1933","0.0015","14.5321","0.0018","90","","91.484","0.004","90","","1792.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl N O3 -","- C21 H18 Cl N O3 -","- C84 H72 Cl4 N4 O12 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.1943","0.1746","","","0.4876","0.5549","","","","","","2.432","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551099","9.257","0.0003","14.932","0.0003","11.4194","0.0003","90","","109.589","0.001","90","","1487.09","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.046","0.0399","","","0.0977","0.1028","","","","","","1.019","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551100","21.538","0.0008","15.2994","0.0007","51.669","0.002","90","","94.602","0.001","90","","16971","1.2","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62.25 H80.37 N17.12 O13 P -","- C65 H69.5 N17.5 O14 P -","- C520 H556 N140 O112 P8 -","8","2","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","","0.71073","MoKα","","0.1222","0.0916","","","0.2709","0.2966","","","","","","1.061","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551101","22.5953","0.0016","26.3348","0.0018","19.0456","0.0012","90","","103.18","0.004","90","","11034.4","1.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C95 H147 N17 O15 P -","- C95 H102 N17 O15 P -","- C380 H408 N68 O60 P4 -","4","1","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","","1.54178","CuKα","","0.1703","0.1108","","","0.272","0.3009","","","","","","1.048","","","","has coordinates","215430","2020-10-21","18:00:00",""
"1551102","35.9168","0.0011","35.9168","0.0011","32.8056","0.0014","90","","90","","90","","42320","3","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C85 H126 N17 O17 P -","- C82.5 H84 N17 O17 P -","- C1320 H1344 N272 O272 P16 -","16","","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","x-ray","0.71073","MoKα","","0.161","0.1007","","","0.282","0.3029","","","","","","1.169","","","","has coordinates","215430","2020-10-21","18:00:00",""
"1551142","7.5586","0.0001","9.2085","0.0001","30.8403","0.0005","90","","90","","90","","2146.59","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 B N2 -","- C24 H31 B N2 -","- C96 H124 B4 N8 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0429","0.042","","","0.1196","0.1205","","","","","","1.146","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551143","8.5612","0.0001","15.4461","0.0002","15.9652","0.0003","90","","90","","90","","2111.19","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B N2 -","- C23 H29 B N2 -","- C92 H116 B4 N8 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0465","0.0455","","","0.109","0.1107","","","","","","1.083","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551144","7.7655","0.0001","12.1708","0.0001","22.3907","0.0002","90","","90","","90","","2116.2","0.04","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B N2 O -","- C23 H29 B N2 O -","- C92 H116 B4 N8 O4 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0371","0.0364","","","0.1027","0.104","","","","","","1.04","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551145","9.3302","0.00015","9.63981","0.00015","19.2808","0.0003","87.0024","0.0011","88.5252","0.0012","67.0902","0.001","1595.14","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Br3 N2 Si -","- C30 H41 Br3 N2 Si -","- C60 H82 Br6 N4 Si2 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0762","0.0568","","","0.1479","0.1584","","","","","","0.974","","","","has coordinates","215508","2020-10-21","18:00:00",""
"1551146","10.4358","0.0006","19.1606","0.0005","24.4753","0.0008","90","","95.466","0.003","90","","4871.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H69 Cl3 N2 Si6 -","- C39 H69 Cl3 N2 Si6 -","- C156 H276 Cl12 N8 Si24 -","4","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.1118","0.0768","","","0.1865","0.2177","","","","","","1.032","","","","has coordinates,has disorder","215508","2020-10-21","18:00:00",""
"1551147","10.3993","0.0007","12.5264","0.0007","18.4455","0.0011","88.449","0.003","85.965","0.004","75.29","0.003","2318.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H68 N2 Si5 -","- C39 H68 N2 Si5 -","- C78 H136 N4 Si10 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0631","0.0526","","","0.151","0.1667","","","","","","1.159","","","","has coordinates","215508","2020-10-21","18:00:00",""
"1551148","11.361","0.0002","18.2937","0.0004","11.6759","0.0002","90","","105.758","0.0008","90","","2335.45","0.08","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H69 N3 Si5 -","- C40 H69 N3 Si5 -","- C80 H138 N6 Si10 -","2","0.5","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0825","0.0786","","","0.2237","0.2282","","","","","","1.01","","","","has coordinates,has disorder","215508","2020-10-21","18:00:00",""
"1551149","10.1314","0.0004","13.5879","0.0006","18.6001","0.0007","78.391","0.003","85.188","0.002","77.406","0.003","2445.7","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H64 N2 P4 Si5 -","- C39 H64 N2 P4 Si5 -","- C78 H128 N4 P8 Si10 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.072","0.0603","","","0.1709","0.1837","","","","","","1.035","","","","has coordinates","215508","2020-10-21","18:00:00",""
"1551150","20.6562","0.0005","13.3097","0.0003","19.844","0.0005","90","","109.658","0.0009","90","","5137.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H71 F3 N2 O3 S Si5 -","- C41 H71 F3 N2 O3 S Si5 -","- C164 H284 F12 N8 O12 S4 Si20 -","4","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0344","0.0319","","","0.0904","0.0932","","","","","","1.032","","","","has coordinates,has disorder","215508","2020-10-21","18:00:00",""
"1551151","21.3924","0.0002","18.277","0.0001","22.9162","0.0003","90","","90","","90","","8959.98","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H71 B Mg N4 O2 -","- C44 H71 B Mg N4 O2 -","- C352 H568 B8 Mg8 N32 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0765","0.0653","","","0.1585","0.1655","","","","","","1.067","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551152","23.0251","0.0003","18.0591","0.0002","22.6756","0.0002","90","","112.285","0.001","90","","8724.55","0.18","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 B Mg N3 O2 -","- C46 H68 B Mg N3 O2 -","- C368 H544 B8 Mg8 N24 O16 -","8","2","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0685","0.0592","","","0.1484","0.1545","","","","","","1.032","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1551153","12.10496","0.00012","22.2539","0.0002","18.11019","0.00016","90","","98.9416","0.0009","90","","4819.28","0.08","149.9","0.3","149.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B Mg N3 O2 -","- C54 H68 B Mg N3 O2 -","- C216 H272 B4 Mg4 N12 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0561","0.045","","","0.1076","0.1142","","","","","","1.025","","","","has coordinates,has disorder","215509","2020-10-21","18:00:00",""
"1551154","20.5267","0.0001","19.7717","0.0001","21.7073","0.0001","90","","90","","90","","8809.86","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H68 B Mg N3 O2 -","- C46 H68 B Mg N3 O2 -","- C368 H544 B8 Mg8 N24 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.048","0.0448","","","0.1168","0.1198","","","","","","1.032","","","","has coordinates,has disorder","215509","2020-10-21","18:00:00",""
"1551155","11.8747","0.0005","20.2674","0.0006","18.1008","0.0007","90","","90.243","0.004","90","","4356.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 B Mg N3 O2 -","- C48 H64 B Mg N3 O2 -","- C192 H256 B4 Mg4 N12 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0919","0.0675","","","0.1491","0.162","","","","","","1.056","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551156","18.6101","0.0002","15.4868","0.0002","17.9575","0.0002","90","","103.065","0.01","90","","5041.6","0.2","291.55","0.1","291.55","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H75 B Mg N4 O2 -","- C54 H75 B Mg N4 O2 -","- C216 H300 B4 Mg4 N16 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1013","0.1056","","","","","","1.04","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551157","11.9947","0.0003","21.8853","0.0005","19.2733","0.0003","90","","98.837","0.002","90","","4999.33","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H75 B Mg N3 O2 -","- C57 H75 B Mg N3 O2 -","- C228 H300 B4 Mg4 N12 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0783","0.0525","","","0.1189","0.1316","","","","","","1.033","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551158","11.0413","0.0008","11.5237","0.0007","17.5561","0.0011","82.531","0.005","82.771","0.006","84.24","0.005","2189.2","0.3","149.9","0.4","149.9","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 B Mg N3 O2 -","- C48 H64 B Mg N3 O2 -","- C96 H128 B2 Mg2 N6 O4 -","2","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.1234","0.0684","","","0.1173","0.1431","","","","","","1.033","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551163","10.4586","0.0016","10.5142","0.0016","11.4718","0.0017","66.542","0.003","65.408","0.003","79.755","0.003","1052.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Yb2 -","- C40 H46 N8 O14 Yb2 -","- C40 H46 N8 O14 Yb2 -","1","0.5","","Brunet, Gabriel; Marin, Riccardo; Monks, Melissa-Jane; Resch-Genger, Ute; Galico, Diogo Alves; Sigoli, Fernando Aparecido; Suturina, Elizaveta A.; Hemmer, Eva; Murugesu, Muralee","Exploring the dual functionality of an ytterbium complex for molecular optical thermometry and slow magnetic relaxation","Chemical Science","2019","","","","","10.1039/C9SC00343F","","","0.71073","MoKα","","0.0121","0.0115","","","0.0297","0.0299","","","","","","1.068","","","","has coordinates","215573","2020-10-21","18:00:00",""
"1551164","28.6201","0.001","28.6201","0.001","39.803","0.002","90","","90","","90","","32603","2","129","0.1","129","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- C228 H204 Cu24 N12 O144 -","- C228 H204 Cu24 N12 O144 -","- C456 H408 Cu48 N24 O288 -","2","0.125","","Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian","Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages","Chemical Science","2019","","","","","10.1039/C9SC01892A","","","0.71073","MoKα","","0.1727","0.0795","","","0.1971","0.2265","","","","","","0.819","","","","has coordinates,has disorder","215574","2020-10-21","18:00:00",""
"1551165","24.5209","0.001","25.3703","0.0007","37.0128","0.0012","88.01","0.002","79.07","0.003","75.949","0.003","21930.1","1.3","128.4","0.14","128.4","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C198 H145 Cu24 O139 S -","- C198 H145 Cu24 O139 S -","- C396 H290 Cu48 O278 S2 -","2","1","","Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian","Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages","Chemical Science","2019","","","","","10.1039/C9SC01892A","","","0.71073","MoKα","","0.1625","0.084","","","0.197","0.2263","","","","","","0.841","","","","has coordinates","215574","2020-10-21","18:00:00",""
"1551166","12.2358","0.0017","12.2358","0.0017","33.86","0.007","90","","90","","120","","4390.2","1.3","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C33 H24 O12 -","- C33 H24 O12 -","- C132 H96 O48 -","4","0.333333","","Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance","Chemical Science","2019","","","","","10.1039/C9SC00290A","","","0.71073","MoKα","","0.0734","0.0609","","","0.1758","0.1863","","","","","","1.076","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551167","22.67","0.003","22.67","0.003","16.778","0.003","90","","90","","120","","7467.5","1.9","153","2","153","2","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C41 H40 O16 -","- C33 H24 O12 -","- C198 H144 O72 -","6","0.5","","Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance","Chemical Science","2019","","","","","10.1039/C9SC00290A","","","0.71073","MoKα","","0.0897","0.0726","","","0.2186","0.236","","","","","","1.112","","","","has coordinates,has disorder","215593","2020-10-21","18:00:00",""
"1551168","3.8653","0.0002","15.5368","0.0008","19.505","0.0012","101.55","0.004","91.474","0.005","94.709","0.004","1142.7","0.11","160.15","","160.15","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H22 N4 -","- C33 H22 N4 -","- C66 H44 N8 -","2","1","","Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli","Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor","Chemical Science","2019","","","","","10.1039/C9SC01821B","","x-ray","1.34143","GaKα","","0.0682","0.047","","","0.1193","0.1287","","","","","","0.922","","","","has coordinates","215594","2020-10-21","18:00:00",""
"1551169","15.6193","0.0006","13.7087","0.0004","14.6312","0.0005","90","","94.394","0.003","90","","3123.63","0.19","180.15","","180.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N4 -","- C43 H32 N4 -","- C172 H128 N16 -","4","1","","Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli","Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor","Chemical Science","2019","","","","","10.1039/C9SC01821B","","x-ray","1.54186","CuKα","","0.0872","0.0547","","","0.1415","0.1569","","","","","","1.035","","","","has coordinates","215594","2020-10-21","18:00:00",""
"1551170","16.8932","0.0006","36.282","0.0011","13.0079","0.0005","90","","103.787","0.004","90","","7743.1","0.5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54 F3 N Ni P2 -","- C41 H54 F3 N Ni P2 -","- C328 H432 F24 N8 Ni8 P16 -","8","2","","Tobisu, Mamoru; Morioka, Toshifumi; Nakatani, Syun; Sakamoto, Yuki; Kodama, Takuya; Ogoshi, Sensuke; Chatani, Naoto","Nickel-Catalyzed Decarbonylation of N-Acylated N-Heteroarenes","Chemical Science","2019","","","","","10.1039/C9SC02035G","","","0.71075","MoKα","","0.1149","0.0825","","","0.2121","0.2308","","","","","","1.05","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1551171","13.2163","0.0003","19.2858","0.0003","17.1259","0.0003","90","","111.81","0.002","90","","4052.71","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 N Ni O P2 -","- C41 H61 N Ni O P2 -","- C164 H244 N4 Ni4 O4 P8 -","4","1","","Tobisu, Mamoru; Morioka, Toshifumi; Nakatani, Syun; Sakamoto, Yuki; Kodama, Takuya; Ogoshi, Sensuke; Chatani, Naoto","Nickel-Catalyzed Decarbonylation of N-Acylated N-Heteroarenes","Chemical Science","2019","","","","","10.1039/C9SC02035G","","","1.54184","CuKα","","0.1161","0.1119","","","0.28","0.2828","","","","","","1.117","","","","has coordinates","215595","2020-10-21","18:00:00",""
"1551172","11.51562","0.00004","10.67077","0.00003","29.25903","0.00009","90","","90","","90","","3595.37","0.02","102","1","102","1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C24 H42 Cl5 F3 N4 O3 P2 S -","- C24 H42 Cl5 F3 N4 O3 P2 S -","- C96 H168 Cl20 F12 N16 O12 P8 S4 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0211","0.021","","","0.0579","0.0579","","","","","","1.05","","","","has coordinates","215615","2020-10-21","18:00:00",""
"1551173","14.4005","0.0003","15.3233","0.0003","17.8619","0.0003","90","","100.914","0.0017","90","","3870.17","0.13","100","0.4","100","0.4","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 F6 Fe N4 O10 P2 S2 -","- C28 H40 F6 Fe N4 O10 P2 S2 -","- C112 H160 F24 Fe4 N16 O40 P8 S8 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","0.71073","MoKα","","0.0553","0.0453","","","0.113","0.1186","","","","","","1.061","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551174","14.98968","0.00008","19.89396","0.00013","25.71449","0.00016","90","","91.6799","0.0005","90","","7664.87","0.08","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H85 F9 N4 O6 P4 Pt S2 -","- C78 H85 F9 N4 O6 P4 Pt S2 -","- C312 H340 F36 N16 O24 P16 Pt4 S8 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0358","0.0323","","","0.0846","0.0875","","","","","","1.021","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551175","13.83853","0.00013","17.90754","0.00017","27.296","0.0002","101.396","0.0007","103.333","0.0008","104.366","0.0008","6138.79","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C39.44 H66.01 Cl3.37 F9 N6.88 O9 P7 S3 -","- C39.4425 H66.0065 Cl3.371 F9 N6.8785 O9 P7 S3 -","- C157.77 H264.026 Cl13.484 F36 N27.514 O36 P28 S12 -","4","2","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0466","0.0449","","","0.1247","0.1262","","","","","","1.078","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551176","19.31294","0.00018","16.76136","0.00017","23.1443","0.0002","90","","105.425","0.001","90","","7222.19","0.12","104.6","0.7","104.6","0.7","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H85 F12 N10 O12 P4 S4 -","- C52 H85 F12 N10 O12 P4 S4 -","- C208 H340 F48 N40 O48 P16 S16 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0613","0.0559","","","0.1547","0.1621","","","","","","1.026","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551177","23.067","0.0002","12.77419","0.00014","16.5509","0.00019","90","","103.711","0.001","90","","4737.95","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 F9 N6 O9 P3 S3 -","- C36 H60 F9 N6 O9 P3 S3 -","- C144 H240 F36 N24 O36 P12 S12 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","0.71073","MoKα","","0.0517","0.0393","","","0.0962","0.1023","","","","","","1.026","","","","has coordinates","215615","2020-10-21","18:00:00",""
"1551178","15.0248","0.00018","19.8179","0.0003","25.712","0.0004","90","","91.309","0.0012","90","","7654.01","0.19","100.1","0.7","100.1","0.7","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H85 F9 N4 O6 P4 Pd S2 -","- C78 H85 F9 N4 O6 P4 Pd S2 -","- C312 H340 F36 N16 O24 P16 Pd4 S8 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0644","0.0501","","","0.1234","0.1328","","","","","","1.015","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551179","30.6491","0.0006","11.9065","0.0002","20.2311","0.0005","90","","91.738","0.002","90","","7379.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H85 Au Cl7 F9 N8 O9 P4 S3 -","- C49.5 H85 Au Cl7 F9 N8 O9 P4 S3 -","- C198 H340 Au4 Cl28 F36 N32 O36 P16 S12 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0646","0.0613","","","0.1647","0.1698","","","","","","1.039","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551180","7.7277","0.0002","11.2221","0.0003","35.0781","0.0008","90","","90","","90","","3042.01","0.13","179.99","0.11","179.99","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pseudopaline","","- C32 H30 N4 O8 S -","- C32 H30 N4 O8 S -","- C128 H120 N16 O32 S4 -","4","1","","Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.","De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa","Chemical Science","2019","","","","","10.1039/C9SC01405E","","","0.71073","MoKα","","0.0391","0.0344","","","0.0881","0.0907","","","","","","1.017","","","","has coordinates","215616","2020-10-21","18:00:00",""
"1551181","14.5442","0.0002","14.2345","0.0002","14.746","0.0002","90","","106.978","0.002","90","","2919.8","0.08","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H53 Cl6 N5 O18 S2 -","- C51 H53 Cl6 N5 O18 S2 -","- C102 H106 Cl12 N10 O36 S4 -","2","1","","Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.","De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa","Chemical Science","2019","","","","","10.1039/C9SC01405E","","x-ray","0.71073","MoKα","","0.0611","0.0552","","","0.1421","0.1458","","","","","","1.039","","","","has coordinates","215616","2020-10-21","18:00:00",""
"1551182","11.2379","0.0005","13.1495","0.0007","20.9319","0.0011","93.009","0.007","93.589","0.007","92.791","0.007","3078.6","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 O2 Si2 -","- C38 H34 O2 Si2 -","- C152 H136 O8 Si8 -","4","2","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","0.71075","MoKα","","0.0983","0.0716","","","0.2386","0.2496","","","","","","1.628","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551183","16.808","0.0003","12.2273","0.0002","15.6775","0.0003","90","","100.516","0.0007","90","","3167.87","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 O4 Si2 -","- C38 H34 O4 Si2 -","- C152 H136 O16 Si8 -","4","1","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","1.54187","CuKα","","0.0822","0.0642","","","0.1727","0.2128","","","","","","1.178","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551184","10.8703","0.0006","19.3209","0.0008","19.3242","0.001","90","","99.584","0.007","90","","4001.9","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 O2 Si2 -","- C50 H42 O2 Si2 -","- C200 H168 O8 Si8 -","4","1","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","0.71075","MoKα","","0.1134","0.0621","","","0.1465","0.1699","","","","","","0.97","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551185","12.7536","0.0003","17.2029","0.0004","20.3205","0.0004","80.9256","0.0012","82.2909","0.0011","71.3225","0.0011","4153.94","0.16","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C104 H100 O4 Si4 -","- C104 H100 O4 Si4 -","- C208 H200 O8 Si8 -","2","1","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","1.54187","CuKα","","0.3178","0.1521","","","0.3204","0.4577","","","","","","1.006","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551187","13.87","0.004","14.04","0.004","33.318","0.01","100.25","0.005","91.957","0.005","119.364","0.005","5508","3","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","tetraphenyl phosphonium titanium tris(dithiocatecholate)","","- C66 H52 P2 S6 Ti -","- C66 H52 P2 S6 Ti -","- C264 H208 P8 S24 Ti4 -","4","2","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.1401","0.1259","","","0.3289","0.337","","","","","","1.176","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551188","25.121","0.003","13.7709","0.0016","17.8697","0.0019","90","","113.957","0.006","90","","5649.3","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetraphenyl phosphonium titanium tis(diselenocatecholate)","","- C66 H52 P2 Se6 V -","- C66 H52 P2 Se6 V -","- C264 H208 P8 Se24 V4 -","4","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.0566","0.0375","","","0.083","0.09","","","","","","1.035","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551189","11.166","0.0014","14.8566","0.0019","14.9901","0.0019","90","","94.939","0.002","90","","2477.5","0.5","100","","99.91","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenyl phosphonium nickel bis(diselenocatecholate)","","- C60 H48 Ni P2 Se4 -","- C60 H48 Ni P2 Se4 -","- C120 H96 Ni2 P4 Se8 -","2","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","x-ray","0.71073","MoKα","","0.0345","0.0244","","","0.0556","0.0603","","","","","","1.062","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551190","25.191","0.003","13.8608","0.0013","17.8294","0.0018","90","","114.114","0.01","90","","5682.2","1.1","100","","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetraphenyl phosphonium titanium(IV) tris(diselenocatecholate)","","- C66 H52 P2 Se6 Ti -","- C66 H52 P2 Se6 Ti -","- C264 H208 P8 Se24 Ti4 -","4","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","x-ray","0.71073","MoKα","","0.032","0.0248","","","0.0578","0.0604","","","","","","1.076","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551191","11.1972","0.0009","15.0275","0.0012","15.2359","0.0012","90","","94.517","0.002","90","","2555.7","0.4","250.04","","250.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenyl phosphonium copper bis(diselenocatecholate)","","- C60 H48 Cu P2 Se4 -","- C60 H48 Cu P2 Se4 -","- C120 H96 Cu2 P4 Se8 -","2","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.0398","0.0297","","","0.0721","0.0779","","","","","","1.029","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551192","11.1212","0.0006","14.6404","0.0008","14.8691","0.0008","90","","95.168","0.003","90","","2411.1","0.2","100","","99.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenyl phosphonium nickel bis(dithiocatecholate)","","- C60 H48 Ni P2 S4 -","- C60 H48 Ni P2 S4 -","- C120 H96 Ni2 P4 S8 -","2","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","x-ray","0.71073","MoKα","","0.0562","0.0346","","","0.0687","0.0764","","","","","","1.034","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551193","13.7448","0.0006","14.0207","0.0006","33.4597","0.0015","77.929","0.002","88.111","0.002","60.715","0.002","5481.4","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetraphenyl phosphonium vanadium tris-dithiocatechol","","- C66 H52 P2 S6 V -","- C66 H52 P2 S6 V -","- C264 H208 P8 S24 V4 -","4","2","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.0813","0.0497","","","0.0979","0.1082","","","","","","1.012","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551204","12.391","0.014","23.18","0.02","29.92","0.03","90","","90.96","0.03","90","","8593","15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H142 N7 Na O7 Si12 Th2 -","- C52 H142 N7 Na O7 Si12 Th2 -","- C208 H568 N28 Na4 O28 Si48 Th8 -","4","1","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.232","0.119","","","0.1927","0.2259","","","","","","1.085","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1551205","11.893","0.003","14.617","0.004","14.62","0.004","74.546","0.015","71.051","0.015","71.238","0.014","2238.5","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H148 K N7 O8 Si12 Th2 -","- C56 H148 K N7 O8 Si12 Th2 -","- C56 H148 K N7 O8 Si12 Th2 -","1","0.5","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.1177","0.0804","","","0.1803","0.195","","","","","","1.142","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551206","18.497","0.006","18.497","0.006","16.973","0.004","90","","90","","120","","5029","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H56 N4 Si6 Th -","- C18 H9 N4.0002 Si6 Th -","- C108 H54 N24.0012 Si36 Th6 -","6","0.166667","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.101","0.0714","","","0.1843","0.1935","","","","","","1.406","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551249","6.9739","0.0006","16.0078","0.0017","7.5851","0.0008","90","","98.787","0.009","90","","836.84","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F2 N O S -","- C8 H5 F2 N O S -","- C32 H20 F8 N4 O4 S4 -","4","1","","Deng, Shuilin; Chen, Haohua; Ma, Xingxing; Zhou, Yao; Yang, Kai; Lan, Yu; Song, Qiuling","S8-Catalyzed Triple Cleavage of Bromodifluoro Compounds for the Assembly of N-containing Heterocycles","Chemical Science","2019","","","","","10.1039/C9SC01333D","","x-ray","0.71073","MoKα","","0.1044","0.0894","","","0.2058","0.2188","","","","","","1.396","","","","has coordinates","215719","2020-10-21","18:00:00",""
"1551250","6.3315","0.0008","6.8983","0.0009","16.78","0.002","97.492","0.01","98.979","0.01","100.301","0.011","702.73","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Deng, Shuilin; Chen, Haohua; Ma, Xingxing; Zhou, Yao; Yang, Kai; Lan, Yu; Song, Qiuling","S8-Catalyzed Triple Cleavage of Bromodifluoro Compounds for the Assembly of N-containing Heterocycles","Chemical Science","2019","","","","","10.1039/C9SC01333D","","x-ray","0.71073","MoKα","","0.0709","0.0492","","","0.1319","0.1539","","","","","","0.9286","","","","has coordinates","215719","2020-10-21","18:00:00",""
"1551251","8.4561","0.0008","18.2584","0.0011","9.6555","0.0007","90","","99.111","0.007","90","","1472","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Deng, Shuilin; Chen, Haohua; Ma, Xingxing; Zhou, Yao; Yang, Kai; Lan, Yu; Song, Qiuling","S8-Catalyzed Triple Cleavage of Bromodifluoro Compounds for the Assembly of N-containing Heterocycles","Chemical Science","2019","","","","","10.1039/C9SC01333D","","x-ray","0.71073","MoKα","","0.0694","0.0471","","","0.1362","0.1584","","","","","","0.9981","","","","has coordinates","215719","2020-10-21","18:00:00",""
"1551252","23.483","0.002","8.4119","0.0003","15.9818","0.0015","90","","134.61","0.017","90","","2247.5","0.7","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-Bromo-8-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)difluoro-λ3-iodane","","- C10 H9 Br F3 I -","- C10 H9 Br F3 I -","- C80 H72 Br8 F24 I8 -","8","1","","Häfliger, Joel; Pitts, Cody Ross; Bornemann, Dustin; Käser, Roland; Santschi, Nico; Charpentier, Julie; Otth, Elisabeth; Trapp, Nils; Verel, René; Lüthi, Hans Peter; Togni, Antonio","Substituent-controlled, Mild Oxidative Fluorination of Iodoarenes: Synthesis and Structural Study of Aryl I(III)- and I(V)-Fluorides","Chemical Science","2019","","","","","10.1039/C9SC02162K","","x-ray","1.54184","CuKα","","0.0322","0.031","","","0.0841","0.0848","","","","","","1.109","","","","has coordinates,has disorder","215720","2020-10-21","18:00:00",""
"1551253","15.269","0.0011","10.8007","0.0009","13.777","0.0011","90","","116.726","0.0014","90","","2029.3","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,1-Trifluoro-3,3-dimethyl-1,3-dihydro-1λ5-benzo[d][1,2]iodaoxole","","- C9 H10 F3 I O -","- C9 H10 F3 I O -","- C72 H80 F24 I8 O8 -","8","2","","Häfliger, Joel; Pitts, Cody Ross; Bornemann, Dustin; Käser, Roland; Santschi, Nico; Charpentier, Julie; Otth, Elisabeth; Trapp, Nils; Verel, René; Lüthi, Hans Peter; Togni, Antonio","Substituent-controlled, Mild Oxidative Fluorination of Iodoarenes: Synthesis and Structural Study of Aryl I(III)- and I(V)-Fluorides","Chemical Science","2019","","","","","10.1039/C9SC02162K","","x-ray","0.71073","MoKα","","0.0676","0.0464","","","0.0842","0.0909","","","","","","0.989","","","","has coordinates","215720","2020-10-21","18:00:00",""
"1551254","8.9083","0.0001","6.0364","0.0001","14.1452","0.0002","90","","91.627","0.001","90","","760.338","0.019","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrafluoro(4-fluorophenyl)-λ5-iodane","","- C6 H4 F5 I -","- C6 H4 F5 I -","- C24 H16 F20 I4 -","4","1","","Häfliger, Joel; Pitts, Cody Ross; Bornemann, Dustin; Käser, Roland; Santschi, Nico; Charpentier, Julie; Otth, Elisabeth; Trapp, Nils; Verel, René; Lüthi, Hans Peter; Togni, Antonio","Substituent-controlled, Mild Oxidative Fluorination of Iodoarenes: Synthesis and Structural Study of Aryl I(III)- and I(V)-Fluorides","Chemical Science","2019","","","","","10.1039/C9SC02162K","","x-ray","1.54184","CuKα","","0.0278","0.0276","","","0.0784","0.0787","","","","","","1.141","","","","has coordinates","215720","2020-10-21","18:00:00",""
"1551279","7.8209","0.0006","6.9066","0.0008","8.6288","0.0006","90","","100.372","0.007","90","","458.48","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Br F O -","- C10 H8 Br F O -","- C20 H16 Br2 F2 O2 -","2","1","","Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Enantioselective photoredox dehalogenative protonation","Chemical Science","2019","","","","","10.1039/C9SC02000D","","","1.54184","CuKα","","0.041","0.0342","","","0.0855","0.0922","","","","","","1.064","","","","has coordinates","215764","2020-10-21","18:00:00",""
"1551280","5.04728","0.00018","19.5159","0.0006","20.2528","0.0008","90","","90","","90","","1994.95","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl2 O -","- C10 H10 Cl2 O -","- C80 H80 Cl16 O8 -","8","2","","Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Enantioselective photoredox dehalogenative protonation","Chemical Science","2019","","","","","10.1039/C9SC02000D","","x-ray","1.54184","CuKα","","0.0553","0.0464","","","0.1189","0.1265","","","","","","1.032","","","","has coordinates","215764","2020-10-21","18:00:00",""
"1551281","15.2031","0.0009","21.8563","0.0013","43.312","0.003","90","","90","","90","","14391.9","1.6","180","","180","","","","","","","","Uni. of Cambridge, Chem. Dept, lab 301","5","F d d d :2","-F 2uv 2vw","70","","[TiO(OiPr)(Cy2PO2)]4","","- C60 H116 O16 P4 Ti4 -","- C60 H116 O16 P4 Ti4 -","- C480 H928 O128 P32 Ti32 -","8","0.25","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0661","0.0566","","0.1872","0.1661","0.1872","","","","","","0.9833","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551282","15.0884","0.0005","15.0884","0.0005","15.0884","0.0005","90","","90","","90","","3435","0.2","180","","180","","","","","","","","lab 301, Chemistry, Cambridge","5","I -4 3 m","I -4 2 3","217","","[Ti4O4(O2PPh2)6]","","- C72 H60 O16 P6 Ti4 -","- C72 H60 O16 P6 Ti4 -","- C144 H120 O32 P12 Ti8 -","2","0.0416667","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0473","0.0414","","0.1193","0.1008","0.1193","","","","","","1.0237","","","","has coordinates","215765","2020-10-21","18:00:00",""
"1551283","15.069","0.009","15.069","0.009","15.069","0.009","90","","90","","90","","3422","4","180","","180","","","","","","","","Lab 301, Dept Chem, Uni Cambridge","5","I -4 3 m","I -4 2 3","217","","[Ti4O4(O2PPh2)6][O2}2","","- C72 H60 O16 P6 Ti4 -","- C72 H60 O16 P6 Ti4 -","- C144 H120 O32 P12 Ti8 -","2","0.0416667","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.2717","0.139","","0.2587","0.2153","0.2587","","","","","","0.9385","","","","has coordinates","215765","2020-10-21","18:00:00",""
"1551284","12.6744","0.0003","16.2433","0.0004","33.7928","0.0007","90","","97.3936","0.0012","90","","6899.2","0.3","180","","180","","","","","","","","Lab 301, Dept Chem, University of Cambridge","6","P 1 21/c 1","-P 2ybc","14","","[TiO(OiPr)4-x(py)x(O2PPh2)]4","","- C67.55 H75.45 N0.27 O15.73 P4 Ti4 -","- C67.546 H75.454 N0.273 O15.727 P4 Ti4 -","- C270.184 H301.816 N1.092 O62.908 P16 Ti16 -","4","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0693","0.0485","","0.1214","0.1111","0.1214","","","","","","0.954","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551285","13.6325","0.0002","13.7555","0.0002","14.7582","0.0002","92.5897","0.0007","100.7","0.0007","93.1673","0.0009","2710.88","0.07","180","","180","","","","","","","","Uni Cambridge, Chem dept, Lab 301","5","P -1","-P 1","2","","[Ti(OiPr)3(Cy2PO2)]2","","- C21 H43 O5 P Ti -","- C21 H43 O5 P Ti -","- C84 H172 O20 P4 Ti4 -","4","2","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","0.71073","MoKα","","0.0866","0.056","","0.1404","0.1226","0.1403","","","","","","0.9816","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551286","13.25","0.0003","16.5507","0.0003","33.5428","0.001","96.74","0.002","93.665","0.003","102.553","0.002","7100","0.3","100","","100","2","","","","","","","Uni. Cabridge, Chem Dept, Lab 301","5","P -1","-P 1","2","","[TiO(OtBu)(O2PPh2)]4","","- C136 H159 O32 P8 Ti8 -","- C136 H159 O32 P8 Ti8 -","- C272 H318 O64 P16 Ti16 -","2","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","0.6889","Synchrotron","","0.1718","0.11","","0.3843","0.3587","0.3843","","","","","","1.3078","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551287","25.1958","0.0004","17.3647","0.0003","22.5546","0.0003","90","","123.956","0.0008","90","","8185.2","0.2","100","2","100","2","","","","","","","Uni. Cabridge, Chem Dept, Lab 301","5","C 1 2/c 1","-C 2yc","15","","Ti4O4OiPr2(Cy2PO2)5","","- C36 H69 O8 P2.5 Ti2 -","- C36 H69 O8 P2.5 Ti2 -","- C288 H552 O64 P20 Ti16 -","8","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","0.6889","Synchrotron","","0.0839","0.0569","","0.1851","0.1738","0.1851","","","","","","0.8883","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551288","12.5978","0.0002","16.2766","0.0003","33.9865","0.0005","90","","97.2246","0.0008","90","","6913.6","0.2","180","","180","","","","","","","","Uni Cam, Chem dept, lab 301","5","P 1 21/c 1","-P 2ybc","14","","[TiO(OiPr)(Ph2PO2)]4","","- C67 H76 O16 P4 Ti4 -","- C67 H76 O16 P4 Ti4 -","- C268 H304 O64 P16 Ti16 -","4","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0603","0.0392","","0.1117","0.0931","0.1117","","","","","","0.9093","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551289","12.4678","0.0003","17.6542","0.0005","20.1669","0.0005","95.091","0.0017","101.46","0.0017","103.312","0.0017","4191.23","0.19","180","","180","","","","","","","","Uni. Cam, Chem dept, lab 301","5","P -1","-P 1","2","","Ti3(OiPr)7(Ph2PO2)5","","- C81 H99 O17 P5 Ti3 -","- C81 H99 O17 P5 Ti3 -","- C162 H198 O34 P10 Ti6 -","2","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.1313","0.0764","","0.1651","0.1379","0.1641","","","","","","0.96","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551301","14.6491","0.0006","14.714","0.0006","16.1495","0.0007","90","","109.618","0.002","90","","3278.9","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HCO-(Adm)3-NHiPr","","","- C37 H54 N4 O4 -","- C37 H54 N4 O4 -","- C148 H216 N16 O16 -","4","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.1106","0.0577","","","0.1226","0.1466","","","","","","1.02","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551302","14.6489","0.0004","14.7284","0.0004","16.1631","0.0004","90","","109.738","0.001","90","","3282.38","0.15","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HCO-(Adm)3-NHiPr","","","- C37 H54 N4 O4 -","- C37 H54 N4 O4 -","- C148 H216 N16 O16 -","4","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0499","0.0454","","","0.1159","0.1205","","","","","","1.043","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551303","7.7427","0.0003","10.1","0.0003","20.7549","0.0007","90.03","0.001","95.713","0.001","90.869","0.001","1614.81","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","HCO-(Adm)3-NHtBu","","","- C38 H56 N4 O4 -","- C38 H56 N4 O4 -","- C76 H112 N8 O8 -","2","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0543","0.0495","","","0.1279","0.1319","","","","","","1.071","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551304","14.6463","0.0006","14.7404","0.0006","16.1538","0.0007","90","","109.735","0.002","90","","3282.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HCO-(Adm)3-NHiPr","","","- C37 H54 N4 O4 -","- C37 H54 N4 O4 -","- C148 H216 N16 O16 -","4","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0655","0.0469","","","0.1017","0.1134","","","","","","1.057","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551305","9.8603","0.0003","43.035","0.0014","38.9591","0.0012","90","","90","","90","","16531.8","0.9","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","HCO-(Adm)3-NHtBu bis-DMSO solvate","","","- C42 H68 N4 O6 S2 -","- C42 H68 N4 O6 S2 -","- C672 H1088 N64 O96 S32 -","16","2","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0715","0.0625","","","0.1585","0.1645","","","","","","1.11","","","","has coordinates,has disorder","215795","2020-10-21","18:00:00",""
"1551306","5.8086","0.0001","10.7521","0.0002","22.7153","0.0005","90","","90","","90","","1418.68","0.05","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Wu, Wangbin; Cao, Weidi; Hu, Linfeng; Su, Zhishan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Baeyer-Villiger oxidation: classical and parallel kinetic resolution of 3-substituted cyclohexanones and desymmetrization of meso-disubstituted cycloketones","Chemical Science","2019","","","","","10.1039/C9SC01563A","","","1.54178","CuKα","","0.0277","0.027","","","0.0703","0.0709","","","","","","1.05","","","","has coordinates","215796","2020-10-21","18:00:00",""
"1551307","10.205","0.014","27.45","0.02","11.97","0.016","90","","103.46","0.05","90","","3261","7","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H77 F9 N4 O13 S3 Sc -","- C54 H77 F9 N4 O13 S3 Sc -","- C108 H154 F18 N8 O26 S6 Sc2 -","2","1","","Wu, Wangbin; Cao, Weidi; Hu, Linfeng; Su, Zhishan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Baeyer-Villiger oxidation: classical and parallel kinetic resolution of 3-substituted cyclohexanones and desymmetrization of meso-disubstituted cycloketones","Chemical Science","2019","","","","","10.1039/C9SC01563A","","","0.71073","MoKα","","0.1552","0.0971","","","0.2454","0.2957","","","","","","1.047","","","","has coordinates","215796","2020-10-21","18:00:00",""
"1551308","12.201","0.001","14.5638","0.0012","22.547","0.002","90","","90","","90","","4006.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan; Xie, Jing; Burgess, Samantha; Vogiatzis, Konstantinos; Ye, Jingyun; Vollmer, Matthew; Linehan, John C.; Appel, Aaron M.; hoffmann, christina; Wang, Xiaoping; Young, Jr., Victor; Lu, Connie","Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct","Chemical Science","2019","","","","","10.1039/C9SC02018G","","","0.6","neutron","","0.0902","0.062","","","0.1262","0.1479","","","","","","0.613","","","","has coordinates","215797","2020-10-21","18:00:00",""
"1551309","12.2127","0.0004","14.5402","0.0005","22.5601","0.0008","90","","90","","90","","4006.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan; Xie, Jing; Burgess, Samantha; Vogiatzis, Konstantinos; Ye, Jingyun; Vollmer, Matthew; Linehan, John C.; Appel, Aaron M.; hoffmann, christina; Wang, Xiaoping; Young, Jr., Victor; Lu, Connie","Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct","Chemical Science","2019","","","","","10.1039/C9SC02018G","","","0.71073","MoKα","","0.0202","0.0181","","","0.0392","0.0401","","","","","","1.092","","","","has coordinates","215797","2020-10-21","18:00:00",""
"1551310","17.718","0.0006","18.1791","0.0005","22.9828","0.0006","98.564","0.002","99.814","0.002","102.609","0.003","6983.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C252.78 H314.78 Cl14.33 N36 O46 Si2 -","- C252.808 H156.808 Cl14.424 N36 O46 Si2 -","- C252.808 H156.808 Cl14.424 N36 O46 Si2 -","1","0.5","","Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan","Interplay of secondary and tertiary folding in abiotic foldamers","Chemical Science","2019","","","","","10.1039/C9SC01322A","","","1.54184","CuKα","","0.1799","0.1523","","","0.3751","0.3988","","","","","","2.131","","","","has coordinates,has disorder","215798","2020-10-21","18:00:00",""
"1551311","16.1473","0.0003","36.4163","0.0007","26.28","0.0005","90","","106.983","0.002","90","","14779.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C262.51 H343.02 N40 O52 Si2 -","- C263.042 H94 N40 O60 Si2 -","- C526.084 H188 N80 O120 Si4 -","2","0.5","","Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan","Interplay of secondary and tertiary folding in abiotic foldamers","Chemical Science","2019","","","","","10.1039/C9SC01322A","","","1.54184","CuKα","","0.2658","0.2411","","","0.6025","0.6246","","","","","","2.712","","","","has coordinates,has disorder","215798","2020-10-21","18:00:00",""
"1551312","21.4823","0.0011","26.9299","0.0009","48.1304","0.0014","84.99","0.003","82.99","0.003","74.494","0.004","26586.6","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C234.5 H242.5 Cl1.5 N40 O46.5 -","- C207.5 Cl1.5 N40 O46.5 -","- C830 Cl6 N160 O186 -","4","2","","Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan","Interplay of secondary and tertiary folding in abiotic foldamers","Chemical Science","2019","","","","","10.1039/C9SC01322A","","","1.54184","CuKα","","0.3716","0.303","","","0.6461","0.6841","","","","","","2.589","","","","has coordinates,has disorder","274567","2022-04-19","14:22:35",""
"1551347","6.1003","0.0002","19.2105","0.0009","16.5303","0.0006","90","","90.586","0.003","90","","1937.08","0.13","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 S -","- C23 H22 N4 S -","- C92 H88 N16 S4 -","4","1","","Feng, Zhihui; Li, Dandan; Zhang, Mingzhu; Shao, Tao; shen, yu; Tian, Xiaohe; Zhang, Qiong; Li, Shengli; Wu, Jieying; Tian, Yupeng","Enhanced three-photon activity trigged by AIE behavior of a novel terpyridine-based Zn(II) complex bearing thiophene bridge","Chemical Science","2019","","","","","10.1039/C9SC01705D","","","1.54186","CuKα","","0.0553","0.047","","","0.1277","0.1392","","","","","","1.088","","","","has coordinates","215851","2020-10-21","18:00:00",""
"1551348","13.074","0.002","13.076","0.002","15.476","0.003","99.48","0.002","95.071","0.002","105.389","0.002","2491.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 N10 O6 S2 Zn -","- C46 H44 N10 O6 S2 Zn -","- C92 H88 N20 O12 S4 Zn2 -","2","1","","Feng, Zhihui; Li, Dandan; Zhang, Mingzhu; Shao, Tao; shen, yu; Tian, Xiaohe; Zhang, Qiong; Li, Shengli; Wu, Jieying; Tian, Yupeng","Enhanced three-photon activity trigged by AIE behavior of a novel terpyridine-based Zn(II) complex bearing thiophene bridge","Chemical Science","2019","","","","","10.1039/C9SC01705D","","","0.71073","MoKα","","0.0837","0.0694","","","0.2161","0.2337","","","","","","1.089","","","","has coordinates","215851","2020-10-21","18:00:00",""
"1551349","19.783","0.013","11.805","0.01","21.269","0.013","90","","113.95","0.02","90","","4539","6","122","2","122","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 B2 N4 -","- C48 H64 B2 N4 -","- C192 H256 B8 N16 -","4","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0859","0.0546","","","0.1326","0.1489","","","","","","1.035","","","","has coordinates","215852","2020-10-21","18:00:00",""
"1551350","10.919","0.0004","11.0985","0.0004","12.1024","0.0005","73.53","0.001","80.59","0.001","64.832","0.001","1271.37","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H68 B4 N4 O4 -","- C58 H68 B4 N4 O4 -","- C58 H68 B4 N4 O4 -","1","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0987","0.0558","","","0.1077","0.1269","","","","","","1.053","","","","has coordinates","215852","2020-10-21","18:00:00",""
"1551351","10.5163","0.0005","12.3887","0.0007","13.5117","0.0007","88.943","0.002","84.495","0.002","65.88","0.002","1598.83","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 B4 N4 O4 -","- C72 H84 B4 N4 O4 -","- C72 H84 B4 N4 O4 -","1","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0716","0.0521","","","0.1251","0.1358","","","","","","1.044","","","","has coordinates,has disorder","215852","2020-10-21","18:00:00",""
"1551352","10.4711","0.0006","12.1436","0.0007","14.1733","0.0008","87.13","0.001","83.446","0.001","65.946","0.001","1634.96","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 B4 N4 S4 -","- C72 H84 B4 N4 S4 -","- C72 H84 B4 N4 S4 -","1","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0489","0.0428","","","0.1081","0.1149","","","","","","0.683","","","","has coordinates,has disorder","215852","2020-10-21","18:00:00",""
"1551353","12.532","0.004","18.541","0.005","26.605","0.005","106.073","0.017","100.06","0.018","94.42","0.03","5797","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 B4 N4 S4 -","- C58 H67 B4 N4 S4 -","- C232 H268 B16 N16 S16 -","4","2","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0703","0.0497","","","0.1325","0.1437","","","","","","1.037","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1551378","7.32208","0.00015","18.4404","0.0004","23.9475","0.0004","90","","90","","90","","3233.44","0.11","100","0.1","100","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","x-ray","1.54184","CuKα","","0.0305","0.0299","","","0.0783","0.079","","","","","","1.027","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551379","7.306","0.003","18.404","0.008","23.763","0.009","90","","90","","90","","3195","2","170","","170","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H17 N3 S -","- C18 H17 N3 S -","- C144 H136 N24 S8 -","8","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","","0.71073","MoKα","","0.0807","0.0529","","","0.1034","0.1158","","","","","","1.041","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551380","13.5246","0.0001","15.58","0.0001","9.8171","0.0001","90","","100.207","0.001","90","","2035.86","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F N3 S -","- C24 H20 F N3 S -","- C96 H80 F4 N12 S4 -","4","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","x-ray","1.54184","CuKα","","0.049","0.0464","","","0.1267","0.1316","","","","","","1.067","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551381","7.6842","0.0019","15.222","0.004","15.865","0.002","90","","94.247","0.016","90","","1850.6","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C23 H25 N3 -","- C23 H25 N3 -","- C92 H100 N12 -","4","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","x-ray","1.54184","CuKα","","0.2253","0.0795","","","0.4114","0.1468","","","","","","1.027","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551382","8.9771","0.001","17.626","0.002","17.763","0.002","116.517","0.0019","93.784","0.002","102.495","0.002","2412.5","0.5","90","","90","","","","","","","","","3","P -1","-P 1","2","","CP3","","- C66 H60 O6 -","- C66 H60 O6 -","- C132 H120 O12 -","2","1","","Kurosaki, Ryo; Hayashi, Hironobu; Suzuki, Mitsuhara; Jiang, Julong; Hatanaka, Miho; Aratani, Naoki; Yamada, Hiroko","A remarkably strained cyclopyrenylene trimer that undergoes metal-free direct oxygen insertion into the biaryl C‒C σ-bond","Chemical Science","2019","","","","","10.1039/C9SC01777A","","","0.71073","MoKα","","0.1256","0.0738","","","0.1592","0.2024","","","","","","1.061","","","","has coordinates","215902","2020-10-21","18:00:00",""
"1551383","17.7176","0.0019","18.088","0.002","18.855","0.002","109.807","0.0019","114.343","0.0019","91.189","0.002","5088.1","1","90","","90","","","","","","","","","4","P -1","-P 1","2","","CP3O","","- C66.91 H60.78 Cl0.78 O7.51 -","- C66.905 H60.784 Cl0.784 O7.513 -","- C267.62 H243.136 Cl3.136 O30.052 -","4","2","","Kurosaki, Ryo; Hayashi, Hironobu; Suzuki, Mitsuhara; Jiang, Julong; Hatanaka, Miho; Aratani, Naoki; Yamada, Hiroko","A remarkably strained cyclopyrenylene trimer that undergoes metal-free direct oxygen insertion into the biaryl C‒C σ-bond","Chemical Science","2019","","","","","10.1039/C9SC01777A","","","0.71073","MoKα","","0.1777","0.0829","","","0.2091","0.2715","","","","","","1.025","","","","has coordinates,has disorder","215902","2020-10-21","18:00:00",""
"1551406","17.243","0.0013","7.806","0.005","17.503","0.003","90","","110.42","0.03","90","","2207.8","1.5","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Gross95 (Zhenya)","","","- C39 H4 Cl4 F17 I4 N4 P -","- C39 H4 Cl4 F17 I4 N4 P -","- C78 H8 Cl8 F34 I8 N8 P2 -","2","0.5","","Gross, Zeev; Zhao, Jianzhang; Mahammed, Atif; Chen, Kepeng; Vestfrid, Jenya","Phosphorus Corrole Complexes: From Property Tuning to Applications in Photocatalysis and Triplet-Triplet Annihilation Upconversion","Chemical Science","2019","","","","","10.1039/C9SC01463B","","","0.71073","MoKα","","0.1284","0.1059","","","0.2335","0.2458","","","","","","1.124","","","","has coordinates,has disorder","215938","2020-10-21","18:00:00",""
"1551407","21.925","0.002","13.102","0.0011","13.146","0.003","90","","97.96","0.05","90","","3740","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gross99 (Zhenya)","","","- C38 H15 Cl2 F8 I4 N4 P -","- C38 H15 Cl2 F8 I4 N4 P -","- C152 H60 Cl8 F32 I16 N16 P4 -","4","1","","Gross, Zeev; Zhao, Jianzhang; Mahammed, Atif; Chen, Kepeng; Vestfrid, Jenya","Phosphorus Corrole Complexes: From Property Tuning to Applications in Photocatalysis and Triplet-Triplet Annihilation Upconversion","Chemical Science","2019","","","","","10.1039/C9SC01463B","","","0.71073","MoKα","","0.0654","0.0569","","","0.14","0.1438","","","","","","1.143","","","","has coordinates,has disorder","215938","2020-10-21","18:00:00",""
"1551408","8.217","0.0002","7.7716","0.0002","13.2349","0.0003","90","","90.843","0.002","90","","845.08","0.04","172.99","0.1","172.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C44 H36 O4 -","2","1","","Teng, Qi; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Hydroalkynylative cyclization of 1,6-enynes with terminal alkynes","Chemical Science","2019","","","","","10.1039/C9SC02341K","","x-ray","1.54184","CuKα","","0.0456","0.0424","","","0.109","0.1187","","","","","","1.058","","","","has coordinates","215939","2020-10-21","18:00:00",""
"1551409","6.8959","0.0003","10.2141","0.0004","19.1396","0.0008","90","","90","","90","","1348.11","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Teng, Qi; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Hydroalkynylative cyclization of 1,6-enynes with terminal alkynes","Chemical Science","2019","","","","","10.1039/C9SC02341K","","x-ray","1.54184","CuKα","","0.064","0.0527","","","0.144","0.1821","","","","","","1.102","","","","has coordinates","215939","2020-10-21","18:00:00",""
"1551443","9.0646","0.0007","16.0413","0.0011","35.656","0.002","90","","90.122","0.007","90","","5184.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Fe0.5 N18 O6 S -","- C54 H33 Fe0.5 N18 O6 S -","- C216 H132 Fe2 N72 O24 S4 -","4","1","","Benaicha, Bouabdellah; Van Do, Khanh; Yangui, Aymen; Pittala, Narsimhulu; Lusson, Alain; Sy, Mouhamadou; Bouchez, Guillaume; Fourati, Houcem; Gómez-García, Carlos J.; Triki, Smail; Boukheddaden, Kamel","Interplay between spin-crossover and luminescence in a multifunctional single crystal iron(ii) complex: towards a new generation of molecular sensors","Chemical Science","2019","","","","","10.1039/C9SC02331C","","x-ray","0.71073","MoKα","","0.2196","0.1074","","","0.2252","0.2889","","","","","","1.105","","","","has coordinates","215989","2020-10-21","18:00:00",""
"1551444","8.9139","0.0004","15.9285","0.0009","35.1158","0.0018","90","","90.474","0.005","90","","4985.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Fe0.5 N18 O6 S -","- C54 H33 Fe0.5 N18 O6 S -","- C216 H132 Fe2 N72 O24 S4 -","4","1","","Benaicha, Bouabdellah; Van Do, Khanh; Yangui, Aymen; Pittala, Narsimhulu; Lusson, Alain; Sy, Mouhamadou; Bouchez, Guillaume; Fourati, Houcem; Gómez-García, Carlos J.; Triki, Smail; Boukheddaden, Kamel","Interplay between spin-crossover and luminescence in a multifunctional single crystal iron(ii) complex: towards a new generation of molecular sensors","Chemical Science","2019","","","","","10.1039/C9SC02331C","","x-ray","0.71073","MoKα","","0.1757","0.0948","","","0.1837","0.2549","","","","","","1.092","","","","has coordinates","215989","2020-10-21","18:00:00",""
"1551458","10.753","0.002","11.953","0.002","11.361","0.002","90","","107.9","0.03","90","","1389.6","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 F8 O6 P2 Si -","- C24 H30 F8 O6 P2 Si -","- C48 H60 F16 O12 P4 Si2 -","2","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1055","0.0634","","","0.1574","0.1769","","","","","","1.074","","","","has coordinates,has disorder","216033","2020-10-21","18:00:00",""
"1551459","11.428","0.002","12.75","0.003","15.069","0.003","71.12","0.03","71.13","0.03","69.23","0.03","1887.7","0.8","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H25 Br8 Cl2 F K O10 Si -","- C25 H25 Br8 Cl2 F K O10 Si -","- C50 H50 Br16 Cl4 F2 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0911","0.0421","","","0.0738","0.0855","","","","","","0.999","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551460","11.061","0.002","12.978","0.003","22.591","0.005","86.42","0.03","79.44","0.03","67.26","0.03","2940.1","1.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 Br8 Cl2 O5 P Si -","- C19 H17 Br8 Cl2 O5 P Si -","- C76 H68 Br32 Cl8 O20 P4 Si4 -","4","2","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1004","0.0437","","","0.0669","0.078","","","","","","0.957","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551461","11.414","0.002","11.84","0.002","11.872","0.002","99.78","0.03","96.63","0.03","112.37","0.03","1433.3","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F9 K O10 Si -","- C24 H24 F9 K O10 Si -","- C48 H48 F18 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1533","0.054","","","0.1026","0.134","","","","","","0.964","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551462","9.303","0.0019","10.781","0.002","15.544","0.003","77.14","0.03","77.77","0.03","69.26","0.03","1406.2","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F9 K O10 Si -","- C24 H24 F9 K O10 Si -","- C48 H48 F18 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.068","0.0385","","","0.0868","0.0994","","","","","","1.024","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551463","7.85","0.0016","8.484","0.0017","10.295","0.002","83.8","0.03","73.07","0.03","83.17","0.03","649.3","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 O6 P2 Si -","- C24 H38 O6 P2 Si -","- C24 H38 O6 P2 Si -","1","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0814","0.0453","","","0.1079","0.1239","","","","","","1.078","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551464","8.639","0.0017","9.598","0.0019","17.384","0.004","90","","93","0.03","90","","1439.5","0.5","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br8 O6 Si -","- C20 H20 Br8 O6 Si -","- C40 H40 Br16 O12 Si2 -","2","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0814","0.0404","","","0.0618","0.0709","","","","","","0.993","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551465","10.425","0.0015","10.425","0.0015","37.648","0.008","90","","90","","90","","4091.6","1.2","120","","120","","","","","","","","","7","P 43","P 4cw","78","","","","- C48 H38 Cl N O4 P2 Si -","- C48 H38 Cl N O4 P2 Si -","- C192 H152 Cl4 N4 O16 P8 Si4 -","4","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1843","0.0593","","","0.0957","0.1262","","","","","","0.989","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551466","21.898","0.004","12.467","0.003","14.654","0.003","90","","91.49","0.03","90","","3999.2","1.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F8 O5 P Si -","- C18 H15 F8 O5 P Si -","- C144 H120 F64 O40 P8 Si8 -","8","2","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1171","0.0466","","","0.0944","0.1162","","","","","","0.981","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551467","7.927","0.0016","9.241","0.0018","12.596","0.003","69.63","0.03","81.67","0.03","79.5","0.03","847.2","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Br8 O6 P2 Si -","- C24 H30 Br8 O6 P2 Si -","- C24 H30 Br8 O6 P2 Si -","1","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0481","0.0305","","","0.0577","0.0634","","","","","","1.014","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551468","10.012","0.002","15.717","0.003","12.437","0.003","90","","109.77","0.03","90","","1841.7","0.8","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 O5 P Si -","- C18 H23 O5 P Si -","- C72 H92 O20 P4 Si4 -","4","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1292","0.0536","","","0.1152","0.1439","","","","","","0.996","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551469","9.68","0.0019","10.278","0.002","15.852","0.003","91.94","0.03","92.84","0.03","92.24","0.03","1573","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Br4 F5 K O10 Si -","- C24 H24 Br4 F5 K O10 Si -","- C48 H48 Br8 F10 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1758","0.0664","","","0.1191","0.1486","","","","","","1.008","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551470","10.1189","0.0003","16.2647","0.0005","19.3022","0.0006","67.268","0.003","82.291","0.003","82.584","0.003","2893.14","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H47 Cl3 N8 Zn -","- C71 H47 Cl3 N8 Zn -","- C142 H94 Cl6 N16 Zn2 -","2","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.1104","0.098","","","0.2969","0.3133","","","","","","1.352","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551471","11.1672","0.0004","27.7657","0.0007","9.6241","0.0003","90","","114.758","0.004","90","","2709.81","0.17","296.4","0.5","296.4","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 O2 Zn -","- C34 H24 N6 O2 Zn -","- C136 H96 N24 O8 Zn4 -","4","0.5","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.0706","0.0623","","","0.1746","0.1856","","","","","","1.04","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551472","13.4252","0.0011","14.2425","0.0013","14.4941","0.0009","102.982","0.007","94.647","0.006","95.015","0.007","2675.7","0.4","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H40 F4 N4 O3 Zn -","- C64 H40 F4 N4 O3 Zn -","- C128 H80 F8 N8 O6 Zn2 -","2","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","0.71073","MoKα","","0.2308","0.0874","","","0.1567","0.2051","","","","","","0.862","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551473","20.2843","0.0002","17.94042","0.00016","17.71991","0.0002","90","","104.646","0.0012","90","","6238.91","0.11","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H53 Cl2 F10 N6 O3 Sb Zn -","- C70 H53 Cl2 F10 N6 O3 Sb Zn -","- C280 H212 Cl8 F40 N24 O12 Sb4 Zn4 -","4","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.0694","0.057","","","0.152","0.1619","","","","","","1.026","","","","has coordinates,has disorder","216034","2020-10-21","18:00:00",""
"1551474","13.4669","0.0011","28.4544","0.002","17.1786","0.0014","90","","109.813","0.009","90","","6193","0.9","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H37 Cl4 N5 O2 Zn -","- C65 H37 Cl4 N5 O2 Zn -","- C260 H148 Cl16 N20 O8 Zn4 -","4","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","0.71073","MoKα","","0.0712","0.0487","","","0.1224","0.1345","","","","","","1.052","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551475","9.804","0.0006","10.8952","0.0007","13.1775","0.0009","73.385","0.006","77.153","0.005","81.794","0.005","1310.31","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H48 F4 N4 O4 Zn -","- C68 H48 F4 N4 O4 Zn -","- C68 H48 F4 N4 O4 Zn -","1","0.5","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","0.71073","MoKα","","0.1428","0.0806","","","0.1882","0.2328","","","","","","1.035","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551476","13.4002","0.0004","13.4625","0.0004","17.1704","0.0005","103.438","0.002","101.949","0.002","98.725","0.002","2881.75","0.15","293.75","0.1","293.75","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 N4 O3 Zn -","- C64 H44 N4 O3 Zn -","- C128 H88 N8 O6 Zn2 -","2","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.105","0.0824","","","0.2351","0.2705","","","","","","1.016","","","","has coordinates,has disorder","216034","2020-10-21","18:00:00",""
"1551492","8.96089","0.00013","35.7856","0.0006","14.92847","0.00019","90","","90","","90","","4787.12","0.12","179.95","0.1","179.95","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H22 F3 N O3 -","- C32 H22 F3 N O3 -","- C256 H176 F24 N8 O24 -","8","1","","Labrador, Geraldine M.; Besnard, Céline; Bürgi, Thomas; Poblador-Bahamonde, Amalia I.; Bosson, Johann; Lacour, Jérôme","Stereochemical significance of O to N atom interchanges within cationic helicenes: experimental and computational evidence of near racemization to remarkable enantiospecificity","Chemical Science","2019","","","","","10.1039/C9SC02127B","","x-ray","1.54184","CuKα","","0.0415","0.0369","","","0.0899","0.0938","","","","","","1.048","","","","has coordinates","216085","2020-10-21","18:00:00",""
"1551493","7.9096","0.0004","13.4176","0.0008","16.0932","0.001","86.244","0.005","78.883","0.005","89.014","0.005","1672.27","0.17","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 B Cl F4 N2 O2 -","- C40 H34 B Cl F4 N2 O2 -","- C80 H68 B2 Cl2 F8 N4 O4 -","2","1","","Labrador, Geraldine M.; Besnard, Céline; Bürgi, Thomas; Poblador-Bahamonde, Amalia I.; Bosson, Johann; Lacour, Jérôme","Stereochemical significance of O to N atom interchanges within cationic helicenes: experimental and computational evidence of near racemization to remarkable enantiospecificity","Chemical Science","2019","","","","","10.1039/C9SC02127B","","x-ray","1.54184","CuKα","","0.1321","0.0721","","","0.1638","0.2344","","","","","","1.097","","","","has coordinates","216085","2020-10-21","18:00:00",""
"1551494","16.5065","0.001","7.0663","0.0004","21.0475","0.0015","90","","90","","90","","2455","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","1","","Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier","Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles","Chemical Science","2019","","","","","10.1039/C9SC01954E","","","0.71073","MoKα","","0.0806","0.0552","","","0.1187","0.1315","","","","","","1.094","","","","has coordinates","216086","2020-10-21","18:00:00",""
"1551495","7.0113","0.0007","10.6464","0.0012","16.842","0.002","90","","90","","90","","1257.2","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N -","- C15 H12 Br N -","- C60 H48 Br4 N4 -","4","1","","Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier","Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles","Chemical Science","2019","","","","","10.1039/C9SC01954E","","","0.71073","MoKα","","0.0565","0.0334","","","0.0617","0.0683","","","","","","1.053","","","","has coordinates","216086","2020-10-21","18:00:00",""
"1551496","11.5292","0.0008","12.5645","0.0009","14.1583","0.001","78.035","0.001","85.101","0.002","85.372","0.001","1994.9","0.2","20","2","20","2","","","","","","","","8","P -1","-P 1","2","Pcorrole","","","- C22.5 H14.5 Cl1.5 F1.5 N2 O1.5 P0.5 S0.5 -","- C22.5 H14.5 Cl1.5 F1.5 N2 O1.5 P0.5 S0.5 -","- C90 H58 Cl6 F6 N8 O6 P2 S2 -","4","2","","Gilhula, James Connor; Radosevich, Alexander","Tetragonal Phosphorus(V) Cations As Tunable and Robust Catalytic Lewis Acids","Chemical Science","2019","","","","","10.1039/C9SC02463H","","","0.41328","synchrotron","","0.0694","0.0571","","","0.1492","0.1603","","","","","","1.043","","","","has coordinates","216087","2020-10-21","18:00:00",""
"1551497","23.0082","0.0011","18.241","0.0009","18.4271","0.0009","90","","127.241","0.002","90","","6156.8","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H11 B F41 N4 P -","- C69 H11 B F41 N4 P -","- C276 H44 B4 F164 N16 P4 -","4","1","","Gilhula, James Connor; Radosevich, Alexander","Tetragonal Phosphorus(V) Cations As Tunable and Robust Catalytic Lewis Acids","Chemical Science","2019","","","","","10.1039/C9SC02463H","","","0.71073","MoKα","","0.0499","0.0384","","","0.0901","0.0978","","","","","","1.026","","","","has coordinates","216087","2020-10-21","18:00:00",""
"1551514","12.8064","0.0002","15.7601","0.0003","17.3674","0.0002","70.329","0.001","75.142","0.001","70.305","0.001","3066.93","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C129.4 H116.8 Cl10.8 N8 O10 P4 Rh2 -","- C129.4 H116.8 Cl10.8 N8 O10 P4 Rh2 -","- C129.4 H116.8 Cl10.8 N8 O10 P4 Rh2 -","1","0.5","","Bai, Shaotao; Sinha, Vivek; Kluwer, Sander; Linnebank, Pim; Dydio, Pawel; Lutz, Martin; Abiri, Zohar; de Bruin, Bas; Reek, Joost N. H.","Effector responsive hydroformylation catalysis","Chemical Science","2019","","","","","10.1039/C9SC02558H","","","0.71073","MoKα","","0.0717","0.0529","","","0.1329","0.1457","","","","","","1.025","","","","has coordinates,has disorder","216121","2020-10-21","18:00:00",""
"1551515","12.7098","0.0003","15.9386","0.0004","17.4664","0.0006","70.142","0.001","74.739","0.001","69.74","0.001","3079.2","0.15","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C126 H112 B2 Cl12 F8 N8 O6 P4 Rh2 -","- C126 H112 B2 Cl12 F8 N8 O6 P4 Rh2 -","- C126 H112 B2 Cl12 F8 N8 O6 P4 Rh2 -","1","0.5","","Bai, Shaotao; Sinha, Vivek; Kluwer, Sander; Linnebank, Pim; Dydio, Pawel; Lutz, Martin; Abiri, Zohar; de Bruin, Bas; Reek, Joost N. H.","Effector responsive hydroformylation catalysis","Chemical Science","2019","","","","","10.1039/C9SC02558H","","","0.71073","MoKα","","0.044","0.0373","","","0.1026","0.1073","","","","","","1.04","","","","has coordinates,has disorder","216121","2020-10-21","18:00:00",""
"1551853","7.922","0.0002","18.8611","0.0004","19.2017","0.0005","90","","90","","90","","2869.07","0.12","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","2","","Sun, Fengna; Yang, Wan-Chun; Chen, Xiao-Bing; Sun, Yuli; Cao, Jian; Xu, Zheng; Xu, Li-Wen","Enantioselective Palladium/Copper-Catalyzed C-C Bond Activation Synergized with Sonogashira-Type C(sp3)-C(sp) Cross-Coupling Alkynylation","Chemical Science","2019","","","","","10.1039/C9SC02431J","","","1.54178","CuKα","","0.0325","0.0317","","","0.0867","0.0876","","","","","","1.049","","","","has coordinates","216486","2020-10-21","18:00:00",""
"1551872","11.5634","0.0002","15.7484","0.0002","10.0607","0.0002","90","","96.193","0.001","90","","1821.41","0.05","275","6","275","6","","","","","","","hexane","4","P 1 21/c 1","-P 2ybc","14","","o-Cz","","- C25 H17 N O -","- C25 H17 N O -","- C100 H68 N4 O4 -","4","1","","Mao, Zhu; Zhang, Yi; Yang, Zhan; Xu, Chao; Xie, Zongliang; Jiang, Long; Gu, Feng Long; Zhao, Juan; Aldred, Matthew Phillip; Chi, Zhenguo","Two-Photon-Excited Ultralong Organic Room Temperature Phosphorescence by Operating Dual-Channel Triplet Harvesting","Chemical Science","2019","","","","","10.1039/C9SC02282A","","x-ray","1.54184","CuKα","","0.0417","0.039","","","0.1168","0.1203","","","","","","1.057","","","","has coordinates","216503","2020-10-21","18:00:00",""
"1551892","25.0146","0.0009","39.6995","0.0013","12.18","0.0004","90","","90","","90","","12095.6","0.7","170","2","170","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H80 Fe4 N3 S4 Te4 -","- C48 H80 Fe4 N3 S4 Te4 -","- C384 H640 Fe32 N24 S32 Te32 -","8","0.5","","Wittkamp, Florian; Mishra, Nakul; Wang, Hongxin; Wille, Hans-Christian; Steinbrügge, René; Kaupp, Martin; Cramer, Stephen P.; Apfel, Ulf-Peter; Pelmenschikov, Vladimir","Insights from 125Te and 57Fe Nuclear Resonance Vibrational Spectroscopy: a [4Fe-4Te] Cluster from Two Points of View","Chemical Science","2019","","","","","10.1039/C9SC02025J","","","0.71073","MoKα","","0.0313","0.0259","","","0.0522","0.0548","","","","","","1.089","","","","has coordinates","278190","2022-09-26","15:36:30",""
"1551893","14.025","0.007","11.576","0.007","18.285","0.009","90","","95.45","0.02","90","","2955","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N2,N2,N5,N5,N8,N8,N11,N11-(4-methoxyphenyl)perylene-2,5,8,11-tetraamine","","- C76 H64 N4 O8 -","- C76 H64 N4 O8 -","- C152 H128 N8 O16 -","2","0.5","","Merz, Julia; Steffen, Andreas; Nitsch, Jörn; Fink, Julian; Schürger, Claudia B.; Friedrich, Alexandra; Krummenacher, Ivo; Braunschweig, Holger; Moos, Michael; Mims, David; Lambert, Christoph; Marder, Todd B.","Synthesis, Photophysical and Electronic Properties of Tetra- Donor- or Acceptor-Substituted ortho-Perylenes Displaying Four Reversible Oxidations or Reductions","Chemical Science","2019","","","","","10.1039/C9SC02420D","","","0.71073","MoKα","","0.0847","0.047","","","0.1035","0.1182","","","","","","1.016","","","","has coordinates","216540","2020-10-21","18:00:00",""
"1551915","28.3329","0.0004","9.8848","0.0002","30.0449","0.0004","90","","118.103","0.001","90","","7422.5","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 Br O5 S Si2 -","- C33 H57 Br O5 S Si2 -","- C264 H456 Br8 O40 S8 Si16 -","8","2","","Freund, Robert R. A.; Gobrecht, Philipp; Rao, Zhigang; Gerstmeier, Jana; Schlosser, Robin; Görls, Helmar; Werz, Oliver; Fischer, Dietmar; Arndt, Hans-Dieter","Stereoselective total synthesis of parthenolides indicates target selectivity for tubulin carboxypeptidase activity","Chemical Science","2019","","","","","10.1039/C9SC01473J","","","0.71073","MoKα","","0.0685","0.0467","","","0.1043","0.1152","","","","","","1.042","","","","has coordinates","216586","2020-10-21","18:00:00",""
"1551916","18.8596","0.0008","13.4589","0.0006","23.9721","0.0011","90","","99.096","0.0013","90","","6008.3","0.5","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C132 H118 Ag2 Cl8 F12 N4 O2 Sb2 -","- C132 H118 Ag2 Cl8 F12 N4 O2 Sb2 -","- C264 H236 Ag4 Cl16 F24 N8 O4 Sb4 -","2","0.5","","Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko","Molecular recognition of planar and non-planar aromatic hydrocarbons through multipoint Ag‒π bonding in a dinuclear metallo-macrocycle","Chemical Science","2019","","","","","10.1039/C9SC02619C","","","0.71075","MoKα","","0.0951","0.0773","","","0.2113","0.2257","","","","","","1.025","","","","has coordinates,has disorder","216601","2020-10-21","18:00:00",""
"1551941","12.2648","0.0005","14.7116","0.0006","16.75","0.0008","90","","90","","90","","3022.3","0.2","260","2","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0542","0.032","","","0.0648","0.0719","","","","","","1.079","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551942","8.6055","0.0009","15.7668","0.0009","12.7192","0.0012","89.779","0.008","126.671","0.007","92.338","0.006","1382.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","1","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","1.54178","CuKα","","0.1136","0.098","","","0.2459","0.2651","","","","","","1.058","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551943","8.5839","0.0003","16.1495","0.0004","12.6794","0.0004","90","","126.348","0.002","90","","1415.7","0.08","185","","185","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","1.54178","CuKα","","0.0648","0.056","","","0.1498","0.1666","","","","","","1.107","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551944","8.6431","0.0002","15.4288","0.0004","12.7452","0.0003","90","","126.962","0.002","90","","1358.04","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","1.54178","CuKα","","0.0498","0.0433","","","0.1074","0.118","","","","","","1.057","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551945","12.3342","0.0006","14.4997","0.0007","15.8603","0.0008","90","","90","","90","","2836.5","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0537","0.0368","","","0.0692","0.0742","","","","","","1.146","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551946","12.3352","0.0006","14.622","0.0007","16.1726","0.0008","90","","90","","90","","2917","0.2","212","","212","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0762","0.0387","","","0.0695","0.0781","","","","","","1.113","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551947","8.296","0.005","16.684","0.009","12.654","0.007","90","","122.644","0.018","90","","1474.8","1.5","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Ag Fe0.5 N4 -","- C14 H10 Ag Fe0.5 N4 -","- C56 H40 Ag4 Fe2 N16 -","4","1","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1591","0.0908","","","0.2161","0.2666","","","","","","1.04","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551948","8.1397","0.0009","16.1472","0.0018","12.4881","0.0013","90","","123.039","0.004","90","","1375.9","0.3","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1203","0.0808","","","0.191","0.2156","","","","","","1.053","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551949","12.367","0.003","14.371","0.004","16.929","0.004","90","","90","","90","","3008.7","1.3","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1207","0.0882","","","0.2086","0.2334","","","","","","1.096","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551950","8.1858","0.0008","16.4312","0.0016","12.5534","0.0012","90","","122.72","0.003","90","","1420.5","0.2","185","","185","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1322","0.0841","","","0.2095","0.2435","","","","","","1.05","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551951","12.2405","0.0007","13.9694","0.0009","16.0892","0.0009","90","","90","","90","","2751.1","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0591","0.0482","","","0.1002","0.1054","","","","","","1.099","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551952","12.2235","0.0006","14.0648","0.0007","16.3631","0.0007","90","","90","","90","","2813.2","0.2","178","","178","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0698","0.0515","","","0.1179","0.1281","","","","","","1.075","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551953","18.3378","0.001","20.9587","0.001","22.0613","0.0012","90","","91.6688","0.0018","90","","8475.4","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.75 H87.5 B4 Cl7.5 O20 -","- C75.75 H87.5 B4 Cl7.5 O20 -","- C303 H350 B16 Cl30 O80 -","4","1","","Ono, Kosuke; Niibe, Morikazu; Iwasawa, Nobuharu","A K±promoted Diels‒Alder reaction by using a self-assembled macrocyclic boronic ester containing two crown ether moieties","Chemical Science","2019","","","","","10.1039/C9SC01597C","","","1.54186","CuKα","","0.2748","0.1203","","","0.317","0.413","","","","","","0.893","","","","has coordinates,has disorder","216716","2020-10-21","18:00:00",""
"1551954","10.3101","0.0003","18.3821","0.0005","16.3489","0.0004","90","","93.091","0.002","90","","3093.96","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 B O4 -","- C36 H39 B O4 -","- C144 H156 B4 O16 -","4","2","","Ando, Naoki; Soutome, Hiroki; Yamaguchi, Shigehiro","Near-Infrared Fluorescein Dyes Containing a Tricoordinate Boron Atom","Chemical Science","2019","","","","","10.1039/C9SC02314C","","","0.78255","Synchrotron","","0.0588","0.0425","","","0.0921","0.111","","","","","","1.134","","","","has coordinates","216717","2020-10-21","18:00:00",""
"1551955","13.313","0.002","11.317","0.002","22.471","0.004","90","","90","","90","","3385.6","1","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35.4 H34.6 B O4 -","- C35.4 H34.6 B O4 -","- C141.6 H138.4 B4 O16 -","4","1","","Ando, Naoki; Soutome, Hiroki; Yamaguchi, Shigehiro","Near-Infrared Fluorescein Dyes Containing a Tricoordinate Boron Atom","Chemical Science","2019","","","","","10.1039/C9SC02314C","","","0.71075","MoKa","","0.0801","0.0616","","","0.1602","0.1706","","","","","","1.026","","","","has coordinates","216717","2020-10-21","18:00:00",""
"1551956","10.452","0.002","5.5211","0.0011","37.598","0.008","90","","96.31","0.03","90","","2156.5","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C108 H96 N8 O8 -","4","1","","Zhao, Dongbing; Zhang, Yun; Chen, Gong","Three-Component Vicinal-Diarylation of Alkenes via Directed Transmetalation of Arylboronic Acids","Chemical Science","2019","","","","","10.1039/C9SC02182E","","","0.71073","MoKα","","0.0736","0.0612","","","0.1501","0.1627","","","","","","1.076","","","","has coordinates","216718","2020-10-21","18:00:00",""
"1551957","20.542","0.004","74.483","0.015","5.9207","0.0012","90","","90","","90","","9059","3","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C480 H464 N16 O32 -","16","1","","Zhao, Dongbing; Zhang, Yun; Chen, Gong","Three-Component Vicinal-Diarylation of Alkenes via Directed Transmetalation of Arylboronic Acids","Chemical Science","2019","","","","","10.1039/C9SC02182E","","","0.71073","MoKα","","0.058","0.0487","","","0.1187","0.1307","","","","","","1.047","","","","has coordinates","216718","2020-10-21","18:00:00",""
"1551958","8.0582","0.0002","13.8661","0.0002","24.9576","0.0005","90","","90","","90","","2788.66","0.1","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2CzSPz","2CzDPS","","- C36 H24 N2 O2 S2 -","- C36 H24 N2 O2 S2 -","- C144 H96 N8 O8 S8 -","4","1","","Yang, Zhan; Mao, Zhu; Xu, Chao; Chen, Xiaojie; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Wu, William; Jiao, Shibo; Liu, Yang; Aldred, Matthew Phillip; Chi, Zhenguo","A Sterically Hindered Asymmetric D-A-D' Thermally Activated Delayed Fluorescence Emitter for Highly-Efficient Non-doped Organic Light-Emitting Diodes","Chemical Science","2019","","","","","10.1039/C9SC01686D","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.1049","0.1073","","","","","","1.076","","","","has coordinates","216719","2020-10-21","18:00:00",""
"1551983","10.1576","0.0005","8.6724","0.0005","15.2277","0.0008","90","","97.993","0.003","90","","1328.39","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 -","- C15 H17 Cl N2 -","- C60 H68 Cl4 N8 -","4","1","","Touchette, Samuel J.; Dunkley, Evan M.; Lowder, Leah L.; Wu, Jimmy","Nucleophile-intercepted Beckmann Fragmentation Reactions","Chemical Science","2019","","","","","10.1039/C9SC00926D","","","1.54178","CuKα","","0.0362","0.034","","","0.091","0.0926","","","","","","1.068","","","","has coordinates","216756","2020-10-21","18:00:00",""
"1551984","7.5795","0.0006","8.9959","0.0007","10.1131","0.0008","94.1119","0.0009","97.9337","0.0009","104.181","0.0008","658.13","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Cl N2 -","- C15 H17 Cl N2 -","- C30 H34 Cl2 N4 -","2","1","","Touchette, Samuel J.; Dunkley, Evan M.; Lowder, Leah L.; Wu, Jimmy","Nucleophile-intercepted Beckmann Fragmentation Reactions","Chemical Science","2019","","","","","10.1039/C9SC00926D","","","0.71073","MoKα","","0.0524","0.0422","","","0.1031","0.112","","","","","","1.041","","","","has coordinates","216756","2020-10-21","18:00:00",""
"1551986","8.3302","0.0003","24.2725","0.0008","11.2388","0.0005","90","","108.153","0.004","90","","2159.32","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl N3 O -","- C27 H20 Cl N3 O -","- C108 H80 Cl4 N12 O4 -","4","1","","Guru, Murali Mohan; De, Sriman; Dutta, Sayan; Koley, Debasis; Maji, Biplab","B(C6F5)3-Catalyzed Dehydrogenative Cyclization of N-Tosylhydrazones and Anilines via a Lewis Adduct: A Combined Experimental and Computational Investigations","Chemical Science","2019","","","","","10.1039/C9SC02492A","","x-ray","0.71073","MoKα","","0.0595","0.0488","","","0.1193","0.1279","","","","","","1.172","","","","has coordinates","216777","2020-10-21","18:00:00",""
"1551987","29.638","0.003","9.9154","0.0009","17.199","0.002","90","","102.137","0.008","90","","4941.3","0.9","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C256 H192 N16 O24 -","8","2","","Alfonzo, Edwin; Beeler, Aaron B.","A sterically encumbered photoredox catalyst enables the unified synthesis of the classical lignan family of natural products","Chemical Science","2019","","","","","10.1039/C9SC02682G","","","1.54178","CuKα","","0.0876","0.0752","","","0.205","0.2197","","","","","","1.055","","","","has coordinates","216778","2020-10-21","18:00:00",""
"1552033","14.3566","0.0004","13.3287","0.0003","23.2251","0.0007","90","","99.837","0.002","90","","4378.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.55 H40.72 Cl7 P Rh2 Si2 -","- C39.549 H40.728 Cl7 P Rh2 Si2 -","- C158.196 H162.912 Cl28 P4 Rh8 Si8 -","4","1","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","0.71073","MoKα","","0.0511","0.0429","","","0.0725","0.0746","","","","","","1.235","","","","has coordinates,has disorder","216847","2020-10-21","18:00:00",""
"1552034","18.6773","0.0005","20.3524","0.0004","21.3813","0.0005","90","","115.129","0.002","90","","7358.4","0.3","153.15","","153.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C67 H65 Cl6 F6 O6 P3 Rh2 S2 Si2 -","- C63 F3 O3 P3 Rh2 S Si2 -","- C252 F12 O12 P12 Rh8 S4 Si8 -","4","1","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","1.54186","CuKα","","0.0899","0.0652","","","0.1713","0.1845","","","","","","1.038","","","","has coordinates","216847","2020-10-21","18:00:00",""
"1552035","13.5229","0.0013","14.4511","0.0013","16.9413","0.0016","82.096","0.002","83.193","0.002","72.058","0.002","3109.6","0.5","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C32.95 H34.41 F1.5 O2.74 P Rh0.5 S0.5 Si -","- C32.966 H35.947 F1.5 O2.7415 P Rh0.5 S0.5 Si -","- C131.864 H143.788 F6 O10.966 P4 Rh2 S2 Si4 -","4","2","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","","0.71073","MoKα","","0.0682","0.0459","","","0.112","0.1303","","","","","","1.056","","","","has coordinates,has disorder","216847","2020-10-21","18:00:00",""
"1552036","12.7709","0.0007","23.1638","0.0013","24.3054","0.0014","116.325","0.002","96.234","0.002","102.612","0.002","6113","0.6","108","2","108.1","","","","","","","","","9","P -1","-P 1","2","","","","- C55.88 H63.37 F6 N5.38 O6 P Rh2 S2 Si2 -","- C55.8745 H63.3725 F5.9985 N5.375 O5.9985 P Rh2 S1.9995 Si2 -","- C223.498 H253.49 F23.994 N21.5 O23.994 P4 Rh8 S7.998 Si8 -","4","2","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","0.71073","MoKα","","0.1501","0.1086","","","0.2679","0.2987","","","","","","1.07","","","","has coordinates,has disorder","216847","2020-10-21","18:00:00",""
"1552037","10.5393","0.0003","13.589","0.0004","15.1402","0.0004","90.049","0.002","96.419","0.002","91.948","0.002","2153.49","0.11","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C8.67 H8.22 F1.33 O1.33 P0.22 Rh0.44 S0.44 Si0.44 -","- C8.66667 H8.22222 F1.33333 O1.33333 P0.222222 Rh0.444444 S0.444444 Si0.444444 -","- C78 H74 F12 O12 P2 Rh4 S4 Si4 -","9","4.5","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","0.71073","MoKα","","0.0503","0.0334","","","0.066","0.0735","","","","","","1.049","","","","has coordinates","216847","2020-10-21","18:00:00",""
"1552086","10.249","0.0013","12.0899","0.0015","17.74","0.002","90","","91.269","0.002","90","","2197.6","0.5","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","CholestCAACCuCl","","- C46 H74 Cl Cu N2 -","- C46 H74 Cl Cu N2 -","- C92 H148 Cl2 Cu2 N4 -","2","1","","Pichon, Delphine; Soleilhavoup, Michele; Morvan, Jennifer; Junor, Glen P.; Vives, Thomas; Crévisy, Christophe; Lavallo, Vincent; Campagne, Jean-Marc; Mauduit, Marc; Jazzar, Rodolphe; Bertrand, Guy","The debut of chiral cyclic (alkyl)(amino)carbenes (CAACs) in enantioselective catalysis","Chemical Science","2019","","","","","10.1039/C9SC02810B","","","0.71073","MoKα","","0.0432","0.0324","","","0.0668","0.0695","","","","","","0.947","","","","has coordinates","216965","2020-10-21","18:00:00",""
"1552096","11.6975","0.0002","15.0053","0.0003","19.3767","0.0003","90","","94.765","0.002","90","","3389.33","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 O4 P2 Pd -","- C40 H36 O4 P2 Pd -","- C160 H144 O16 P8 Pd4 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0354","0.0289","","","0.0703","0.0743","","","","","","1.043","","","","has coordinates","216988","2020-10-21","18:00:00",""
"1552097","11.0527","0.0002","23.8864","0.0004","17.0272","0.0002","90","","99.5561","0.0016","90","","4432.96","0.12","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 O4 P2 Pd2 -","- C52 H46 O4 P2 Pd2 -","- C208 H184 O16 P8 Pd8 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0314","0.0243","","","0.0547","0.0576","","","","","","1.034","","","","has coordinates","216988","2020-10-21","18:00:00",""
"1552098","13.5043","0.0004","13.6723","0.0004","14.3402","0.0004","92.507","0.002","111.038","0.002","96.346","0.002","2446.12","0.13","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60.39 H59.39 O0.39 P3 Pd -","- C60.391 H59.391 O0.391 P3 Pd -","- C120.782 H118.782 O0.782 P6 Pd2 -","2","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","0.71073","MoKα","","0.0409","0.0326","","","0.0656","0.0701","","","","","","1.062","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552099","16.3726","0.0005","23.1564","0.0006","18.9888","0.0004","90","","95.645","0.002","90","","7164.3","0.3","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H73 Br2 O P5 Pd3 -","- C82 H73 Br2 O P5 Pd3 -","- C328 H292 Br8 O4 P20 Pd12 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0884","0.0704","","","0.163","0.1714","","","","","","1.202","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552100","17.6962","0.0002","18.85329","0.00016","29.4453","0.0003","90","","106.759","0.0012","90","","9406.6","0.17","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H70 Cl17 P5 Pd3 -","- C83 H70 Cl17 P5 Pd3 -","- C332 H280 Cl68 P20 Pd12 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0438","0.0358","","","0.0917","0.0978","","","","","","1.033","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552101","11.8269","0.0002","29.4867","0.0005","14.1794","0.0002","90","","108.729","0.0019","90","","4683.03","0.14","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H51 O3 P3 Pd2 -","- C54 H51 O3 P3 Pd2 -","- C216 H204 O12 P12 Pd8 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0353","0.0278","","","0.0646","0.0684","","","","","","1.022","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552108","20.7441","0.0003","10.7498","0.00016","21.6524","0.0003","90","","101.754","0.0014","90","","4727.14","0.12","100","0.3","100","0.3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H71 O19 P V6 -","- C32 H71 O19 P V6 -","- C128 H284 O76 P4 V24 -","4","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0584","0.0568","","","0.1553","0.1568","","","","","","1.055","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552109","33.341","0.0003","10.7669","0.0001","20.2152","0.0002","90","","92.608","0.001","90","","7249.32","0.12","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H47 O19 P V6 -","- C20 H47 O19 P V6 -","- C160 H376 O152 P8 V48 -","8","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0445","0.0414","","","0.1165","0.1188","","","","","","1.079","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552110","13.7288","0.0001","16.0095","0.0001","18.8692","0.0002","90","","90","","90","","4147.28","0.06","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 O19 P V6 -","- C30 H51 O19 P V6 -","- C120 H204 O76 P4 V24 -","4","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0417","0.0395","","","0.1074","0.1088","","","","","","1.09","","","","has coordinates","217045","2020-10-21","18:00:00",""
"1552111","11.0627","0.0008","10.8304","0.0007","16.9545","0.0012","90","","108.004","0.008","90","","1931.9","0.2","100","0.4","100","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H49 O19 P V6 -","- C25 H49 O19 P V6 -","- C50 H98 O38 P2 V12 -","2","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.1425","0.1213","","","0.2832","0.3019","","","","","","1.093","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552112","20.7527","0.0003","20.6175","0.0003","17.6285","0.0003","90","","106.417","0.002","90","","7235.2","0.2","192.99","0.1","192.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H45 O19 P V6 -","- C15 H45 O19 P V6 -","- C120 H360 O152 P8 V48 -","8","2","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.1242","0.0967","","","0.2638","0.2878","","","","","","1.048","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552120","19.053","0.0003","20.7671","0.0002","17.0951","0.0002","90","","103.403","0.001","90","","6579.88","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 Mg N2 -","- C35 H52 Mg N2 -","- C280 H416 Mg8 N16 -","8","2","","García, Lucía; Dinoi, Chiara; Mahon, Mary F.; Laurent, Maron; Hill, Michael","Magnesium hydride alkene insertion and catalytic hydrosilylation","Chemical Science","2019","","","","","10.1039/C9SC02056J","","x-ray","1.54184","CuKα","","0.076","0.0511","","","0.139","0.1563","","","","","","1.043","","","","has coordinates,has disorder","217204","2020-10-21","18:00:00",""
"1552121","18.7502","0.0003","20.6951","0.0004","8.5719","0.0002","90","","90","","90","","3326.22","0.11","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H52 Mg N2 -","- C36 H52 Mg N2 -","- C144 H208 Mg4 N8 -","4","0.5","","García, Lucía; Dinoi, Chiara; Mahon, Mary F.; Laurent, Maron; Hill, Michael","Magnesium hydride alkene insertion and catalytic hydrosilylation","Chemical Science","2019","","","","","10.1039/C9SC02056J","","","1.54184","CuKα","","0.0598","0.0466","","","0.1164","0.1232","","","","","","1.053","","","","has coordinates,has disorder","217204","2020-10-21","18:00:00",""
"1552131","5.322","0.008","6.293","0.01","8.099","0.012","104.05","0.02","99.08","0.02","99.34","0.02","254.1","0.7","296","","296.15","","","","","","","","","2","P -1","-P 1","2","","HMB","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Li, Liang; Commins, Patrick; Al-Handawi, Marieh B.; Karothu, Durga Prasad; Halabi, Jad Mahmoud; Schramm, Stefan; Weston, James; Rezgui, Rachid; Naumov, Panče","Martensitic organic crystals as soft actuators","Chemical Science","2019","","","","","10.1039/C9SC02444A","","x-ray","0.71073","MoKα","","0.0753","0.0675","","","0.2211","0.2318","","","","","","1.123","","","","has coordinates","217249","2020-10-21","18:00:00",""
"1552137","12.59949","0.00018","10.669","0.00013","17.9124","0.0003","90","","108.335","0.0015","90","","2285.62","0.06","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H19 Au Cl3 O2 P -","- C22.5 H19 Au Cl3 O2 P -","- C90 H76 Au4 Cl12 O8 P4 -","4","1","","Hofer, Manuel; de Haro, Teresa; Gómez-Bengoa, Enrique; Genoux, Alexandre; Nevado, Cristina","Oxidant speciation and anionic ligand effects in the gold-catalyzed oxidative coupling of arenes and alkynes","Chemical Science","2019","","","","","10.1039/C9SC02372K","","","0.71073","MoKα","","0.0281","0.0239","","","0.0518","0.0536","","","","","","1.052","","","","has coordinates","217336","2020-10-21","18:00:00",""
"1552144","14.609","0.0013","14.609","0.0013","21.144","0.002","90","","90","","90","","4512.6","0.7","116","2","116.62","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(n-Bu3NH)2[V(4-Br-C6H3O2)3]","tris(4-bromocatecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H64 Br3 N2 O6 V -","- C42 H65 Br3 N2 O6 V -","- C168 H260 Br12 N8 O24 V4 -","4","0.5","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","","0.71073","MoKα","","0.0566","0.0376","","","0.0955","0.1261","","","","","","1.131","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552145","12.039","0.005","12.432","0.006","37.11","0.02","83.93","0.03","89.04","0.02","84.219","0.019","5495","5","145","2","145.03","","","","","","","","","6","P -1","-P 1","2","(n-Bu3NH)2[V(C6Br4O2)3]","tris(tetrabromocatecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H56 Br12 N2 O6 V -","- C42 H56 Br12 N2 O6 V -","- C168 H224 Br48 N8 O24 V4 -","4","2","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","x-ray","0.71076","MoKα","","0.0829","0.0653","","","0.1622","0.1685","","","","","","1.154","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552146","10.725","0.0006","10.725","0.0006","42.298","0.003","90","","90","","90","","4865.4","0.5","120","2","119.76","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(n-Bu3NH)2[V(4,5-Br2-C6H2O2)3]","tris(4,5-dibromo-catecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H62 Br6 N2 O6 V -","- C42 H62 Br6 N2 O6 V -","- C168 H248 Br24 N8 O24 V4 -","4","0.5","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","","0.71073","MoKα","","0.0525","0.0508","","","0.1459","0.15","","","","","","1.148","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552147","21.778","0.006","40.485","0.01","30.75","0.008","90","","99.764","0.003","90","","26719","12","200","2","200","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C232 H306 Ag28 B2 O P4 Pt S18 -","- C232 H305 Ag28 B2 O P4 Pt S18 -","- C928 H1220 Ag112 B8 O4 P16 Pt4 S72 -","4","1","","Kang, Xi; Huang, Li; Liu, Wei; Xiong, Lin; Pei, Yong; Sun, Zhihu; Wang, Shuxin; Wei, Shiqiang; Zhu, Manzhou","Reversible nanocluster structure transformation between face-centered cubic and icosahedral isomers","Chemical Science","2019","","","","","10.1039/C9SC02667C","","","0.71073","MoKα","","0.1353","0.1114","","","0.28","0.288","","","","","","1.088","","","","has coordinates","217405","2020-10-21","18:00:00",""
"1552148","10.6862","0.0013","27.986","0.003","10.6712","0.0013","90","","118.639","0.004","90","","2800.9","0.6","303","2","303","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl N2 O3 S -","- C29 H31 Cl N2 O3 S -","- C116 H124 Cl4 N8 O12 S4 -","4","1","","Guo, Jing-Yu; Zhang, Ze-Yu; Guan, Ting; Mao, Lei-Wen; Ban, Qian; ZHAO, KAI; Loh, Teck-Peng","Photoredox-Catalyzed Stereoselective Alkylation of Enamides with N-Hydroxyphthalimide Esters via Decarboxylative Cross-Coupling Reactions","Chemical Science","2019","","","","","10.1039/C9SC03070K","","","0.71073","MoKα","","0.0675","0.0604","","","0.1211","0.1259","","","","","","1.086","","","","has coordinates","217406","2020-10-21","18:00:00",""
"1552157","31.0922","0.0006","11.7199","0.0002","7.596","0.0001","90","","90","","90","","2767.96","0.08","100","","100","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C17 H22 O -","- C17 H22 O -","- C136 H176 O8 -","8","1","","Stegbauer, Simone; Jeremias, Noah; Jandl, Christian; Bach, Thorsten","Reversal of reaction type selectivity by Lewis acid coordination: the ortho photocycloaddition of 1- and 2-naphthaldehyde","Chemical Science","2019","","","","","10.1039/C9SC03315G","","x-ray","1.54178","CuKα","","0.0475","0.0409","","","0.1138","0.1193","","","","","","1.021","","","","has coordinates,has disorder","217440","2020-10-21","18:00:00",""
"1552158","12.2853","0.0004","11.4142","0.0004","23.9255","0.0007","90","","92.033","0.001","90","","3352.89","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 P3 -","- C36 H51 P3 -","- C144 H204 P12 -","4","1","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0372","0.0319","","","0.0825","0.0868","","","","","","1.022","","","","has coordinates","217441","2020-10-21","18:00:00",""
"1552159","10.8329","0.0005","11.8131","0.0005","17.8655","0.0008","90","","90","","90","","2286.25","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 P3 Ti -","- C22 H37 P3 Ti -","- C88 H148 P12 Ti4 -","4","1","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0332","0.0295","","","0.066","0.0683","","","","","","1.023","","","","has coordinates","217441","2020-10-21","18:00:00",""
"1552160","5.9448","0.0005","8.5877","0.0007","14.1215","0.0011","91.241","0.001","100.093","0.001","91.146","0.001","709.4","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H46 P2 -","- C30 H46 P2 -","- C30 H46 P2 -","1","0.5","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.043","0.0368","","","0.0969","0.1029","","","","","","1.037","","","","has coordinates,has disorder","217441","2020-10-21","18:00:00",""
"1552161","25.4903","0.0014","11.6583","0.0006","16.449","0.0009","90","","107.897","0.001","90","","4651.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H68 P2 Ti -","- C52 H68 P2 Ti -","- C208 H272 P8 Ti4 -","4","0.5","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0508","0.0348","","","0.0805","0.0912","","","","","","1.023","","","","has coordinates,has disorder","217441","2020-10-21","18:00:00",""
"1552162","10.0969","0.0014","17.548","0.002","20.053","0.003","90","","93.959","0.003","90","","3544.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 D6 P2 Ti -","- C40 H50 P2 Ti -","- C160 H200 P8 Ti4 -","4","1","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0442","0.0346","","","0.086","0.0941","","","","","","1.049","","","","has coordinates,has disorder","217441","2020-10-21","18:00:00",""
"1552163","6.2462","0.0005","7.5477","0.0006","31.123","0.002","90","","90","","90","","1467.28","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Li, Junhua; Wei, Jialiang; Zhu, Bencong; Wang, Teng; Jiao, Ning","Cu-catalyzed Oxygenation of Alkene-tethered Amides with O2 via Unactivated C=C Bond Cleavage: A Direct Approach to Cyclic Imides","Chemical Science","2019","","","","","10.1039/C9SC03175H","","","0.71073","MoKα","","0.0659","0.0429","","","0.0891","0.0972","","","","","","1.051","","","","has coordinates","217442","2020-10-21","18:00:00",""
"1552165","10.02984","0.00008","10.88201","0.00008","30.5021","0.0002","90","","90","","90","","3329.15","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N2 O11 -","- C36 H36 N2 O11 -","- C144 H144 N8 O44 -","4","1","","Correa, Arkaitz; San Segundo, Marcos","Pd-Catalyzed Site-Selective C(sp2)‒H Radical Acylation of Phenylalanine Containing Peptides with Aldehydes","Chemical Science","2019","","","","","10.1039/C9SC03425K","","x-ray","1.54184","CuKα","","0.0315","0.0301","","","0.0738","0.0749","","","","","","1.054","","","","has coordinates","217457","2020-10-21","18:00:00",""
"1552166","8.22428","0.00016","13.92307","0.00019","8.40898","0.00016","90","","115.927","0.002","90","","865.98","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H13 Br2 Cl N2 O3 -","- C16 H13 Br2 Cl N2 O3 -","- C32 H26 Br4 Cl2 N4 O6 -","2","1","","Correa, Arkaitz; San Segundo, Marcos","Pd-Catalyzed Site-Selective C(sp2)‒H Radical Acylation of Phenylalanine Containing Peptides with Aldehydes","Chemical Science","2019","","","","","10.1039/C9SC03425K","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.072","0.0727","","","","","","1.047","","","","has coordinates","217457","2020-10-21","18:00:00",""
"1552167","28.14","0.003","40.411","0.003","83.201","0.009","90","","90","","90","","94613","16","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C19.46 H9.44 La0.57 O5.49 S2.29 -","- C19.4633 H9.444 La0.566929 O5.48659 S2.29086 -","- C2179.89 H1057.73 La63.496 O614.498 S256.576 -","112","7","","Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea","Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks","Chemical Science","2019","","","","","10.1039/C9SC03348C","","","1.54178","CuKα","","0.1535","0.1142","","","0.3327","0.3654","","","","","","1.332","","","","has coordinates,has disorder","217458","2020-10-21","18:00:00",""
"1552168","11.099","0.007","14.956","0.01","19.81","0.008","85.806","0.015","88.145","0.016","86.963","0.013","3274","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H20 La N O7.5 S3 -","- C28.5 H20 La N O7.5 S3 -","- C114 H80 La4 N4 O30 S12 -","4","2","","Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea","Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks","Chemical Science","2019","","","","","10.1039/C9SC03348C","","","0.71073","MoKα","","0.1322","0.0673","","","0.1551","0.1853","","","","","","0.997","","","","has coordinates,has disorder","217458","2020-10-21","18:00:00",""
"1552169","18.098","0.004","9.345","0.002","22.051","0.005","90","","90.202","0.004","90","","3729.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 La N O9 S4 -","- C37 H24 La N O9 S4 -","- C148 H96 La4 N4 O36 S16 -","4","1","","Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea","Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks","Chemical Science","2019","","","","","10.1039/C9SC03348C","","","0.71073","MoKα","","0.0922","0.0484","","","0.1046","0.12","","","","","","1.014","","","","has coordinates,has disorder","217458","2020-10-21","18:00:00",""
"1552170","9.6152","0.0003","9.1982","0.0003","17.2275","0.0005","90","","92.473","0.003","90","","1522.22","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N8 O2 Pt -","- C11 H14 N8 O2 Pt -","- C44 H56 N32 O8 Pt4 -","4","1","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","x-ray","0.71073","MoKα","","0.0623","0.0549","","","0.1431","0.1509","","","","","","1.046","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552171","8.4653","0.0005","8.7128","0.0006","10.9563","0.0004","71.076","0.005","79.831","0.004","84.892","0.006","751.97","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N10 O3 Pt -","- C8 H16 N10 O3 Pt -","- C16 H32 N20 O6 Pt2 -","2","1","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","x-ray","0.71073","MoKα","","0.0539","0.0396","","","0.1","0.1154","","","","","","1.021","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552172","7.09413","0.00013","11.18048","0.0002","12.327","0.0002","90","","90.6038","0.0017","90","","977.67","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N8 O4 Pt -","- C14 H24 N8 O4 Pt -","- C28 H48 N16 O8 Pt2 -","2","0.5","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","","0.71073","MoKα","","0.0264","0.0185","","","0.0409","0.0455","","","","","","1.052","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552173","3.7996","0.0001","8.1562","0.0003","9.0053","0.0003","88.995","0.003","86.555","0.003","76.997","0.003","271.427","0.016","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N8 Pt S2 -","- C6 H6 N8 Pt S2 -","- C6 H6 N8 Pt S2 -","1","0.5","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","","0.71073","MoKα","","0.0175","0.0175","","","0.0392","0.0392","","","","","","1.08","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552174","9.4521","0.0002","9.5887","0.0002","12.0611","0.0002","97.817","0.002","105.393","0.002","114.191","0.002","923.39","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N8 O4 Pt -","- C14 H16 N8 O4 Pt -","- C28 H32 N16 O8 Pt2 -","2","1","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","x-ray","0.71073","MoKα","","0.03","0.0228","","","0.0547","0.0579","","","","","","1.134","","","","has coordinates,has disorder","217469","2020-10-21","18:00:00",""
"1552175","10.5439","0.0005","12.3994","0.0005","14.5971","0.0006","87.794","0.002","79.277","0.002","68.813","0.002","1747.47","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H40 N4 O7 -","- C41 H40 N4 O7 -","- C82 H80 N8 O14 -","2","1","","Nicke, Lennart; Horx, Philip; Harms, Klaus; Geyer, Armin","Directed C(sp3)‒H arylation of tryptophan: transformation of the directing group into an activated amide","Chemical Science","2019","","","","","10.1039/C9SC03440D","","","0.71073","MoKα","","0.0561","0.0458","","","0.1042","0.1093","","","","","","1.051","","","","has coordinates","217470","2020-10-21","18:00:00",""
"1552176","8.5853","0.0004","7.0808","0.0002","14.4608","0.0007","90","","96.828","0.004","90","","872.85","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O4 -","- C21 H17 N3 O4 -","- C42 H34 N6 O8 -","2","1","","Nicke, Lennart; Horx, Philip; Harms, Klaus; Geyer, Armin","Directed C(sp3)‒H arylation of tryptophan: transformation of the directing group into an activated amide","Chemical Science","2019","","","","","10.1039/C9SC03440D","","","1.54186","CuKα","","0.0348","0.0312","","","0.0829","0.0844","","","","","","1.08","","","","has coordinates,has disorder","217470","2020-10-21","18:00:00",""
"1552177","9.63219","0.00011","9.47828","0.00009","12.7213","0.00014","90","","106.27","0.0012","90","","1114.9","0.02","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(2-(dimethyl(phenyl)silyl)-2-phenylethyl)-4-methylbenzenesulfonamide","","- C23 H27 N O2 S Si -","- C23 H27 N O2 S Si -","- C46 H54 N2 O4 S2 Si2 -","2","1","","Takeda, Youhei; Shibuta, Kaoru; Aoki, Shohei; Tohnai, Norimitsu; Minakata, Satoshi","Catalyst-controlled regiodivergent ring-opening C(sp3)‒Si bond-forming reactions of 2-arylaziridines with silylborane enabled by synergistic palladium/copper dual catalysis","Chemical Science","2019","","","","","10.1039/C9SC02507C","","","1.54187","CuKα","","0.0355","0.0352","","","0.0948","0.095","","","","","","1.077","","","","has coordinates","217481","2020-10-21","18:00:00",""
"1552178","17.1883","0.0007","19.8237","0.0008","25.0041","0.001","112.264","0.004","93.732","0.003","109.808","0.004","7232.7","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C146 H155 B10 O21.5 -","- C146 H155 B10 O21.5 -","- C292 H310 B20 O43 -","2","1","","Kato, Kenta; Lin, Hsing-An; Kuwayama, Motonobu; Nagase, Mai; Segawa, Yasutomo; Scott, Lawrence T.; Itami, Kenichiro","Two-step synthesis of a red-emissive warped nanographene derivative via a ten-fold C-H borylation","Chemical Science","2019","","","","","10.1039/C9SC03061A","","","0.71073","MoKα","","0.3042","0.1266","","","0.3072","0.4142","","","","","","1.064","","","","has coordinates,has disorder","217482","2020-10-21","18:00:00",""
"1552179","7.7689","0.0003","12.718","0.0006","12.8936","0.0006","84.839","0.003","81.171","0.002","79.286","0.003","1234.43","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N3 O5 S3 -","- C23 H25 N3 O5 S3 -","- C46 H50 N6 O10 S6 -","2","1","","Nguyen, Quynh H.; Nguyen, Nguyen H.; Kim, Hanbyul; Shin, Seunghoon","Synthesis of γ-substituted carbonyl compounds from DMSO-mediated oxidation of enynamides: mechanistic insights and carbon- and hetero-functionalizations","Chemical Science","2019","","","","","10.1039/C9SC03663F","","","0.71073","MoKα","","0.0741","0.0543","","","0.1408","0.1535","","","","","","1.069","","","","has coordinates,has disorder","217498","2020-10-21","18:00:00",""
"1552180","8.0043","0.0003","10.7993","0.0004","12.4643","0.0005","95.266","0.003","100.867","0.003","92.113","0.003","1052.02","0.07","296","0.18","296","0.18","","","","","","","","6","P -1","-P 1","2","","dimethyl 2-(5-(N-acetylsulfamoyl)-2-(thiazol-2-yl)-4-(trifluoromethoxy)phenyl)malonate","","- C17 H15 F3 N2 O8 S2 -","- C17 H15 F3 N2 O8 S2 -","- C34 H30 F6 N4 O16 S4 -","2","1","","Dong, Yi; Zhang, Xuepeng; Chen, Jiajing; Zou, Wenxing; Lin, Songwen; Xu, Heng","Switching the site-selectivity of C‒H activation in aryl sulfonamides containing strongly coordinating N-heterocycles","Chemical Science","2019","","","","","10.1039/C9SC03691A","","x-ray","1.54184","CuKα","","0.05","0.0459","","","0.1222","0.1269","","","","","","1.058","","","","has coordinates","217499","2020-10-21","18:00:00",""
"1552181","9.3787","0.0004","10.6208","0.0005","11.4671","0.0006","85.869","0.004","72.343","0.004","71.018","0.004","1028.78","0.09","109.5","0.5","109.5","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 F3 N2 O9 S2 -","- C17 H18 F3 N2 O9 S2 -","- C34 H36 F6 N4 O18 S4 -","2","1","","Dong, Yi; Zhang, Xuepeng; Chen, Jiajing; Zou, Wenxing; Lin, Songwen; Xu, Heng","Switching the site-selectivity of C‒H activation in aryl sulfonamides containing strongly coordinating N-heterocycles","Chemical Science","2019","","","","","10.1039/C9SC03691A","","x-ray","1.54184","CuKα","","0.0523","0.0449","","","0.1186","0.126","","","","","","1.027","","","","has coordinates","217499","2020-10-21","18:00:00",""
"1552182","12.9255","0.0002","19.9189","0.0002","18.8428","0.0003","90","","95.488","0.001","90","","4829.06","0.12","297.25","0.1","297.25","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H109 N6 Na O38 Sn6 -","- C68 H78 N6 Na O32 Sn6 -","- C136 H156 N12 Na2 O64 Sn12 -","2","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","1.54178","CuKα","","0.0769","0.0652","","","0.1439","0.1518","","","","","","1.016","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552183","16.627","0.003","19.217","0.004","24.646","0.006","87.755","0.008","84.536","0.009","65.502","0.006","7133","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H340 Cl12 N8 O92 Sn30 -","- C152 H266 Cl12 N8 O76 Sn30 -","- C152 H266 Cl12 N8 O76 Sn30 -","1","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.1033","0.0768","","","0.1458","0.1571","","","","","","1.08","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552184","17.8261","0.0015","20.7264","0.0008","19.198","0.0015","90","","115.285","0.01","90","","6413.5","0.9","100.02","0.13","100.02","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H188 O52 Sn12 -","- C78 H158 O46 Sn12 -","- C156 H316 O92 Sn24 -","2","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","1.54178","CuKα","","0.1412","0.0997","","","0.1984","0.2143","","","","","","1.01","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552185","26.5875","0.0005","12.3043","0.0002","22.3663","0.0004","90","","98.407","0.002","90","","7238.3","0.2","296.76","0.1","296.76","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H92 O20 P4 Sn6 -","- C54 H92 O20 P4 Sn6 -","- C216 H368 O80 P16 Sn24 -","4","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","1.54178","CuKα","","0.0443","0.0406","","","0.1046","0.1098","","","","","","1.016","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552186","16.08","0.003","16.408","0.003","26.664","0.005","99.647","0.002","94.408","0.003","105.134","0.002","6641","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H304 N12 O94 Sn26 -","- C124 H222.064 N6 O66 Sn26 -","- C124 H222.064 N6 O66 Sn26 -","1","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.0677","0.0493","","","0.0919","0.098","","","","","","1.03","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552187","16.154","0.013","18.36","0.016","23.56","0.02","73.021","0.008","89.189","0.01","68.918","0.011","6203","9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H272 Cl4 N32 O74 Sn26 -","- C106.528 H216 Cl4 N24 O60 Sn26 -","- C106.528 H216 Cl4 N24 O60 Sn26 -","1","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.1443","0.0873","","","0.1262","0.1425","","","","","","1.137","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552188","29.065","0.006","17.858","0.003","57.743","0.011","90","","101.046","0.003","90","","29416","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C196 H376 N10 Na2 O82 Sn34 -","- C190 H342 N9 Na2 O72 Sn34 -","- C760 H1368 N36 Na8 O288 Sn136 -","4","1","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.1503","0.1124","","","0.1679","0.183","","","","","","1.174","","","","has coordinates","217500","2020-10-21","18:00:00",""
"1552189","27.5312","0.0006","21.7757","0.0006","43.5129","0.0011","90","","107.785","0.003","90","","24839.8","1.2","140","0.1","140","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H144 N8 Si12 U2 -","- C52 H144 N8 Si12 U2 -","- C624 H1728 N96 Si144 U24 -","12","1.5","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0661","0.0377","","","0.0829","0.0945","","","","","","0.986","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552190","13.74703","0.00014","32.4889","0.0003","27.4987","0.0003","90","","99.081","0.001","90","","12127.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H208 N2 O24 Si6 U2 -","- C95 H208 N2 O24 Si6 U2 -","- C380 H832 N8 O96 Si24 U8 -","4","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0355","0.0288","","","0.0664","0.07","","","","","","1.018","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552191","15.1641","0.0004","15.315","0.0004","19.3228","0.0006","88.488","0.002","87.105","0.002","82.328","0.002","4440.8","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H147 N6 Na O10 Si11 U2 -","- C54 H147 N6 Na O10 Si11 U2 -","- C108 H294 N12 Na2 O20 Si22 U4 -","2","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0462","0.039","","","0.1007","0.1057","","","","","","1.052","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552192","14.2946","0.0004","16.3627","0.0003","25.1526","0.0006","90","","99.031","0.003","90","","5810.2","0.2","100","2","100","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C88 H198 N2 O24 Si6 U2 -","- C88 H198 N2 O24 Si6 U2 -","- C176 H396 N4 O48 Si12 U4 -","2","0.5","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","0.71073","MoKα","","0.0592","0.0498","","","0.1173","0.1225","","","","","","1.061","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552193","12.4529","0.0004","21.71","0.0006","26.886","0.0007","83.801","0.002","78.048","0.003","78.888","0.003","6960.2","0.4","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H108 N6 O3 Si12 U3 -","- C36 H108 N6 O3 Si12 U3 -","- C144 H432 N24 O12 Si48 U12 -","4","2","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0656","0.0408","","","0.0844","0.0953","","","","","","0.994","","","","has coordinates","217511","2020-10-21","18:00:00",""
"1552194","14.4014","0.0006","19.5701","0.0008","20.1516","0.0009","91.085","0.004","92.236","0.004","91.691","0.004","5671.5","0.4","139.99","0.11","139.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C31 H89 N5 O2 Si10 U2 -","- C31 H89 N5 O2 Si10 U2 -","- C124 H356 N20 O8 Si40 U8 -","4","2","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","0.71073","MoKα","","0.1113","0.0855","","","0.215","0.2269","","","","","","1.068","","","","has coordinates","217511","2020-10-21","18:00:00",""
"1552195","14.65806","0.00012","31.4333","0.0002","17.60034","0.00019","90","","110.221","0.0011","90","","7609.56","0.13","139.99","0.1","139.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H124 N7 Si12 U2 -","- C50 H124 N7 Si12 U2 -","- C200 H496 N28 Si48 U8 -","4","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0359","0.0336","","","0.081","0.082","","","","","","1.163","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552196","16.9403","0.0002","40.0672","0.0005","17.9903","0.0002","90","","96.8053","0.0012","90","","12124.9","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H198 N2 O28 Si6 U2 -","- C90 H198 N2 O28 Si6 U2 -","- C360 H792 N8 O112 Si24 U8 -","4","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0766","0.073","","","0.1878","0.1906","","","","","","1.061","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552197","27.078","0.005","12.193","0.002","16.998","0.003","90","","110.78","0.03","90","","5247","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Ag Cl N8 O4 -","- C26 H20 Ag Cl N8 O4 -","- C208 H160 Ag8 Cl8 N64 O32 -","8","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","","0.71073","MoKα","","0.1878","0.0815","","","0.0951","0.1162","","","","","","1.092","","","","has coordinates,has disorder","217513","2020-10-21","18:00:00",""
"1552198","14.2045","0.0001","23.0696","0.0002","20.6652","0.0002","90","","97.942","0.001","90","","6706.87","0.1","169","6","169","6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Ag2 Cl2 N16 O8 -","- C72 H60 Ag2 Cl2 N16 O8 -","- C288 H240 Ag8 Cl8 N64 O32 -","4","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","x-ray","1.54184","CuKα","","0.0577","0.0534","","","0.1474","0.1507","","","","","","1.065","","","","has coordinates,has disorder","217513","2020-10-21","18:00:00",""
"1552199","10.7387","0.0001","11.8558","0.0002","12.625","0.0002","67.142","0.001","76.626","0.001","86.682","0.001","1440.05","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Ag Cl N8 O4 -","- C30 H25 Ag Cl N8 O4 -","- C60 H50 Ag2 Cl2 N16 O8 -","2","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","x-ray","1.54184","CuKα","","0.0376","0.0373","","","0.1044","0.1047","","","","","","1.042","","","","has coordinates,has disorder","217513","2020-10-21","18:00:00",""
"1552200","13.9995","0.0001","23.1335","0.0003","20.7862","0.0002","90","","97.723","0.001","90","","6670.7","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H60 Ag2 Cl2 N16 O8 -","- C68 H60 Ag2 Cl2 N16 O8 -","- C272 H240 Ag8 Cl8 N64 O32 -","4","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","x-ray","1.54184","CuKα","","0.0785","0.075","","","0.2077","0.2104","","","","","","1.06","","","","has coordinates","217513","2020-10-21","18:00:00",""
"1552201","14.3919","0.0007","15.0704","0.0007","15.2655","0.0008","96.327","0.002","113.1","0.002","102.726","0.002","2898.5","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","[5,15-bis(4-(tert-butyl)phenyl)-10,20-bis((4-(tert-butyl)phenyl)ethynyl)porphyrinato]zinc(II)","","- C72 H76 N4 O2 Zn -","- C72 H76 N4 O2 Zn -","- C144 H152 N8 O4 Zn2 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","x-ray","1.54178","CuKα","","0.067","0.0625","","","0.1869","0.1997","","","","","","1.054","","","","has coordinates,has disorder","217514","2020-10-21","18:00:00",""
"1552202","10.093","0.0006","12.9691","0.0008","13.722","0.0008","111.916","0.003","107.689","0.003","94.609","0.003","1548.96","0.17","123","","123","","","","","","","","Patrick Zwick","6","P -1","-P 1","2","","[5,15-dimesityl-10,20-bis((trimethylsilyl)ethynyl)porphyrinato]zinc(II)","","- C68 H88 N4 O5 Si2 Zn -","- C68 H88 N4 O5 Si2 Zn -","- C68 H88 N4 O5 Si2 Zn -","1","0.5","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.5418","CuKα","","0.0999","0.0841","","0.2288","0.2113","0.2281","","","","","","0.932","","","","has coordinates,has disorder","217514","2020-10-21","18:00:00",""
"1552203","10.1051","0.0006","15.0628","0.0008","15.657","0.0009","71.6998","0.0019","78.9052","0.0019","77.5688","0.0019","2189.5","0.2","123","","123","","","","","","","","Patrick Zwick","4","P -1","-P 1","2","","5,15-bis(4-(tert-butyl)phenyl)-10,20-bis((trimethylsilyl)ethynyl)-porphyrin","","- C50 H54 N4 Si2 -","- C50 H54 N4 Si2 -","- C100 H108 N8 Si4 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0562","0.0541","","0.1127","0.1125","0.1127","","","","","","0.9088","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552204","9.3697","0.0007","10.2821","0.0008","14.2974","0.0011","106.979","0.003","98.215","0.003","92.569","0.003","1298.4","0.17","123","","123","","","","","","","","Patrick Zwick","6","P -1","-P 1","2","","[5,15-bis(4-(tert-butyl)phenyl)-10,20-bis((trimethylsilyl)ethynyl)-porphyrinato]zinc(II)","","- C58 H68 N4 O2 Si2 Zn -","- C58 H68 N4 O2 Si2 Zn -","- C58 H68 N4 O2 Si2 Zn -","1","0.5","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.5418","CuKα","","0.0316","0.0292","","0.071","0.0692","0.071","","","","","","0.9668","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552205","11.2455","0.0005","14.4419","0.0006","14.439","0.0006","90","","99.887","0.003","90","","2310.16","0.17","123","","123","","","","","","","","Patrick Zwick","4","P 1 21 1","P 2yb","4","","5,15-dimesityl-10,20-bis((trimethylsilyl)ethynyl)porphyrin","","- C52 H58 N5 Si2 -","- C52 H58 N5 Si2 -","- C104 H116 N10 Si4 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0641","0.059","","0.1446","0.1414","0.1446","","","","","","0.9484","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552206","10.2458","0.0005","16.2032","0.0007","19.8087","0.0009","72.034","0.003","79.82","0.004","73.234","0.004","2981.3","0.2","130","","130","","","","","","","","Patrick Zwick","5","P -1","-P 1","2","","S,S'-(((10,20-bis(3,5-di-tert-butylphenyl)porphyrin-5,15-diyl)bis(ethyne-2,1-diyl))bis(4,1-phenylene))diethanethioate","","- C68 H66 N4 O2 S2 -","- C68 H66 N4 O2 S2 -","- C136 H132 N8 O4 S4 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.34143","GaKα","","0.1631","0.1045","","0.3578","0.2747","0.3506","","","","","","1.1616","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552207","10.5687","0.0006","17.5433","0.0009","14.2726","0.0008","90","","90.077","0.003","90","","2646.3","0.3","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","[S,S'-(((10,20-bis(4-(tert-butyl)phenyl)porphyrinato-5,15-diyl)bis(ethyne-2,1-diyl))bis(4,1-phenylene)) diethanethioate]zinc(II)","","- C64 H56 N4 O3 S2 Zn -","- C64 H56 N4 O3 S2 Zn -","- C128 H112 N8 O6 S4 Zn2 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0456","0.0439","","0.117","0.1153","0.117","","","","","","0.8466","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552208","13.6207","0.0003","16.2758","0.0003","15.1875","0.0003","90","","133.42","0.001","90","","2445.48","0.09","130","","130","","","","","","","","Patrick Zwick","3","P 1 21/n 1","-P 2yn","14","","5,10,15,20-tetrakis-(4-(tert-butyl)phenyl) porphyrin","","- C60 H62 N4 -","- C60 H62 N4 -","- C120 H124 N8 -","2","0.5","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.34143","GaKα","","0.0448","0.0433","","0.1115","0.1101","0.1115","","","","","","0.9103","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552209","31.3225","0.0013","12.3379","0.0005","14.6291","0.0006","90","","90","","90","","5653.5","0.4","123","","123","","","","","","","","Patrick Zwick","5","P n a 21","P 2c -2n","33","","5,15-bis(3,5-di-tert-butylphenyl)-10,20-bis((trimethylsilyl)ethynyl)-porphyrin","","- C62 H78 N4 O Si2 -","- C62 H78 N4 O Si2 -","- C248 H312 N16 O4 Si8 -","4","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.5418","CuKα","","0.073","0.0568","","0.146","0.1336","0.146","","","","","","0.9893","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552210","10.7298","0.0005","11.865","0.0005","19.6541","0.0007","83.163","0.003","86.568","0.003","70.525","0.004","2341.67","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H78 Al N4 P Ru -","- C47 H78 Al N4 P Ru -","- C94 H156 Al2 N8 P2 Ru2 -","2","1","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","","0.71073","MoKα","","0.0551","0.0445","","","0.105","0.1116","","","","","","1.057","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552211","12.1911","0.0005","13.8827","0.0007","15.1624","0.0006","106.195","0.004","102.711","0.003","103.796","0.004","2277.5","0.2","173","2","173","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C92 H122 Al4 N8 Pd4 -","- C92 H122 Al4 N8 Pd4 -","- C92 H122 Al4 N8 Pd4 -","1","0.5","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","x-ray","0.71073","MoKα","","0.0558","0.041","","","0.0851","0.0917","","","","","","1.067","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552212","12.6182","0.0005","13.8635","0.0005","22.8654","0.001","95.322","0.003","95.111","0.003","112.036","0.004","3658.3","0.3","173","0.1","173","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H116 Al2 D2 N4 P2 Pd2 -","- C78 H116 Al2 D2 N4 P2 Pd2 -","- C156 H232 Al4 D4 N8 P4 Pd4 -","2","1","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","neutron","","neutron","","0.2298","0.1143","","0.4986","0.1663","0.1218","","","","","","1.2306","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552213","24.5447","0.0004","15.2883","0.0003","14.8424","0.0002","90","","95.2938","0.0014","90","","5545.81","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Al2 N4 Pd2 -","- C58 H86 Al2 N4 Pd2 -","- C232 H344 Al8 N16 Pd8 -","4","0.5","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","x-ray","1.54184","CuKα","","0.0324","0.0271","","","0.0662","0.07","","","","","","1.035","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552214","12.566","0.0004","13.8938","0.0006","14.1192","0.0007","114.468","0.005","101.107","0.003","101.892","0.003","2085.85","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H130 Al2 N4 P2 Pd2 -","- C90 H130 Al2 N4 P2 Pd2 -","- C90 H130 Al2 N4 P2 Pd2 -","1","0.5","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","","0.71073","MoKα","","0.0281","0.0235","","","0.0559","0.0585","","","","","","1.045","","","","has coordinates,has disorder","217515","2020-10-21","18:00:00",""
"1552215","9.5661","0.0001","14.0025","0.0002","21.2941","0.0003","90","","94.929","0.001","90","","2841.78","0.06","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate","","- C28 H29 Co F6 N4 O2 P -","- C28 H29 Co F6 N4 O2 P -","- C112 H116 Co4 F24 N16 O8 P4 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0333","0.0316","","","0.0817","0.0831","","","","","","1.035","","","","has coordinates","217516","2020-10-21","18:00:00",""
"1552216","15.5155","0.0007","13.3294","0.0005","18.3984","0.0008","90","","103.643","0.005","90","","3697.7","0.3","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-zinc(II) hexafluorophosphate toluene solvate","","- C38.5 H41 F6 N4 O2 P Zn -","- C38.5 H41 F6 N4 O2 P Zn -","- C154 H164 F24 N16 O8 P4 Zn4 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0696","0.0516","","","0.1346","0.1501","","","","","","1.035","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552217","11.5686","0.0001","31.881","0.0004","22.0748","0.0002","90","","94.031","0.001","90","","8121.45","0.14","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,5-di-tert-butyl-catecholato)-(tris(6-methyl-2-pyridylmethyl)amine)-zinc(II) hexafluorophosphate toluene solvate","","- C42 H52 F6 N4 O2 P Zn -","- C42 H52 F6 N4 O2 P Zn -","- C336 H416 F48 N32 O16 P8 Zn8 -","8","2","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0463","0.0426","","","0.1157","0.1191","","","","","","1.037","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552218","15.4478","0.0004","13.2858","0.0003","18.489","0.0005","90","","103.839","0.003","90","","3684.46","0.17","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate toluene solvate","","- C38.5 H41 Co F6 N4 O2 P -","- C38.5 H41 Co F6 N4 O2 P -","- C154 H164 Co4 F24 N16 O8 P4 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0568","0.0472","","","0.1202","0.127","","","","","","1.052","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552219","13.275","0.0004","13.448","0.0005","16.9694","0.0005","86.195","0.003","72.635","0.003","84.222","0.003","2874.55","0.17","130","0.1","130","0.1","","","","","","","","7","P -1","-P 1","2","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate","","- C28 H29 Co F6 N4 O2 P -","- C28 H29 Co F5.997 N4 O2 P0.9995 -","- C112 H116 Co4 F23.988 N16 O8 P3.998 -","4","2","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0469","0.0403","","","0.1069","0.112","","","","","","1.036","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552220","11.306","0.0002","13.5277","0.0002","18.5746","0.0003","90","","92.55","0.001","90","","2838.06","0.08","130","0.1","130","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(3,4,5,6-tetrabromocatecholato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II):zinc(II)","","- C27 H24 Br4 Co0.06 N4 O2 Zn0.94 -","- C27 H24 Br4 Co0.061 N4 O2 Zn0.939 -","- C108 H96 Br16 Co0.244 N16 O8 Zn3.756 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0255","0.0237","","","0.0622","0.0634","","","","","","1.067","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552221","9.7975","0.0002","13.688","0.0002","13.4124","0.0003","90","","108.897","0.002","90","","1701.77","0.06","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate toluene solvate","","- C35 H37 Co F6 N4 O2 P -","- C35 H37 Co F6 N4 O2 P -","- C70 H74 Co2 F12 N8 O4 P2 -","2","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0298","0.0291","","","0.0764","0.0771","","","","","","1.037","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552222","11.57434","0.00004","31.75314","0.0001","22.05467","0.00007","90","","94.1148","0.0003","90","","8084.67","0.05","99.99","0.13","99.99","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,5-di-tert-butyl-catecholato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate toluene solvate","","- C42 H52 Co F6 N4 O2 P -","- C42 H52 Co F6 N4 O2 P -","- C336 H416 Co8 F48 N32 O16 P8 -","8","2","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0438","0.0424","","","0.1157","0.1167","","","","","","1.052","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552224","14.0842","0.0005","6.3205","0.0002","42.4385","0.0015","90","","92.56","0.003","90","","3774.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F5 N2 O -","- C22 H15 F5 N2 O -","- C176 H120 F40 N16 O8 -","8","2","","Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan","Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets","Chemical Science","2019","","","","","10.1039/C9SC03111A","","x-ray","1.54184","CuKα","","0.0669","0.0503","","","0.1268","0.141","","","","","","1.012","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1552225","19.5027","0.0009","5.9539","0.0003","20.2366","0.0009","90","","111.013","0.005","90","","2193.55","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 F5 N3 -","- C25 H22 F5 N3 -","- C100 H88 F20 N12 -","4","1","","Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan","Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets","Chemical Science","2019","","","","","10.1039/C9SC03111A","","x-ray","1.54184","CuKα","","0.0925","0.07","","","0.2284","0.2659","","","","","","1.054","","","","has coordinates","217532","2020-10-21","18:00:00",""
"1552226","11.1225","0.0004","12.8307","0.0005","13.8928","0.0005","100.865","0.003","91.711","0.003","103.357","0.003","1888.83","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 F5 N2 -","- C22 H15 F5 N2 -","- C88 H60 F20 N8 -","4","2","","Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan","Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets","Chemical Science","2019","","","","","10.1039/C9SC03111A","","x-ray","1.54184","CuKα","","0.0725","0.0614","","","0.1672","0.1799","","","","","","1.045","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1552227","13.36","0.03","13.86","0.03","15.84","0.03","88.34","0.03","84.94","0.03","87.51","0.03","2918","11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H62 Cl6 Cu3 N6 O8 S2 -","- C54 H62 Cl6 Cu3 N6 O8 S2 -","- C108 H124 Cl12 Cu6 N12 O16 S4 -","2","1","","Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu","Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity","Chemical Science","2019","","","","","10.1039/C9SC03338F","","","0.71073","MoKα","","0.189","0.0944","","","0.1395","0.1664","","","","","","1.071","","","","has coordinates","217533","2020-10-21","18:00:00",""
"1552228","9.163","0.003","12.719","0.004","13.205","0.005","65.072","0.009","87.457","0.008","73.991","0.007","1336.9","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H28 Cl2 Cu N2 O3 S -","- C27 H28 Cl2 Cu N2 O3 S -","- C54 H56 Cl4 Cu2 N4 O6 S2 -","2","1","","Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu","Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity","Chemical Science","2019","","","","","10.1039/C9SC03338F","","","0.71073","MoKα","","0.1812","0.105","","","0.1854","0.2068","","","","","","1.096","","","","has coordinates,has disorder","217533","2020-10-21","18:00:00",""
"1552229","9.1168","0.0014","13.355","0.003","16.904","0.003","90","","97.889","0.005","90","","2038.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl2 Cu N3 S -","- C20 H23 Cl2 Cu N3 S -","- C80 H92 Cl8 Cu4 N12 S4 -","4","1","","Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu","Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity","Chemical Science","2019","","","","","10.1039/C9SC03338F","","","0.71073","MoKα","","0.105","0.0549","","","0.1126","0.1404","","","","","","1.062","","","","has coordinates,has disorder","217533","2020-10-21","18:00:00",""
"1552230","9.4242","0.0003","23.7038","0.0009","13.4085","0.0004","90","","100.468","0.003","90","","2945.46","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 B2 Br2 -","- C38 H26 B2 Br2 -","- C152 H104 B8 Br8 -","4","1","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.0509","0.0427","","","0.0939","0.0976","","","","","","1.146","","","","has coordinates,has disorder","265221","2021-05-14","10:01:31",""
"1552231","24.03","0.005","3.8493","0.0006","10.627","0.003","90","","92.763","0.019","90","","981.8","0.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H18 B2 -","- C32 H18 B2 -","- C64 H36 B4 -","2","0.5","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.0855","0.0611","","","0.1262","0.1358","","","","","","1.036","","","","has coordinates","217546","2020-10-21","18:00:00",""
"1552232","14.113","0.004","14.98","0.005","16.668","0.005","103.27","0.03","101.8","0.02","108.84","0.02","3093.9","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H27 B2 N2 O -","- C43 H27 B2 N2 O -","- C172 H108 B8 N8 O4 -","4","2","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.3199","0.1174","","","0.2009","0.2919","","","","","","0.881","","","","has coordinates","217546","2020-10-21","18:00:00",""
"1552233","3.8376","0.0006","13.5325","0.0014","38.521","0.006","90","","93.02","0.012","90","","1997.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 B2 O -","- C32 H18 B2 O -","- C128 H72 B8 O4 -","4","1","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","1.54186","CuKα","","0.2342","0.1307","","","0.2252","0.272","","","","","","1.78","","","","has coordinates","217546","2020-10-21","18:00:00",""
"1552234","10.1254","0.0006","11.9749","0.0007","23.3063","0.0015","89.356","0.005","89.874","0.005","84.455","0.005","2812.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 B2 Br2 I2 -","- C32 H18 B2 Br2 I2 -","- C128 H72 B8 Br8 I8 -","4","2","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.0988","0.0567","","","0.1259","0.1424","","","","","","0.935","","","","has coordinates,has disorder","217546","2020-10-21","18:00:00",""
"1552235","31.6324","0.0014","11.8423","0.0007","25.7817","0.0012","90","","108.231","0.003","90","","9173","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H138 K2 N4 O12 Si9 Sn2 -","- C72 H138 K2 N4 O12 Si9 Sn2 -","- C288 H552 K8 N16 O48 Si36 Sn8 -","4","0.5","","Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F","Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon","Chemical Science","2019","","","","","10.1039/C9SC03324F","","","0.71073","MoKα","","0.0978","0.0444","","","0.0836","0.0997","","","","","","0.928","","","","has coordinates,has disorder","217547","2020-10-21","18:00:00",""
"1552236","16.4939","0.0009","25.3561","0.0017","22.6197","0.0012","90","","90.756","0.004","90","","9459.2","1","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C60 H131 F K2 N4 O12 Si17 -","- C60 H131 F K2 N4 O12 Si17 -","- C240 H524 F4 K8 N16 O48 Si68 -","4","2","","Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F","Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon","Chemical Science","2019","","","","","10.1039/C9SC03324F","","","0.71073","MoKα","","0.1411","0.0729","","","0.1606","0.188","","","","","","0.932","","","","has coordinates,has disorder","217547","2020-10-21","18:00:00",""
"1552240","6.7486","0.0002","10.2915","0.0003","11.4126","0.0004","90","","94.952","0.002","90","","789.68","0.04","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 S -","- C15 H16 N2 O6 S -","- C30 H32 N4 O12 S2 -","2","1","","Brown, Ronald W.; Zamani, Farzad; Gardiner, Michael G.; Yu, Haibo; Pyne, Stephen G.; Hyland, Christopher J. T.","Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones","Chemical Science","2019","","","","","10.1039/C9SC03215K","","","1.54178","CuKα","","0.0294","0.0281","","","0.0694","0.0703","","","","","","1.057","","","","has coordinates","217567","2020-10-21","18:00:00",""
"1552241","7.5533","0.0002","9.7486","0.0002","29.0797","0.0006","90","","90","","90","","2141.26","0.08","125","2","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O7 S -","- C22 H24 N2 O7 S -","- C88 H96 N8 O28 S4 -","4","1","","Brown, Ronald W.; Zamani, Farzad; Gardiner, Michael G.; Yu, Haibo; Pyne, Stephen G.; Hyland, Christopher J. T.","Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones","Chemical Science","2019","","","","","10.1039/C9SC03215K","","","1.54178","CuKα","","0.038","0.0367","","","0.0921","0.0931","","","","","","1.097","","","","has coordinates","217567","2020-10-21","18:00:00",""
"1552242","4.83","0.001","22.78","0.005","28.51","0.006","79.22","0.03","88.33","0.03","86.44","0.03","3075.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C125 H180 N4 O19 -","- C125 H180 N4 O19 -","- C125 H180 N4 O19 -","1","0.5","","Mulay, Sandip V.; Dishi, Or; Fang, Yuan; Niazi, Muhammad Rizwan; Shimon, Linda JW; Perepichka, Dmitrii; Gidron, Ori","A Macrocyclic Oligofuran: Synthesis, Solid State Structure and Electronic Properties","Chemical Science","2019","","","","","10.1039/C9SC03247A","","","0.8","synchrotron","","0.1301","0.097","","","0.2789","0.3072","","","","","","1.133","","","","has coordinates,has disorder","217594","2020-10-21","18:00:00",""
"1552243","8.156","0.003","10.264","0.004","16.438","0.006","90","","96.319","0.008","90","","1367.7","0.9","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Mu, Qiu-Chao; Nie, Yi-Xue; Bai, Xing-Feng; Chen, Jing; Yang, Lei; Xu, Zheng; Li, Li; Xia, Chungu; Xu, Li-Wen","Tertiary amine-directed and involved carbonylative cyclizations through Pd/Cu-cocatalyzed multiple C‒X (X = H or N) bond cleavage","Chemical Science","2019","","","","","10.1039/C9SC03081F","","x-ray","0.71073","MoKα","","0.1011","0.0531","","","0.1246","0.1509","","","","","","1.009","","","","has coordinates","217595","2020-10-21","18:00:00",""
"1552244","13.6605","0.0002","18.5231","0.0003","14.7583","0.0002","90","","97.9128","0.0005","90","","3698.81","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 Au B2 P2 -","- C42 H51 Au B2 P2 -","- C168 H204 Au4 B8 P8 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0203","0.0161","","","0.0373","0.0386","","","","","","1.035","","","","has coordinates","217596","2020-10-21","18:00:00",""
"1552245","10.735","0.0004","19.4697","0.0006","16.9388","0.0006","90","","107.561","0.0005","90","","3375.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Au B2 O2 P2 -","- C37 H45 Au B2 O2 P2 -","- C148 H180 Au4 B8 O8 P8 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0176","0.0149","","","0.0353","0.0362","","","","","","1.049","","","","has coordinates","217596","2020-10-21","18:00:00",""
"1552246","9.4884","0.0003","16.6011","0.0005","18.4187","0.0005","82.1272","0.0005","83.3368","0.0005","81.827","0.0005","2830.91","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Au B2 K O10 P2 -","- C56 H76 Au B2 K O10 P2 -","- C112 H152 Au2 B4 K2 O20 P4 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0221","0.0191","","","0.0427","0.0439","","","","","","1.036","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552247","17.3226","0.0005","14.075","0.0004","18.5251","0.0005","90","","108.273","0.0005","90","","4289","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H128.5 Au2 B4 K2 O4 P4 -","- C88 H128.504 Au2 B4 K2 O4 P4 -","- C176 H257.008 Au4 B8 K4 O8 P8 -","2","0.5","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0326","0.0211","","","0.0398","0.0429","","","","","","1.06","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552248","17.085","0.003","17.761","0.003","18.264","0.003","91.133","0.002","91.253","0.002","90.383","0.002","5539.6","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H74 Au B2 K O9 P2 -","- C55 H74 Au B2 K O9 P2 -","- C220 H296 Au4 B8 K4 O36 P8 -","4","2","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0677","0.0464","","","0.0972","0.1063","","","","","","1.036","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552249","20.6988","0.0005","22.0547","0.0005","19.2806","0.0005","90","","92.3184","0.0005","90","","8794.5","0.4","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H65 Au B2 O P2 Si -","- C45 H65 Au B2 O P2 Si -","- C360 H520 Au8 B16 O8 P16 Si8 -","8","2","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0286","0.0222","","","0.0498","0.0519","","","","","","1.023","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552250","18.3331","0.0003","14.0402","0.0002","20.1069","0.0003","90","","107.894","0.002","90","","4925.17","0.14","291","2","291","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C240 H192 Cl8 N8 O16 -","8","1","","Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng","Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides","Chemical Science","2019","","","","","10.1039/C9SC02806D","","","1.54184","CuKα","","0.0607","0.0542","","","0.1569","0.1635","","","","","","1.055","","","","has coordinates","217623","2020-10-21","18:00:00",""
"1552251","5.9409","0.0002","10.8429","0.0002","32.9352","0.0005","90","","90","","90","","2121.57","0.09","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 F N O2 -","- C28 H20 F N O2 -","- C112 H80 F4 N4 O8 -","4","1","","Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng","Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides","Chemical Science","2019","","","","","10.1039/C9SC02806D","","","1.54184","CuKα","","0.0457","0.0438","","","0.1031","0.1041","","","","","","1.02","","","","has coordinates","217623","2020-10-21","18:00:00",""
"1552252","13.4206","0.0009","13.4206","0.0009","35.17","0.003","90","","90","","90","","6334.6","0.8","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C63 H65 B F24 Ir N P2 -","- C63 H65 B F24 Ir N P2 -","- C252 H260 B4 F96 Ir4 N4 P8 -","4","0.5","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.54178","CuKα","","0.0727","0.0564","","0.1381","0.132","0.1381","","","","","","0.9586","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552253","13.4887","0.0004","13.4887","0.0004","34.6571","0.0012","90","","90","","90","","6305.7","0.3","100","","100","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C61 H60 B F24 Ir N P2 -","- C61 H60 B F24 Ir N P2 -","- C244 H240 B4 F96 Ir4 N4 P8 -","4","0.5","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.5418","CuKα","","0.033","0.0307","","0.0729","0.0713","0.0729","","","","","","0.992","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552254","13.3252","0.0003","13.3891","0.0003","37.2399","0.0009","90","","90","","90","","6644.1","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H65 B F24 Ir N P2 -","- C67 H65 B F24 Ir N P2 -","- C268 H260 B4 F96 Ir4 N4 P8 -","4","1","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.5418","CuKα","","0.0451","0.0424","","0.1021","0.1003","0.1021","","","","","","0.9984","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552255","8.5051","0.0016","38.523","0.006","14.211","0.002","90","","100.466","0.006","90","","4578.7","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 F12 Fe N6 O5 S Sb2 -","- C36 H57 F12 Fe N6 O5 S Sb2 -","- C144 H228 F48 Fe4 N24 O20 S4 Sb8 -","4","1","","Sabenya, Gerard; Gamba, Ilaria; Gomez, Laura; Clémancey, Martin; Frisch, Jonathan; Klinker, Erik; Blondin, Geneviève; Torelli, Stephane; Que, Lawrence; Martin-Diaconescu, Vlad; Latour, Jean-Marc; Lloret Fillol, Julio; Costas, Miquel","Octahedral Iron (IV)-Tosylimido Complexes Exhibiting Single Electron-Oxidation Reactivity","Chemical Science","2019","","","","","10.1039/C9SC02526J","","","0.71073","MoKα","","0.0781","0.0489","","","0.0915","0.1015","","","","","","1.016","","","","has coordinates,has disorder","217625","2020-10-21","18:00:00",""
"1552256","38.656","0.004","18.5689","0.0019","22.026","0.002","90","","115.432","0.003","90","","14278","2","104","2","104","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C238.88 H234 F48 N19.29 Na4 O87.2 S2 -","- C238.876 H234 F48 N19.288 Na4 O87.2 S2 -","- C477.752 H468 F96 N38.576 Na8 O174.4 S4 -","2","0.5","","Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan","Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate","Chemical Science","2019","","","","","10.1039/C9SC02923K","","","0.71073","MoKα","","0.1639","0.0934","","","0.2267","0.2684","","","","","","1.437","","","","has coordinates,has disorder","217641","2020-10-21","18:00:00",""
"1552257","21.627","0.004","15.667","0.003","8.4646","0.0018","90","","100.217","0.006","90","","2822.6","1","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F6 N2 O9 -","- C28 H30 F6 N2 O9 -","- C112 H120 F24 N8 O36 -","4","1","","Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan","Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate","Chemical Science","2019","","","","","10.1039/C9SC02923K","","","0.71073","MoKα","","0.0596","0.0429","","","0.0962","0.1026","","","","","","1.031","","","","has coordinates,has disorder","217641","2020-10-21","18:00:00",""
"1552258","11.6762","0.0005","14.1244","0.0007","20.872","0.001","100.775","0.0016","91.7229","0.0017","99.9343","0.0017","3323.9","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.59 H61.07 F12 K2 N6.71 O22.3 -","- C58.593 H61.068 F12.003 K2 N6.706 O22.295 -","- C117.186 H122.136 F24.006 K4 N13.412 O44.59 -","2","1","","Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan","Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate","Chemical Science","2019","","","","","10.1039/C9SC02923K","","","0.71073","MoKα","","0.0441","0.0363","","","0.0849","0.0901","","","","","","1.032","","","","has coordinates,has disorder","217641","2020-10-21","18:00:00",""
"1552263","9.5956","0.0003","9.7344","0.0004","10.4231","0.0004","90","","93.158","0.003","90","","972.12","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-(4-(Hydroxymethyl)-4,5-dihydrooxazol-2-yl)phenyl)diphenylphosphine oxide","","- C22 H20 N O3 P -","- C22 H20 N O3 P -","- C44 H40 N2 O6 P2 -","2","1","","Huang, Hai; Yang, Wen; Zhang, Zuliang; Lai, Zengwei; Sun, Jianwei","A Mild Catalytic Synthesis of 2-Oxazolines via Oxetane Ring-Opening: Rapid Access to A Diverse Family of Natural Products","Chemical Science","2019","","","","","10.1039/C9SC03843D","","x-ray","1.54184","CuKα","","0.0366","0.0327","","","0.0757","0.077","","","","","","1.002","","","","has coordinates","217732","2020-10-21","18:00:00",""
"1552264","12.1435","0.0003","10.3089","0.0002","8.5206","0.0002","90","","106.293","0.003","90","","1023.82","0.04","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","(2,2'-(propane-2,2-diyl)bis(4,5-dihydrooxazole-4,2-diyl))dimethanol","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","0.5","","Huang, Hai; Yang, Wen; Zhang, Zuliang; Lai, Zengwei; Sun, Jianwei","A Mild Catalytic Synthesis of 2-Oxazolines via Oxetane Ring-Opening: Rapid Access to A Diverse Family of Natural Products","Chemical Science","2019","","","","","10.1039/C9SC03843D","","x-ray","1.54184","CuKα","","0.0233","0.023","","","0.061","0.0612","","","","","","1.026","","","","has coordinates","217732","2020-10-21","18:00:00",""
"1552265","7.9935","0.0012","17.041","0.003","17.626","0.003","93.882","0.004","98.155","0.003","92.157","0.004","2368.5","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Marek144b (Veeru)","","","- C26 H36 O Si -","- C26 H36 O Si -","- C104 H144 O4 Si4 -","4","2","","Marek, Ilan; Lanke, Veeranjaneyulu; Zhang, Fa-Guang; Kaushansky, Alexander","Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via Intramolecular Friedel‒Crafts Alkylation","Chemical Science","2019","","","","","10.1039/C9SC03832A","","","0.71073","MoKα","","0.0725","0.045","","","0.1052","0.115","","","","","","0.941","","","","has coordinates","217763","2020-10-21","18:00:00",""
"1552266","13.3821","0.0015","12.1651","0.0012","16.6919","0.0018","90","","102.127","0.003","90","","2656.7","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 F O2 Si -","- C27 H37 F O2 Si -","- C108 H148 F4 O8 Si4 -","4","1","","Marek, Ilan; Lanke, Veeranjaneyulu; Zhang, Fa-Guang; Kaushansky, Alexander","Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via Intramolecular Friedel‒Crafts Alkylation","Chemical Science","2019","","","","","10.1039/C9SC03832A","","","0.71073","MoKα","","0.155","0.0721","","","0.1595","0.1988","","","","","","0.972","","","","has coordinates","217763","2020-10-21","18:00:00",""
"1552271","10.782","0.003","12.62","0.003","11.033","0.003","90","","106.298","0.007","90","","1440.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 I2 O2 -","- C12 H16 I2 O2 -","- C48 H64 I8 O8 -","4","1","","Herraiz, Ana G.; Suero, Marcos G.","A transition-metal-free & diazo-free styrene cyclopropanation","Chemical Science","2019","","","","","10.1039/C9SC02749A","","","0.71073","MoKα","","0.0413","0.0353","","","0.0884","0.0928","","","","","","1.071","","","","has coordinates","217801","2020-10-21","18:00:00",""
"1552272","5.1346","0.0001","14.3862","0.0003","23.4929","0.0006","90","","91.53","0.0009","90","","1734.74","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","borazatruxene","","","- C21 H18 B3 N3 -","- C21 H18 B3 N3 -","- C84 H72 B12 N12 -","4","1","","Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Borazatruxenes","Chemical Science","2019","","","","","10.1039/C9SC02489A","","","0.71073","MoKα","","0.1074","0.0525","","","0.1093","0.1289","","","","","","1.009","","","","has coordinates","217802","2020-10-21","18:00:00",""
"1552273","6.4509","0.0003","10.8604","0.0005","9.7158","0.0005","90","","99.032","0.004","90","","672.24","0.06","150","2","149.99","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 B N -","- C7 H10 B N -","- C28 H40 B4 N4 -","4","1","","Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Borazatruxenes","Chemical Science","2019","","","","","10.1039/C9SC02489A","","x-ray","0.71073","MoKα","","0.0572","0.0455","","","0.1116","0.1192","","","","","","1.048","","","","has coordinates","217802","2020-10-21","18:00:00",""
"1552274","20.4365","0.0005","20.4365","0.0005","8.654","0.0002","90","","90","","120","","3130.12","0.13","150","2","150.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H24 B3 N3 -","- C24 H24 B3 N3 -","- C144 H144 B18 N18 -","6","0.333333","","Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Borazatruxenes","Chemical Science","2019","","","","","10.1039/C9SC02489A","","x-ray","1.54184","CuKα","","0.0411","0.0366","","","0.0963","0.0995","","","","","","1.074","","","","has coordinates,has disorder","217802","2020-10-21","18:00:00",""
"1552283","25.1361","0.0006","5.0949","0.0001","30.6018","0.0009","90","","109.649","0.002","90","","3690.84","0.16","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 O6 S8 -","- C30 H36 O6 S8 -","- C120 H144 O24 S32 -","4","1","","Gaedke, Marius; Witte, Felix; Anhäuser, Jana; Hupatz, Henrik; Schröder, Hendrik V.; Valkonen, Arto; Rissanen, Kari; Lützen, Arne; Paulus, Beate; Schalley, Christoph A.","Chiroptical inversion of a planar chiral redox-switchable rotaxane","Chemical Science","2019","","","","","10.1039/C9SC03694F","","","0.71073","MoKα","","0.1606","0.0734","","","0.1436","0.177","","","","","","1.018","","","","has coordinates,has disorder","217988","2020-10-21","18:00:00",""
"1552284","12.3149","0.0004","40.4691","0.0004","12.3281","0.0002","90","","117.839","0.003","90","","5432.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H108 Cl4 N14 O22 Zn2 -","- C112 H108 Cl4 N14 O22 Zn2 -","- C224 H216 Cl8 N28 O44 Zn4 -","2","1","","Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter","Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways","Chemical Science","2019","","","","","10.1039/C9SC03532J","","x-ray","1.54178","CuKα","","0.0489","0.0464","","","0.1248","0.1276","","","","","","1.023","","","","has coordinates,has disorder","218024","2020-10-21","18:00:00",""
"1552285","19.4539","0.0005","23.9678","0.0009","30.5016","0.0015","90.746","0.003","99.035","0.003","90.078","0.002","14044.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C257 H223.5 Cl6 N26.5 O42 Zn4 -","- C257 H223.5 Cl6 N26.5 O42 Zn4 -","- C514 H447 Cl12 N53 O84 Zn8 -","2","1","","Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter","Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways","Chemical Science","2019","","","","","10.1039/C9SC03532J","","x-ray","1.54178","CuKα","","0.1901","0.1034","","","0.246","0.3181","","","","","","0.927","","","","has coordinates,has disorder","218024","2020-10-21","18:00:00",""
"1552286","38.9929","0.0005","22.5983","0.0002","36.9118","0.0006","90","","104.464","0.001","90","","31494.8","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C137.5 H129.25 Cl4 N17.75 O23 S3 Zn2 -","- C137.5 H129.25 Cl4 N17.75 O23 S3 Zn2 -","- C1100 H1034 Cl32 N142 O184 S24 Zn16 -","8","1","","Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter","Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways","Chemical Science","2019","","","","","10.1039/C9SC03532J","","x-ray","1.54178","CuKα","","0.1052","0.0892","","","0.2612","0.28","","","","","","1.013","","","","has coordinates,has disorder","218024","2020-10-21","18:00:00",""
"1552287","10.7494","0.0011","16.2516","0.0015","18.7137","0.0018","90","","90","","90","","3269.2","0.5","298","2","298","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C18 H10 N O4 Zn -","- C18 H10 N O4 Zn -","- C144 H80 N8 O32 Zn8 -","8","0.25","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0903","0.0719","","","0.1782","0.1945","","","","","","1.076","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552288","10.7054","0.0007","16.2225","0.0011","18.7784","0.0012","90","","90","","90","","3261.2","0.4","298","2","298","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C18 H10 N O4 Zn -","- C17.5 H10 N O4 Zn -","- C140 H80 N8 O32 Zn8 -","8","0.25","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0931","0.0713","","","0.1882","0.207","","","","","","1.06","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552289","16.556","0.008","14.296","0.007","16.325","0.008","90","","97.679","0.012","90","","3829","3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 N O6 Zn -","- C19 H12 N O6 Zn -","- C152 H96 N8 O48 Zn8 -","8","1","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.182","0.1048","","","0.2707","0.3259","","","","","","1.032","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552290","10.899","0.003","16.264","0.005","10.897","0.003","90","","104.332","0.007","90","","1871.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37 H24 N2 O10 Zn2 -","- C37 H24 N2 O10 Zn2 -","- C74 H48 N4 O20 Zn4 -","2","0.5","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0756","0.0484","","","0.117","0.1331","","","","","","1.041","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552291","9.9365","0.0003","10.4295","0.0003","18.8256","0.0005","94.895","0.002","96.163","0.002","115.854","0.003","1726.38","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 Cl2 I N4 S -","- C39 H31 Cl2 I N4 S -","- C78 H62 Cl4 I2 N8 S2 -","2","1","","Wang, Kang-Nan; Cao, Qian; Liu, Liu-Yi; Zhao, Zi-Jian; Liu, Wen-Ting; Zhou, Dan-Jie; Tan, Caiping; Xia, Wei; Ji, Liangnian; Mao, Zong-Wan","Charge-Driven Tripod Somersault on DNA for Ratiometric Fluorescence Imaging of Small Molecules in Nucleus","Chemical Science","2019","","","","","10.1039/C9SC03594J","","","1.54178","CuKα","","0.1033","0.0936","","","0.2586","0.2763","","","","","","1.054","","","","has coordinates","218053","2020-10-21","18:00:00",""
"1552302","49.115","0.01","15.305","0.003","28.157","0.005","90","","112.054","0.01","90","","19617","7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H126 Cu15 N O3 -","- C84 H72 Cu15 N O3 -","- C672 H576 Cu120 N8 O24 -","8","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.1982","0.0801","","","0.2028","0.2704","","","","","","1","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552303","10.1593","0.0008","10.295","0.0009","16.7352","0.0013","83.426","0.002","87.127","0.002","71.045","0.002","1644.4","0.2","296","2","296.46","","","","","","","","","3","P -1","-P 1","2","","","","- H18 O34 V10 -","- H36 O40 V10 -","- H72 O80 V20 -","2","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.0394","0.0346","","","0.1013","0.1049","","","","","","1.207","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552304","18.68","0.002","14.6314","0.0017","31.316","0.004","90","","104.937","0.003","90","","8269.9","1.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H204 Cu28 O10 S2 -","- C134 H96 Cu28 O10 S2 -","- C268 H192 Cu56 O20 S4 -","2","0.5","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.167","0.0761","","","0.1828","0.2144","","","","","","1.037","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552305","19.9192","0.0017","20.0207","0.0017","32.564","0.003","90.482","0.002","101.813","0.002","116.372","0.002","11315.2","1.7","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C180 H289 B3 Cl4 Cu47 F12 O22 P2 V2 -","- C180 H253.235 B3 Cl4 Cu47 F12 O22 P2 V2 -","- C360 H506.47 B6 Cl8 Cu94 F24 O44 P4 V4 -","2","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.0934","0.0681","","","0.1683","0.192","","","","","","1.115","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552306","11.9726","0.0015","7.5977","0.001","7.4217","0.0009","90","","97.625","0.004","90","","669.14","0.15","296","2","296.54","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 Cu O4 P -","- C3 H7 Cu O4 P -","- C12 H28 Cu4 O16 P4 -","4","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.1189","0.1177","","","0.3083","0.3087","","","","","","1.21","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552307","56.4611","0.0018","19.3733","0.0007","38.1762","0.0013","90","","96.377","0.002","90","","41500","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C165 H231 Cl4 Cu48 O22 -","- C165 H214 Cl4 Cu48 O21 -","- C1320 H1712 Cl32 Cu384 O168 -","8","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.1081","0.061","","","0.1734","0.1936","","","","","","1.074","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552308","10.0313","0.001","12.0323","0.0012","14.3201","0.0014","80.3583","0.001","74.2611","0.0011","79.409","0.0011","1622.6","0.3","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H56 Ba2 F12 N4 Ni2 O26 S4 -","- C50 H56 Ba2 F12 N4 Ni2 O26 S4 -","- C50 H56 Ba2 F12 N4 Ni2 O26 S4 -","1","0.5","","Kang, Kevin; Fuller, Jack; Reath, Alexander H.; Ziller, Joseph W.; Alexandrova, Anastassia; Yang, Jenny Y.","Installation of Internal Electric Fields by Non-Redox Active Cations in Transition Metal Complexes","Chemical Science","2019","","","","","10.1039/C9SC02870F","","","0.71073","MoKα","","0.0228","0.0219","","","0.0589","0.0594","","","","","","1.054","","","","has coordinates","218105","2020-10-21","18:00:00",""
"1552309","9.1543","0.0008","16.514","0.002","16.9255","0.0016","90","","101.501","0.002","90","","2507.3","0.4","88","2","88","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 F3 N2 Na Ni O9 S -","- C23 H24 F3 N2 Na Ni O9 S -","- C92 H96 F12 N8 Na4 Ni4 O36 S4 -","4","1","","Kang, Kevin; Fuller, Jack; Reath, Alexander H.; Ziller, Joseph W.; Alexandrova, Anastassia; Yang, Jenny Y.","Installation of Internal Electric Fields by Non-Redox Active Cations in Transition Metal Complexes","Chemical Science","2019","","","","","10.1039/C9SC02870F","","","0.71073","MoKα","","0.0255","0.0233","","","0.0586","0.0599","","","","","","1.046","","","","has coordinates","218105","2020-10-21","18:00:00",""
"1552311","5.8845","0.0001","13.8755","0.0002","21.6675","0.0003","90","","90","","90","","1769.16","0.05","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Cheng, Cang; Wan, Bin; Zhou, Bo; Gu, Yichao; Zhang, Yanghui","Enantioselective synthesis of quaternary 3,4-dihydroisoquinolinones via Heck carbonylation reactions: development and application to the synthesis of Minalrestat analogues","Chemical Science","2019","","","","","10.1039/C9SC03406D","","x-ray","1.54184","CuKα","","0.0291","0.028","","","0.0708","0.0715","","","","","","1.044","","","","has coordinates","218142","2020-10-21","18:00:00",""
"1552312","9.9885","0.0004","22.3509","0.0009","10.929","0.0004","90","","95.756","0.002","90","","2427.62","0.16","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Dimethyl-1,3-diphenyldisila-2oxa[3]nickelocenophane","","- C26.5 H24 Ni O Si2 -","- C26.5 H24 Ni O Si2 -","- C106 H96 Ni4 O4 Si8 -","4","1","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.0419","0.0324","","","0.0819","0.086","","","","","","1.046","","","","has coordinates,has disorder","218143","2020-10-21","18:00:00",""
"1552313","7.9016","0.0006","9.6856","0.0007","14.8574","0.0011","90","","101.465","0.005","90","","1114.37","0.14","100","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methyltricarba[3]nickelocenophane","","- C14 H16 Ni -","- C14 H16 Ni -","- C56 H64 Ni4 -","4","1","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.046","0.0269","","","0.0522","0.0575","","","","","","1.012","","","","has coordinates,has disorder","218143","2020-10-21","18:00:00",""
"1552314","8.3913","0.0002","11.3601","0.0003","15.8756","0.0004","90","","90","","90","","1513.36","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1,3,3-Tetramethyldisila-2-oxa[3]nickelocenophane","","- C14 H20 Ni O Si2 -","- C14 H20 Ni O Si2 -","- C56 H80 Ni4 O4 Si8 -","4","1","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.0258","0.0227","","","0.0507","0.0519","","","","","","1.015","","","","has coordinates","218143","2020-10-21","18:00:00",""
"1552315","10.1921","0.0017","10.2027","0.0014","10.3527","0.0016","83.268","0.01","83.418","0.012","62.359","0.01","944.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1,1?,2,2?-Bis(tetraisopropyldisiloxa)nickelocene","","- C34 H62 Ni O2 Si4 -","- C34 H62 Ni O2 Si4 -","- C34 H62 Ni O2 Si4 -","1","0.5","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.0983","0.0825","","","0.2284","0.2546","","","","","","1.073","","","","has coordinates","218143","2020-10-21","18:00:00",""
"1552319","11.1406","0.0004","14.7364","0.0006","36.651","0.0019","90","","95.557","0.004","90","","5988.8","0.5","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H18 F10 N3 O2 -","- C35 H18 F10 N3 O2 -","- C280 H144 F80 N24 O16 -","8","2","","Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long","Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability","Chemical Science","2019","","","","","10.1039/C9SC04044G","","x-ray","0.71073","MoKα","","0.1242","0.0634","","","0.1403","0.1699","","","","","","1.035","","","","has coordinates","218201","2020-10-21","18:00:00",""
"1552320","12.2124","0.0003","14.5258","0.0003","32.7959","0.0007","90","","90","","90","","5817.8","0.2","180","0.1","180","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32.5 H9.5 Cl1.5 F10 N3 O2 Pt -","- C32.5 H9.5 Cl1.5 F10 N3 O2 Pt -","- C260 H76 Cl12 F80 N24 O16 Pt8 -","8","2","","Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long","Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability","Chemical Science","2019","","","","","10.1039/C9SC04044G","","x-ray","0.71073","MoKα","","0.0525","0.0365","","","0.0885","0.0956","","","","","","1.026","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552321","10.6992","0.0004","15.7524","0.0006","16.7744","0.0008","100.088","0.003","97.914","0.003","90.165","0.003","2755.9","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H9 F10 N3 O2 Pd -","- C32 H9 F10 N3 O2 Pd -","- C128 H36 F40 N12 O8 Pd4 -","4","2","","Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long","Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability","Chemical Science","2019","","","","","10.1039/C9SC04044G","","x-ray","0.71073","MoKα","","0.0671","0.053","","","0.1419","0.1491","","","","","","1.082","","","","has coordinates","218201","2020-10-21","18:00:00",""
"1552322","9.6214","0.0003","10.8141","0.0003","15.9731","0.0005","76.964","0.003","79.006","0.003","64.023","0.003","1447.5","0.09","150.01","0.1","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 Br -","- C18 H15 Br -","- C72 H60 Br4 -","4","2","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0937","0.0921","","","0.229","0.2297","","","","","","1.086","","","","has coordinates","218236","2020-10-21","18:00:00",""
"1552323","10.9002","0.0003","20.0267","0.0004","7.6356","0.0001","90","","90","","90","","1666.81","0.06","293.8","0.17","293.8","0.17","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0579","0.0505","","","0.1504","0.1605","","","","","","1.027","","","","has coordinates,has disorder","218236","2020-10-21","18:00:00",""
"1552324","5.79782","0.00009","7.59133","0.00014","63.3743","0.0011","90","","90","","90","","2789.3","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C136 H120 Br8 O8 -","8","2","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0607","0.0603","","","0.1306","0.1307","","","","","","1.311","","","","has coordinates","218236","2020-10-21","18:00:00",""
"1552325","8.5944","0.0001","5.9312","0.0001","16.3498","0.0002","90","","104.547","0.001","90","","806.71","0.02","150.01","0.1","150.01","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C21 H20 -","- C21 H20 -","- C42 H40 -","2","1","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54178","CuKα","","0.0457","0.0451","","","0.1264","0.127","","","","","","1.074","","","","has coordinates,has disorder","218236","2020-10-21","18:00:00",""
"1552333","5.6055","0.0008","27.048","0.003","10.1964","0.0014","90","","105.96","","90","","1486.4","0.3","200","2","199.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C72 H52 Cl4 N8 O4 -","4","1","","Zhao, Haoqiang; Xu, Xin; Luo, Zhenli; Cao, Lei; Li, Bohan; Li, Huanrong; Xu, Lijin; Fan, Qinghua; Walsh, Patrick J.","Rhodium(i)-catalyzed C6-selective C‒H alkenylation and polyenylation of 2-pyridones with alkenyl and conjugated polyenyl carboxylic acids","Chemical Science","2019","","","","","10.1039/C9SC03672E","","","0.71073","MoKα","","0.1059","0.0535","","","0.1086","0.1274","","","","","","1.022","","","","has coordinates","218404","2020-10-21","18:00:00",""
"1552334","19.9284","0.0003","17.0513","0.0002","21.1049","0.0004","90","","114.818","0.002","90","","6509.2","0.2","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 B F20 N2 Si4 Sm -","- C60 H84 B F20 N2 Si4 Sm -","- C240 H336 B4 F80 N8 Si16 Sm4 -","4","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","1.54184","CuKα","","0.0405","0.0361","","","0.0919","0.0944","","","","","","1.052","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552335","15.8309","0.0004","13.1077","0.0003","22.5379","0.0006","90","","109.043","0.003","90","","4420.8","0.2","100","0.02","100","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 Cl N2 Si4 Tm -","- C36 H84 Cl N2 Si4 Tm -","- C144 H336 Cl4 N8 Si16 Tm4 -","4","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","0.71073","MoKα","","0.021","0.0185","","","0.0468","0.0476","","","","","","1.029","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552336","16.062","0.0003","25.9262","0.0006","16.7464","0.0003","90","","92.749","0.002","90","","6965.6","0.2","150","0.2","150","0.2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H86 B Cl2 F20 N2 Si4 Yb -","- C61 H86 B Cl2 F20 N2 Si4 Yb -","- C244 H344 B4 Cl8 F80 N8 Si16 Yb4 -","4","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","1.54184","CuKα","","0.1003","0.056","","","0.1146","0.1337","","","","","","1.007","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552337","16.3084","0.0003","16.802","0.0004","25.4751","0.0005","89.3578","0.0018","88.4783","0.0016","88.0167","0.0016","6973.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","[Tm(Ntt)2][BArF]","","- C61 H86 B Cl2 F20 N2 Si4 Tm -","- C61 H86 B Cl2 F20 N2 Si4 Tm -","- C244 H344 B4 Cl8 F80 N8 Si16 Tm4 -","4","2","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","0.71073","MoKα","","0.0377","0.0305","","","0.0678","0.0697","","","","","","1.049","","","","has coordinates,has disorder","218509","2020-10-21","18:00:00",""
"1552338","8.7293","0.0003","11.1712","0.0004","24.4919","0.0008","84.182","0.003","80.59","0.003","68.517","0.003","2190.3","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Yb(Ntt)2(F)]","","- C36 H84 F N2 Si4 Yb -","- C36 H84 F N2 Si4 Yb -","- C72 H168 F2 N4 Si8 Yb2 -","2","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","1.54184","CuKα","","0.0376","0.0355","","","0.0925","0.0937","","","","","","1.047","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552339","5.3689","0.0003","10.4011","0.0006","27.498","0.0015","90","","90","","90","","1535.56","0.15","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Yang, Jian; Ruan, Peiran; Yang, Wei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective carbene insertion into N‒H bond of benzophenone imine","Chemical Science","2019","","","","","10.1039/C9SC03354H","","","1.54178","CuKα","","0.0352","0.0342","","","0.086","0.0868","","","","","","1.087","","","","has coordinates","218510","2020-10-21","18:00:00",""
"1552340","11.3578","0.0002","16.004","0.0002","16.8541","0.0002","90","","90","","90","","3063.57","0.08","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O -","- C34 H46 N4 O -","- C136 H184 N16 O4 -","4","1","","Yang, Jian; Ruan, Peiran; Yang, Wei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective carbene insertion into N‒H bond of benzophenone imine","Chemical Science","2019","","","","","10.1039/C9SC03354H","","","1.54178","CuKα","","0.0433","0.0418","","","0.1071","0.1101","","","","","","1.058","","","","has coordinates","218510","2020-10-21","18:00:00",""
"1552343","9.4391","0.0006","23.9058","0.0013","12.7167","0.0008","90","","92.174","0.004","90","","2867.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N4 Ni -","- C32 H44 N4 Ni -","- C128 H176 N16 Ni4 -","4","1","","Smith, Sofia Marie; Planas, Oriol; Gomez, Laura; Rath, Nigam; Ribas, Xavi; Mirica, Liviu M.","Aerobic C‒C and C‒O Bond Formation Reactions Mediated by High-Valent Nickel Species","Chemical Science","2019","","","","","10.1039/C9SC03758F","","","0.71073","MoKα","","0.117","0.0603","","","0.1255","0.1477","","","","","","1.037","","","","has coordinates","218835","2020-10-21","18:00:00",""
"1552344","21.2777","0.0018","8.9357","0.0007","17.3493","0.0015","90","","112.115","0.004","90","","3056","0.4","143","2","143","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B F4 N4 Ni O2 S -","- C32 H36 B F4 N4 Ni O2 S -","- C128 H144 B4 F16 N16 Ni4 O8 S4 -","4","1","","Smith, Sofia Marie; Planas, Oriol; Gomez, Laura; Rath, Nigam; Ribas, Xavi; Mirica, Liviu M.","Aerobic C‒C and C‒O Bond Formation Reactions Mediated by High-Valent Nickel Species","Chemical Science","2019","","","","","10.1039/C9SC03758F","","","0.71073","MoKα","","0.1351","0.0598","","","0.1125","0.1415","","","","","","1.013","","","","has coordinates,has disorder","218835","2020-10-21","18:00:00",""
"1552345","13.565","0.0006","16.4096","0.0007","19.6099","0.001","90","","93.577","0.002","90","","4356.6","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 F6 N6 Ni O4 S2 Sb -","- C42 H46 F6 N6 Ni O4 S2 Sb -","- C168 H184 F24 N24 Ni4 O16 S8 Sb4 -","4","1","","Smith, Sofia Marie; Planas, Oriol; Gomez, Laura; Rath, Nigam; Ribas, Xavi; Mirica, Liviu M.","Aerobic C‒C and C‒O Bond Formation Reactions Mediated by High-Valent Nickel Species","Chemical Science","2019","","","","","10.1039/C9SC03758F","","","0.71073","MoKα","","0.0814","0.0489","","","0.1138","0.1262","","","","","","1.318","","","","has coordinates,has disorder","218835","2020-10-21","18:00:00",""
"1552346","13.1751","0.0007","14.2709","0.0008","28.3358","0.0016","90","","90","","90","","5327.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BS-A-122","","","- C20 H44 Cl3 N P2 W -","- C20 H44 Cl3 N P2 W -","- C160 H352 Cl24 N8 P16 W8 -","8","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0451","0.0291","","","0.0473","0.0507","","","","","","1.081","","","","has coordinates","218836","2020-10-21","18:00:00",""
"1552347","19.7515","0.0009","13.2485","0.0006","22.2689","0.001","90","","90","","90","","5827.3","0.5","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","BS-C-116","","","- C47 H94 Cl2 F3 N4 O3 P4 S W2 -","- C47 H94 Cl2 F3 N4 O3 P4 S W2 -","- C188 H376 Cl8 F12 N16 O12 P16 S4 W8 -","4","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0683","0.0513","","","0.0968","0.1029","","","","","","1.081","","","","has coordinates,has disorder","218836","2020-10-21","18:00:00",""
"1552348","35.4758","0.0014","14.6906","0.0006","24.6143","0.0017","90","","131.433","0.001","90","","9617.5","0.9","101","2","101","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","BS-C-103","","","- C100 H152 B2 Cl2 N4 O3 P4 W2 -","- C100 H152 B2 Cl2 N4 O3 P4 W2 -","- C400 H608 B8 Cl8 N16 O12 P16 W8 -","4","0.5","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0714","0.0373","","","0.0618","0.07","","","","","","1.018","","","","has coordinates,has disorder","218836","2020-10-21","18:00:00",""
"1552349","19.1996","0.0008","10.9562","0.0004","16.6152","0.0007","90","","99.585","0.002","90","","3446.3","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","BS-B-135","","","- C27 H51 Cl F3 N2 O3 P2 S W -","- C27 H51 Cl F3 N2 O3 P2 S W -","- C108 H204 Cl4 F12 N8 O12 P8 S4 W4 -","4","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0371","0.0261","","","0.047","0.0495","","","","","","1.058","","","","has coordinates","218836","2020-10-21","18:00:00",""
"1552350","23.0363","0.0008","9.8057","0.0003","23.3255","0.0008","90","","111.35","0.002","90","","4907.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BS-A-165","","","- C40 H88 Cl2 N4 P4 W2 -","- C40 H88 Cl2 N4 P4 W2 -","- C160 H352 Cl8 N16 P16 W8 -","4","0.5","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0473","0.0303","","","0.0482","0.0518","","","","","","1.089","","","","has coordinates,has disorder","218836","2020-10-21","18:00:00",""
"1552365","33.5643","0.0016","21.7048","0.0009","6.9605","0.0003","90","","90","","90","","5070.8","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H36 N4 O8 Pd -","- C52 H36 N4 O8 Pd -","- C208 H144 N16 O32 Pd4 -","4","0.5","","Li, Shuai; Mei, Hong-Min; Yao, Shi-Lin; Chen, Zhiyao; Lu, Yu-Lin; Zhang, Li; Su, Cheng-Yong","Well-Distributed Pt-Nanoparticles within Confined Coordination Interspaces of Self-Sensitized Porphyrin Metal-Organic Frameworks: Synergistic Effect Boosting Highly Efficient Photocatalytic Hydrogen Evolution Reaction","Chemical Science","2019","","","","","10.1039/C9SC01866B","","x-ray","1.54184","CuKα","","0.0932","0.072","","","0.1524","0.1663","","","","","","1.081","","","","has coordinates","218983","2020-10-21","18:00:00",""
"1552366","6.7708","0.0006","10.8979","0.001","19.414","0.002","90","","90","","90","","1432.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O -","- C18 H22 O -","- C72 H88 O4 -","4","1","","Wright, Austin C.; Stoltz, Brian M.","Enantioselective Construction of the Tricyclic Core of Curcusones A‒D via a Cross-electrophile Coupling Approach","Chemical Science","2019","","","","","10.1039/C9SC04127C","","","1.54178","CuKα","","0.0283","0.0282","","","0.0699","0.07","","","","","","1.059","","","","has coordinates","218984","2020-10-21","18:00:00",""
"1552373","13.016","0.0012","13.814","0.0012","13.8529","0.0013","84.326","0.002","81.663","0.002","73.928","0.002","2363.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 Al2 Cl3 F55 O6 Se -","- C24 Al2 Cl3 F55 O6 Se -","- C48 Al4 Cl6 F110 O12 Se2 -","2","1","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0467","0.039","","","0.1076","0.1126","","","","","","1.053","","","","has coordinates,has disorder","219136","2020-10-21","18:00:00",""
"1552374","9.6336","0.0002","10.4764","0.0003","16.8374","0.0004","81.433","0.002","73.486","0.001","63.371","0.001","1455.95","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 Al F36 O4 Tl -","- C16 Al F36 O4 Tl -","- C32 Al2 F72 O8 Tl2 -","2","2","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0325","0.0305","","","0.0725","0.0738","","","","","","1.028","","","","has coordinates,has disorder","219136","2020-10-21","18:00:00",""
"1552375","17.32","0.0012","14.8685","0.001","10.2605","0.0007","90","","90","","90","","2642.3","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 Al Cl3 F28 O3 Se -","- C12 Al Cl3 F28 O3 Se -","- C48 Al4 Cl12 F112 O12 Se4 -","4","1","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0336","0.0275","","","0.066","0.068","","","","","","1.054","","","","has coordinates","219136","2020-10-21","18:00:00",""
"1552376","16.5135","0.0007","31.9553","0.0016","19.1323","0.0009","90","","105.965","0.001","90","","9706.6","0.8","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 Al Cl3 F36 O4 Se -","- C15.996 Al Cl3 F35.994 O3.999 Se0.999 -","- C191.952 Al12 Cl36 F431.928 O47.988 Se11.988 -","12","6","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0611","0.0435","","","0.1051","0.1129","","","","","","1.006","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552377","12.994","0.0006","13.817","0.0007","13.8774","0.0007","84.132","0.002","73.214","0.002","81.787","0.002","2356","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 Al2 Cl3 F55 O6 S -","- C24 Al2 Cl3 F55 O6 S -","- C48 Al4 Cl6 F110 O12 S2 -","2","1","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0843","0.0644","","","0.1905","0.2102","","","","","","1.078","","","","has coordinates,has disorder","219136","2020-10-21","18:00:00",""
"1552378","11.6946","0.0005","15.9924","0.0006","15.5144","0.0006","90","","97.492","0.004","90","","2876.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 -","- C44 H26 -","- C176 H104 -","4","1","","Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis","The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching","Chemical Science","2019","","","","","10.1039/C9SC04096J","","x-ray","1.54184","CuKα","","0.0539","0.0439","","","0.1053","0.1124","","","","","","1.029","","","","has coordinates","219137","2020-10-21","18:00:00",""
"1552379","9.73779","0.00016","17.0425","0.0003","15.4561","0.0003","90","","91.0108","0.0014","90","","2564.64","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 -","- C40 H24 -","- C160 H96 -","4","1","","Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis","The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching","Chemical Science","2019","","","","","10.1039/C9SC04096J","","x-ray","1.54184","CuKα","","0.049","0.0421","","","0.1029","0.1076","","","","","","1.028","","","","has coordinates","288248","2023-12-12","12:55:26",""
"1552380","17.38224","0.00013","15.79468","0.00012","24.01834","0.00018","90","","92.2024","0.0007","90","","6589.29","0.09","104","7","104","7","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H28.5 Cl1.5 -","- C48.5 H28.5 Cl1.5 -","- C388 H228 Cl12 -","8","1","","Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis","The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching","Chemical Science","2019","","","","","10.1039/C9SC04096J","","x-ray","1.54184","CuKα","","0.0544","0.0531","","","0.1402","0.1415","","","","","","1.023","","","","has coordinates,has disorder","219137","2020-10-21","18:00:00",""
"1552381","8.0853","0.0008","11.1856","0.0011","17.2322","0.0018","72.301","0.004","84.951","0.005","71.569","0.004","1408.5","0.2","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H74 S4 Si2 -","- C58 H74 S4 Si2 -","- C58 H74 S4 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0872","0.0626","","","0.1701","0.1946","","","","","","1.047","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552382","10.8629","0.0008","16.5136","0.0013","16.6836","0.0012","95.59","0.004","108.781","0.003","91.268","0.004","2815.4","0.4","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H78 S2 Si2 -","- C62 H78 S2 Si2 -","- C124 H156 S4 Si4 -","2","1","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0941","0.0809","","","0.2279","0.2388","","","","","","1.064","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552383","10.1547","0.0004","10.3853","0.0004","14.1353","0.0006","78.723","0.002","82.09","0.002","69.285","0.002","1363.6","0.1","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.039","0.0376","","","0.1216","0.1232","","","","","","1.047","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552384","8.1244","0.0003","11.8274","0.0005","16.6285","0.0008","70.294","0.003","75.906","0.002","82.317","0.002","1456.65","0.11","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H74 S6 Si2 -","- C62 H74 S6 Si2 -","- C62 H74 S6 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.062","0.0506","","","0.1323","0.1418","","","","","","1.035","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552385","9.7823","0.0004","10.1996","0.0004","14.8851","0.0005","93.369","0.002","97.824","0.002","110.239","0.002","1371.52","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","0.71073","MoKα","","0.1169","0.0866","","","0.202","0.2206","","","","","","1.041","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552386","8.2288","0.0003","11.6608","0.0004","16.9929","0.0006","107.49","0.002","101.781","0.002","96.241","0.002","1496.93","0.1","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H82 S2 Si2 -","- C70 H82 S2 Si2 -","- C70 H82 S2 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0877","0.0688","","","0.1597","0.1708","","","","","","1.077","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552387","15.7004","0.0007","8.3084","0.0004","22.3888","0.001","90","","105.425","0.002","90","","2815.3","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 S10 Si2 -","- C54 H70 S10 Si2 -","- C108 H140 S20 Si4 -","2","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0398","0.0353","","","0.0924","0.096","","","","","","1.068","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552388","10.2642","0.0002","17.5914","0.0004","16.7475","0.0004","90","","91.721","0.001","90","","3022.59","0.12","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 S6 Si2 -","- C64 H78 S6 Si2 -","- C128 H156 S12 Si4 -","2","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0968","0.0667","","","0.1767","0.201","","","","","","1.043","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552389","15.5116","0.0002","13.167","0.0002","14.7344","0.0002","90","","116.841","0.001","90","","2685.15","0.07","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl I N4 O S Zn -","- C26 H20 Cl I N4 O S Zn -","- C104 H80 Cl4 I4 N16 O4 S4 Zn4 -","4","1","","Miller, Jessica J.; Blanchet, Anais; Orvain, Christophe; Nouchikian, Lucienne; Reviriot, Yasmin; Clarke, Ryan M.; Martelino, Diego; Wilson, Derek; Gaiddon, Christian; Storr, Tim","Bifunctional Ligand Design for Modulating Mutant p53 Aggregation in Cancer","Chemical Science","2019","","","","","10.1039/C9SC04151F","","","1.54178","CuKα","","0.0263","0.0246","","","0.0668","0.0691","","","","","","1.0497","","","","has coordinates","219139","2020-10-21","18:00:00",""
"1552390","13.2978","0.0007","14.2388","0.0007","15.8108","0.0009","101.656","0.002","99.123","0.003","99.532","0.002","2833.8","0.3","150","2","150.02","","","","","","","","","7","P -1","-P 1","2","","","","- C4 H3.23 Cl0.15 N0.62 O0.15 S0.15 Zn0.15 -","- C4 H3.23077 Cl0.153846 N0.615385 O0.153846 S0.153846 Zn0.153846 -","- C104 H84 Cl4 N16 O4 S4 Zn4 -","26","13","","Miller, Jessica J.; Blanchet, Anais; Orvain, Christophe; Nouchikian, Lucienne; Reviriot, Yasmin; Clarke, Ryan M.; Martelino, Diego; Wilson, Derek; Gaiddon, Christian; Storr, Tim","Bifunctional Ligand Design for Modulating Mutant p53 Aggregation in Cancer","Chemical Science","2019","","","","","10.1039/C9SC04151F","","","1.54178","CuKα","","0.0647","0.0616","","","0.1447","0.147","","","","","","1.08","","","","has coordinates","219139","2020-10-21","18:00:00",""
"1552391","16.1147","0.00019","12.70487","0.00014","22.6264","0.0002","90","","90","","90","","4632.42","0.09","140","0.1","140","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C208 H248 N8 O32 -","8","1","","Muriel, Bastian; Gagnebin, Alec; Waser, Jerome","Synthesis of Bicyclo[3.1.0]hexanes by (3+2) Annulation of Cyclopropenes with Aminocyclopropanes","Chemical Science","2019","","","","","10.1039/C9SC03790J","","x-ray","1.54184","CuKα","","0.0425","0.035","","","0.0891","0.0953","","","","","","1.022","","","","has coordinates","219170","2020-10-21","18:00:00",""
"1552404","5.1427","0.0006","7.2141","0.0009","27.595","0.003","90","","90","","90","","1023.8","0.2","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C7 H4 Cl F3 I N O S -","- C7 H4 Cl F3 I N O S -","- C28 H16 Cl4 F12 I4 N4 O4 S4 -","4","1","","Kalim, Jorna; Duhail, Thibaut; Le, Thanh-Nghi; Vanthuyne, Nicolas; Anselmi, Elsa; Togni, Antonio; Magnier, Emmanuel","Merging hypervalent iodine and sulfoximine chemistry: a new electrophilic trifluoromethylation reagent","Chemical Science","2019","","","","","10.1039/C9SC04289J","","x-ray","0.71073","MoKα","","0.0328","0.0321","","","0.069","0.0692","","","","","","1.201","","","","has coordinates","219227","2020-10-21","18:00:00",""
"1552405","7.1787","0.0013","10.1369","0.0018","15.408","0.003","90","","92.647","0.003","90","","1120","0.4","101","2","101.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F6 I N O S -","- C8 H4 F6 I N O S -","- C32 H16 F24 I4 N4 O4 S4 -","4","1","","Kalim, Jorna; Duhail, Thibaut; Le, Thanh-Nghi; Vanthuyne, Nicolas; Anselmi, Elsa; Togni, Antonio; Magnier, Emmanuel","Merging hypervalent iodine and sulfoximine chemistry: a new electrophilic trifluoromethylation reagent","Chemical Science","2019","","","","","10.1039/C9SC04289J","","x-ray","0.71073","MoKα","","0.0276","0.022","","","0.0415","0.0433","","","","","","1.052","","","","has coordinates","219227","2020-10-21","18:00:00",""
"1552406","21.1207","0.0006","8.493","0.0002","23.5701","0.0008","90","","108.991","0.003","90","","3997.8","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Mg2 N4 -","- C42 H50 Mg2 N4 -","- C168 H200 Mg8 N16 -","4","0.5","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","0.71073","MoKα","","0.0532","0.0457","","","0.1379","0.1436","","","","","","1.066","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552407","14.551","0.003","14.651","0.002","22.814","0.004","96.351","0.003","103.923","0.005","91.039","0.005","4686.7","1.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C133 H97 Mg2 N4 -","- C133 H97 Mg2 N4 -","- C266 H194 Mg4 N8 -","2","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1144","0.0643","","","0.1586","0.1857","","","","","","0.939","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552408","14.5468","0.0007","14.6808","0.0004","24.376","0.0007","80.2","0.002","79.333","0.003","88.952","0.003","5040.6","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C142 H106 Mg2 N4 -","- C142 H106 Mg2 N4 -","- C284 H212 Mg4 N8 -","2","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1132","0.1014","","","0.328","0.3364","","","","","","1.113","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552409","26.4392","0.0003","23.3427","0.0003","27.4336","0.0004","90","","93.4861","0.0012","90","","16899.7","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C210 H198 Mg6 N12 -","- C210 H198 Mg6 N12 -","- C840 H792 Mg24 N48 -","4","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1021","0.0831","","","0.2379","0.2503","","","","","","1.05","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552410","34.388","0.002","12.2868","0.0007","33.068","0.002","90","","104.897","0.006","90","","13502.2","1.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C176 H164 Mg4 N8 -","- C176 H164 Mg4 N8 -","- C704 H656 Mg16 N32 -","4","0.5","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.2673","0.1365","","","0.3731","0.4485","","","","","","1.26","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552411","17.141","0.0003","17.1631","0.0003","17.4199","0.0003","117.73","0.0016","94.6116","0.0013","100.436","0.0013","4380.62","0.15","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C228 H192 Mg6 N12 -","- C228 H192 Mg6 N12 -","- C228 H192 Mg6 N12 -","1","0.5","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54184","CuKα","","0.0534","0.0511","","","0.1438","0.1465","","","","","","1.02","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552412","18.2173","0.0008","30.2552","0.0011","33.8828","0.0013","90","","102.678","0.004","90","","18219.8","1.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C198 H174 Mg6 N12 -","- C198 H174 Mg6 N12 -","- C792 H696 Mg24 N48 -","4","2","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1505","0.0894","","","0.2212","0.2648","","","","","","0.954","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552413","15.8575","0.0005","20.1901","0.0004","25.5394","0.0008","90","","98.745","0.003","90","","8081.8","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C110 H66 Mg2 N4 -","- C110 H66 Mg2 N4 -","- C440 H264 Mg8 N16 -","4","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54184","CuKα","","0.1385","0.1192","","","0.331","0.3459","","","","","","1.027","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552414","18.1978","0.00019","33.3681","0.0004","30.8873","0.0004","90","","90.8983","0.001","90","","18753.3","0.4","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C240 H216 Mg6 N12 -","- C240 H216 Mg6 N12 -","- C960 H864 Mg24 N48 -","4","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.0596","0.0469","","","0.1224","0.1313","","","","","","1.017","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552415","12.50104","0.00004","9.28018","0.00003","30.05829","0.0001","90","","90.652","0.0003","90","","3486.89","0.02","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H23 N2 O2 P Se2 -","- C14 H23 N2 O2 P Se2 -","- C112 H184 N16 O16 P8 Se16 -","8","4","","Newton, Turner; Pluth, Michael D.","Development of a Hydrolysis-Based Small-Molecule Hydrogen Selenide (H2Se) Donor","Chemical Science","2019","","","","","10.1039/C9SC04616J","","x-ray","1.54184","CuKα","","0.0245","0.0241","","","0.063","0.0632","","","","","","1.036","","","","has coordinates","219302","2020-10-21","18:00:00",""
"1552416","17.83","0.02","10.25","0.013","16.89","0.02","90","","90","","90","","3087","6","180","","180","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H36 Cl F6 Ir O P2 -","- C29 H36 Cl F6 Ir O P2 -","- C116 H144 Cl4 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","0.71073","MoKα","","0.0775","0.048","","","0.1028","0.1161","","","","","","0.928","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552417","12.171","0.003","12.37","0.003","13.038","0.003","101.716","0.003","97.857","0.003","96.454","0.003","1884","0.8","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H41 Cl2 F6 Ir O P2 -","- C38 H41 Cl2 F6 Ir O P2 -","- C76 H82 Cl4 F12 Ir2 O2 P4 -","2","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","0.71073","MoKα","","0.0742","0.0588","","","0.1481","0.158","","","","","","1.021","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552418","12.9516","0.0003","13.5623","0.0004","21.4352","0.0006","90","","93.129","0.002","90","","3759.55","0.18","297","","297.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl3 F6 Ir O P2 -","- C34 H40 Cl3 F6 Ir O P2 -","- C136 H160 Cl12 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.1353","0.0882","","","0.2075","0.2485","","","","","","1.065","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552419","8.8879","0.0008","37.424","0.003","10.5294","0.0008","90","","94.48","0.006","90","","3491.6","0.5","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Cl F6 Ir O P2 -","- C37 H40 Cl F6 Ir O P2 -","- C148 H160 Cl4 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.1817","0.1047","","","0.2362","0.2856","","","","","","1.038","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552420","10.9699","0.0003","16.9662","0.0004","36.5183","0.0008","90","","90","","90","","6796.7","0.3","296","","297","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H39 F6 Ir O P2 -","- C37 H39 F6 Ir O P2 -","- C296 H312 F48 Ir8 O8 P16 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.055","0.0428","","","0.1022","0.1096","","","","","","1.019","","","","has coordinates,has disorder","219338","2020-10-21","18:00:00",""
"1552421","8.7814","0.0005","11.3836","0.0005","17.6844","0.0007","78.913","0.002","80.872","0.003","89.868","0.003","1712.11","0.14","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H39 F6 Ir O P2 -","- C37 H39 F6 Ir O P2 -","- C74 H78 F12 Ir2 O2 P4 -","2","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0722","0.0463","","","0.1111","0.1174","","","","","","1.028","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552422","11.1444","0.0003","24.2099","0.0006","39.1676","0.001","90","","90","","90","","10567.6","0.5","296","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H61 B Ir O P -","- C65 H61 B Ir O P -","- C520 H488 B8 Ir8 O8 P8 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0454","0.0428","","","0.1052","0.1073","","","","","","1.068","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552423","8.813","0.003","11.485","0.003","16.101","0.005","83.036","0.005","83.576","0.005","89.718","0.005","1607.5","0.9","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 F6 Ir O3 P2 -","- C31 H39 F6 Ir O3 P2 -","- C62 H78 F12 Ir2 O6 P4 -","2","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","0.71073","MoKα","","0.0793","0.0578","","","0.1407","0.1541","","","","","","0.989","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552424","15.264","0.006","16.108","0.007","18.77","0.007","90","","105.492","0.016","90","","4447","3","295","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 B Ir O P -","- C53 H55 B Ir O P -","- C212 H220 B4 Ir4 O4 P4 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0352","0.0304","","","0.0735","0.0768","","","","","","1.008","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552425","12.8922","0.0007","14.2764","0.0008","20.2321","0.0011","90","","101.528","0.004","90","","3648.7","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 F6 Ir O P2 -","- C37 H51 F6 Ir O P2 -","- C148 H204 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0477","0.0415","","","0.1046","0.109","","","","","","1.053","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552426","7.727","0.004","14.153","0.007","15.295","0.007","109.638","0.012","102.453","0.014","103.402","0.013","1451.7","1.3","277","2","277","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 N4 S2 Si2 -","- C66 H64 N4 S2 Si2 -","- C66 H64 N4 S2 Si2 -","1","0.5","","Ma , Yudong; Zhou, Yecheng; Jin, Jianqun; Wang , Wei; Liu, Xitong; Xu, Haixiao; Zhang, Jing; Huang, Wei","Pentacene derivative/DTTCNQ cocrystals: Alkyl-confined mixed heterojunctions with molecular alignment and transport property tuning","Chemical Science","2019","","","","","10.1039/C9SC04807C","","","0.71073","MoKα","","0.1261","0.099","","","0.287","0.3132","","","","","","1.079","","","","has coordinates,has disorder","219339","2020-10-21","18:00:00",""
"1552427","15.42","0.002","7.71","0.0011","21.64","0.003","90","","104.049","0.004","90","","2495.8","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H54 N4 S2 Si2 -","- C58 H54 N4 S2 Si2 -","- C116 H108 N8 S4 Si4 -","2","0.5","","Ma , Yudong; Zhou, Yecheng; Jin, Jianqun; Wang , Wei; Liu, Xitong; Xu, Haixiao; Zhang, Jing; Huang, Wei","Pentacene derivative/DTTCNQ cocrystals: Alkyl-confined mixed heterojunctions with molecular alignment and transport property tuning","Chemical Science","2019","","","","","10.1039/C9SC04807C","","","0.71073","MoKα","","0.1468","0.1044","","","0.2377","0.2558","","","","","","1.103","","","","has coordinates,has disorder","219339","2020-10-21","18:00:00",""
"1552428","9.3628","0.0006","9.3628","0.0003","4.2396","","90","","90","","120","","321.86","0.02","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Ca Pd2 -","- Al3 Ca Pd2 -","- Al9 Ca3 Pd6 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0098","0.0069","","","0.0186","0.02","","","","0.83","0.83","0.84","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552429","9.3353","0.0007","9.3353","0.0007","4.2266","0.0003","90","","90","","120","","318.99","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al9 Ca1.98 Pd6 Yb1.02 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0208","0.0165","","","0.0367","0.0376","","","","1.44","1.44","1.35","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552430","9.2802","0.0006","9.2802","0.0006","4.1956","0.0003","90","","90","","120","","312.92","0.04","140","","140","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0177","0.0166","","","0.0422","0.0427","","","","1.81","1.81","1.81","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552431","9.311","0.0008","9.311","0.0008","4.2108","0.0003","90","","90","","120","","316.15","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.315667 Pd2 Yb0.684333 -","- Al9 Ca0.947 Pd6 Yb2.053 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0193","0.016","","","0.0359","0.0366","","","","1.41","1.41","1.35","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552432","9.3098","0.0007","9.3098","0.0007","4.214","0.0003","90","","90","","120","","316.3","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al9 Ca0.948 Pd6 Yb2.052 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0124","0.0084","","","0.0206","0.0223","","","","0.84","0.84","0.85","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552433","9.3121","0.0007","9.3121","0.0007","4.2135","0.0003","90","","90","","120","","316.42","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.314 Pd2 Yb0.686 -","- Al3 Ca0.314667 Pd2 Yb0.685333 -","- Al9 Ca0.944 Pd6 Yb2.056 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0126","0.0109","","","0.0258","0.0266","","","","1.07","1.07","1.06","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552434","9.2802","0.0006","9.2802","0.0006","4.2222","0.0003","90","","90","","120","","314.91","0.04","90","","90","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0169","0.0157","","","0.036","0.0366","","","","1.53","1.53","1.54","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552435","9.3321","0.0007","9.3321","0.0007","4.2276","0.0003","90","","90","","120","","318.85","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.656 Pd2 Yb0.344 -","- Al3 Ca0.656333 Pd2 Yb0.343667 -","- Al9 Ca1.969 Pd6 Yb1.031 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0127","0.0096","","","0.0221","0.0234","","","","0.91","0.91","0.9","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552436","9.3376","0.0007","9.3376","0.0007","4.2276","0.0003","90","","90","","120","","319.22","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.658 Pd2 Yb0.342 -","- Al3 Ca0.658267 Pd2 Yb0.341733 -","- Al9 Ca1.9748 Pd6 Yb1.0252 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0111","0.0088","","","0.0222","0.0234","","","","0.92","0.92","0.92","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552437","9.333","0.0008","9.333","0.0008","4.2276","0.0003","90","","90","","120","","318.91","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.655 Pd2 Yb0.345 -","- Al3 Ca0.655333 Pd2 Yb0.344667 -","- Al9 Ca1.966 Pd6 Yb1.034 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0141","0.0097","","","0.0231","0.0247","","","","0.93","0.93","0.9","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552438","9.3122","0.0012","9.3122","0.0012","4.209","0.0005","90","","90","","120","","316.09","0.07","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al9 Ca0.945 Pd6 Yb2.055 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0129","0.0101","","","0.0221","0.0232","","","","0.89","0.89","0.88","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552439","9.2956","0.0007","9.2956","0.0007","4.2016","0.0003","90","","90","","120","","314.41","0.04","300","","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0176","0.0166","","","0.0383","0.0388","","","","1.62","1.62","1.61","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552440","9.4139","0.0001","9.4139","0.0001","5.1807","0.0001","90","","90","","120","","397.611","0.01","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- I6 Li2 Mg2 O18 -","- I6 Li2 Mg2 O18 -","- I6 Li2 Mg2 O18 -","1","0.166667","","Chen, Jin; Hu, Chun-Li; Mao, Fei Fei; Zhang, Xiao-Han; Yang, Bing-Ping; Mao, Jiang-Gao","LiMg(IO3)3: An excellent SHG material designed by single-site aliovalent substitution","Chemical Science","2019","","","","","10.1039/C9SC04832D","","","0.71073","MoKα","","0.0133","0.0127","","","0.0298","0.0301","","","","","","1.108","","","","has coordinates","219375","2020-10-21","18:00:00",""
"1552441","21.083","0.003","7.043","0.0009","23.465","0.003","90","","90","","90","","3484.3","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","TPHAP","","- C22 H13 N9 -","- C22 H13 N9 -","- C176 H104 N72 -","8","1","","Kim, Jaejun; Ohtsu, Hiroyoshi; Den, Taizen; Deekamwong, Krittanun; Muneta, Iriya; Kawano, Masaki","Control of anisotropy of redox-active molecule-based film leads to non-volatile resistive switching memory","Chemical Science","2019","","","","","10.1039/C9SC04213J","","x-ray","0.71073","MoKα","","0.1495","0.0666","","","0.1379","0.1886","","","","","","1.006","","","","has coordinates","219405","2020-10-21","18:00:00",""
"1552442","10.38","0.002","12.351","0.003","13.352","0.003","98.84","0.03","91.06","0.03","106.73","0.03","1616.3","0.7","100","","100.03","","","","","","","","","5","P -1","-P 1","2","","28a","","- C34 H44 N6 O3 Si -","- C34 H44 N6 O3 Si -","- C68 H88 N12 O6 Si2 -","2","1","","Lategahn, Jonas; Keul, Marina; Klövekorn, Philip; Tumbrink, Hannah L.; Niggenaber, Janina; Müller, Matthias P.; Hodson, Luke; Flaßhoff, Maren; Hardick, Julia; Grabe, Tobias; Engel, Julian; Schultz-Fademrecht, Carsten; Baumann, Matthias; Ketzer, Julia; Mühlenberg, Thomas; Hiller, Wolf; Günther, Georgia; Unger, Anke; Müller, Heiko; Heimsoeth, Alena; Golz, Christopher; Blank-Landeshammer, Bernhard; Kollipara, Laxmikanth; Zahedi, René P.; Strohmann, Carsten; Hengstler, Jan G.; van Otterlo, Willem A. L.; Bauer, Sebastian; Rauh, Daniel","Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S","Chemical Science","2019","","","","","10.1039/C9SC03445E","","","0.71073","MoKα","","0.107","0.0636","","","0.1444","0.1678","","","","","","1.028","","","","has coordinates,has disorder","219406","2020-10-21","18:00:00",""
"1552447","10.3786","0.0002","15.7209","0.0003","19.3197","0.0003","90","","100.668","0.0018","90","","3097.74","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br N2 -","- C34 H43 Br N2 -","- C136 H172 Br4 N8 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","","0.71073","MoKα","","0.051","0.0357","","","0.0815","0.0874","","","","","","1.043","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552448","10.5947","0.0008","16.2615","0.0008","17.8991","0.0013","90","","97.414","0.007","90","","3058","0.4","99.9","0.3","99.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 N2 P3 -","- C33 H39 N2 P3 -","- C132 H156 N8 P12 -","4","0.5","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","1.54184","CuKα","","0.061","0.0437","","","0.1184","0.1298","","","","","","1.068","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552449","11.1499","0.0005","17.6614","0.0008","19.2232","0.0006","90","","90","","90","","3785.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N2 P3 -","- C41 H49 N2 P3 -","- C164 H196 N8 P12 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","1.54184","CuKα","","0.0566","0.0509","","","0.1214","0.1253","","","","","","1.037","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552450","10.9413","0.0002","23.5902","0.0004","16.2953","0.0003","90","","96.991","0.002","90","","4174.67","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 Fe N2 O4 P3 -","- C44 H47 Fe N2 O4 P3 -","- C176 H188 Fe4 N8 O16 P12 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0482","0.0344","","","0.0756","0.0823","","","","","","1.044","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552451","10.83254","0.00014","24.9423","0.0003","16.03521","0.00018","90","","96.0125","0.0011","90","","4308.7","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H49 Fe N2 O4 P3 -","- C45 H49 Fe N2 O4 P3 -","- C180 H196 Fe4 N8 O16 P12 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0386","0.0311","","","0.0789","0.0827","","","","","","1.039","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552452","12.086","0.0002","13.1486","0.0002","16.935","0.0002","106.161","0.001","98.487","0.001","100.539","0.001","2484.48","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H56 N3 O5 P3 W -","- C50.5 H56 N3 O5 P3 W -","- C101 H112 N6 O10 P6 W2 -","2","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.1108","0.112","","","","","","1.078","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552453","10.855","0.0003","15.5962","0.0003","19.1059","0.0004","90","","102.358","0.002","90","","3159.62","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 N2 P3 -","- C34 H41 N2 P3 -","- C136 H164 N8 P12 -","4","0.5","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0521","0.0388","","","0.097","0.1052","","","","","","1.07","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552454","12.6802","0.0001","13.7259","0.0001","23.021","0.0002","93.562","0.001","101.027","0.001","98.039","0.001","3877.8","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Mo N2 O5 P3 -","- C38 H39 Mo N2 O5 P3 -","- C152 H156 Mo4 N8 O20 P12 -","4","2","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0356","0.0279","","","0.0619","0.0652","","","","","","1.055","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552456","8.97942","0.00005","10.9358","0.00006","27.051","0.00016","90","","90","","90","","2656.33","0.03","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N2 O5 -","- C31 H23 F3 N2 O5 -","- C124 H92 F12 N8 O20 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","","1.54184","CuKα","","0.0268","0.0267","","","0.0699","0.07","","","","","","1.067","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552457","19.7387","0.0004","13.4237","0.0003","9.3356","0.0002","90","","93.107","0.002","90","","2469.98","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C112 H104 F12 N12 O8 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0567","0.0525","","","0.1495","0.1525","","","","","","1.04","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552458","13.5575","0.0002","23.9425","0.0003","19.8418","0.0003","90","","93.584","0.002","90","","6428.06","0.16","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C280 H260 F30 N30 O20 -","10","5","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1046","0.1093","","","","","","0.998","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552459","8.408","0.0003","8.7414","0.0002","24.3551","0.0007","89.776","0.002","85.729","0.003","61.439","0.003","1566.82","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N5 P -","- C15 H18 N5 P -","- C60 H72 N20 P4 -","4","2","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0332","0.0325","","","0.0854","0.0859","","","","","","1.054","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552460","11.06652","0.00011","23.601","0.0003","10.85205","0.00011","90","","99.7411","0.001","90","","2793.48","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 N P3 -","- C29 H48 N P3 -","- C116 H192 N4 P12 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.03","0.0277","","","0.0673","0.0688","","","","","","1.039","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552461","10.9026","0.0004","12.5147","0.0003","14.0376","0.0004","74.779","0.003","67.319","0.003","84.62","0.002","1705.16","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H51 F3 N O3 P3 S -","- C31 H51 F3 N O3 P3 S -","- C62 H102 F6 N2 O6 P6 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0391","0.0365","","","0.0978","0.1003","","","","","","1.018","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552462","7.03718","0.00011","13.3782","0.0002","8.85308","0.00016","90","","98.7503","0.0016","90","","823.77","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H18 N5 P S -","- C17 H18 N5 P S -","- C34 H36 N10 P2 S2 -","2","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0304","0.0284","","","0.0732","0.0748","","","","","","1.111","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552463","7.9088","0.0003","11.2925","0.0004","14.4882","0.0006","73.202","0.003","86.167","0.003","72.923","0.003","1183.89","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H40 N P3 -","- C21 H40 N P3 -","- C42 H80 N2 P6 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0268","0.0265","","","0.0689","0.0692","","","","","","1.057","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552464","12.1473","0.0003","15.0565","0.0004","20.4248","0.0007","90","","102.677","0.003","90","","3644.55","0.19","99.97","0.13","99.97","0.13","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H102 Ag2 F6 N4 O6 P6 S2 -","- C64 H102 Ag2 F6 N4 O6 P6 S2 -","- C128 H204 Ag4 F12 N8 O12 P12 S4 -","2","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0466","0.0393","","","0.1003","0.1065","","","","","","1.026","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552465","12.3686","0.0003","13.7415","0.0003","13.9572","0.0003","113.879","0.002","109.229","0.002","93.1122","0.0018","1999.2","0.09","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C64 H104 Cl8 Cu2 F6 N2 O6 P6 S2 -","- C64 H104 Cl8 Cu2 F6 N2 O6 P6 S2 -","- C64 H104 Cl8 Cu2 F6 N2 O6 P6 S2 -","1","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0343","0.0323","","","0.082","0.0835","","","","","","1.063","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552466","8.88106","0.00006","19.32439","0.00015","14.68865","0.00011","90","","92.3033","0.0007","90","","2518.85","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N5 P5 -","- C25 H20 N5 P5 -","- C100 H80 N20 P20 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0265","0.0258","","","0.0671","0.0677","","","","","","1.038","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552467","10.85215","0.00011","17.65905","0.00019","19.63512","0.00016","102.476","0.0008","101.644","0.0008","98.8895","0.0009","3520.32","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C65.93 H113.69 Br2 Cu2 N2 O0.82 P6 -","- C65.923 H113.692 Br2 Cu2 N2 O0.827 P6 -","- C131.846 H227.384 Br4 Cu4 N4 O1.654 P12 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0399","0.0353","","","0.0933","0.097","","","","","","1.025","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552468","10.16325","0.0001","25.899","0.0002","26.5556","0.0003","90","","99.3487","0.001","90","","6897.07","0.12","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H108 Cu F3 N2 O3 P6 S -","- C64 H108 Cu F3 N2 O3 P6 S -","- C256 H432 Cu4 F12 N8 O12 P24 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0546","0.0529","","","0.13","0.1311","","","","","","1.122","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552469","10.2485","0.0003","12.3713","0.0003","15.6969","0.0004","112.462","0.002","90.355","0.002","99.439","0.002","1809.1","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H21 Cl N5 P5 S5 -","- C35.5 H21 Cl N5 P5 S5 -","- C71 H42 Cl2 N10 P10 S10 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.035","0.0333","","","0.0869","0.0883","","","","","","1.025","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552470","13.8365","0.0001","21.99929","0.00012","13.99782","0.0001","90","","109.465","0.0008","90","","4017.32","0.05","99.97","0.12","99.97","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 F6 N O6 P3 S2 -","- C33 H54 F6 N O6 P3 S2 -","- C132 H216 F24 N4 O24 P12 S8 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0322","0.0313","","","0.0832","0.0838","","","","","","1.027","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552471","7.2241","0.0005","9.0577","0.0007","10.9162","0.0008","95.055","0.003","99.126","0.003","109.45","0.003","657.34","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 F3 N2 O3 P S -","- C11 H8 F3 N2 O3 P S -","- C22 H16 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","","0.71073","MoKα","","0.0406","0.034","","","0.0875","0.0915","","","","","","1.044","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552472","26.5691","0.0004","10.80809","0.00017","5.9932","0.0001","90","","90","","90","","1721.01","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N P3 -","- C19 H18 N P3 -","- C76 H72 N4 P12 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0479","0.0479","","","0.1291","0.1291","","","","","","1.116","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552473","9.5582","0.0007","9.6936","0.0008","11.8527","0.0008","87.895","0.006","80.107","0.006","86.923","0.006","1079.88","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 N2 O6 P4 S2 -","- C38 H58 F6 N2 O6 P4 S2 -","- C38 H58 F6 N2 O6 P4 S2 -","1","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.081","0.07","","","0.1808","0.1893","","","","","","0.998","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552474","12.4338","0.0004","12.5077","0.0003","13.0479","0.0004","114.387","0.003","96.369","0.002","116.073","0.003","1550.4","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H50 F3 O3 P3 S -","- C27 H50 F3 O3 P3 S -","- C54 H100 F6 O6 P6 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0312","0.0281","","","0.0704","0.0729","","","","","","1.035","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552475","16.0052","0.0002","17.2802","0.0002","23.3958","0.0003","104.863","0.0012","100.601","0.0012","90.2605","0.0012","6138.29","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 N P3 S -","- C31 H48 N P3 S -","- C248 H384 N8 P24 S8 -","8","4","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0421","0.0336","","","0.0804","0.0858","","","","","","1.012","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552476","21.8614","0.0006","16.4069","0.0004","26.8718","0.0006","90","","115.147","0.003","90","","8724.8","0.4","100","0.11","100","0.11","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 Au2 F6 N2 O6 P6 S2 -","- C60 H96 Au2 F6 N2 O6 P6 S2 -","- C240 H384 Au8 F24 N8 O24 P24 S8 -","4","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0368","0.0353","","","0.0913","0.0926","","","","","","1.104","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552504","39.763","0.002","37.788","0.002","8.9491","0.0005","90","","90","","90","","13446.6","1.2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H22 B N -","- C20 H22 B N -","- C640 H704 B32 N32 -","32","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0618","0.0468","","","0.1267","0.1391","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552505","11.605","0.0005","9.0305","0.0005","15.7985","0.0008","90","","102.127","0.0016","90","","1618.72","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B Cr O3 S -","- C17 H17 B Cr O3 S -","- C68 H68 B4 Cr4 O12 S4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.044","0.0325","","","0.0727","0.0778","","","","","","1.053","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552506","8.7781","0.0009","10.9283","0.0011","12.3004","0.0012","70.809","0.004","87.538","0.005","79.597","0.005","1095.91","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 B O -","- C28 H27 B O -","- C56 H54 B2 O2 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0648","0.0472","","","0.1116","0.1213","","","","","","1.049","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552507","13.441","0.0008","13.1854","0.0008","24.0772","0.0016","90","","94.762","0.002","90","","4252.4","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 B O -","- C27 H27 B O -","- C216 H216 B8 O8 -","8","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.058","0.0437","","","0.1059","0.1127","","","","","","1.098","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552508","14.454","0.002","7.2349","0.0007","21.474","0.003","90","","100.708","0.004","90","","2206.5","0.5","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B O -","- C28 H29 B O -","- C112 H116 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.1359","0.0553","","","0.1092","0.1356","","","","","","1.006","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552509","16.28","0.03","8.916","0.015","30.47","0.05","90","","97.92","0.03","90","","4381","13","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H52 B N S Si -","- C53 H52 B N S Si -","- C212 H208 B4 N4 S4 Si4 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71075","MoKα","","0.1209","0.0681","","","0.1492","0.1773","","","","","","1.068","","","","has coordinates,has disorder","220519","2020-10-21","18:00:00",""
"1552510","10.103","0.008","12.791","0.01","13.778","0.012","84.552","0.016","86.292","0.018","83.85","0.02","1760","2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H46 B N S -","- C43 H46 B N S -","- C86 H92 B2 N2 S2 -","2","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71075","MoKα","","0.124","0.08","","","0.2131","0.3052","","","","","","1.065","","","","has coordinates","220519","2020-10-21","18:00:00",""
"1552511","18.066","0.0003","13.8091","0.0003","19.3607","0.0003","90","","99.953","0.002","90","","4757.32","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H58 B N O2 S Si -","- C57 H58 B N O2 S Si -","- C228 H232 B4 N4 O8 S4 Si4 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71073","MoKα","","0.0739","0.061","","","0.1701","0.1803","","","","","","1.039","","","","has coordinates,has disorder","220519","2020-10-21","18:00:00",""
"1552512","14.0919","0.0002","9.1097","0.0001","36.2632","0.0006","90","","100.447","0.002","90","","4578.05","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 B Ge N2 S -","- C55 H55 B Ge N2 S -","- C220 H220 B4 Ge4 N8 S4 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71073","MoKα","","0.0384","0.0339","","","0.0972","0.0993","","","","","","1.086","","","","has coordinates","220519","2020-10-21","18:00:00",""
"1552513","11.0996","0.0002","18.7393","0.0004","15.7941","0.0004","90","","106.78","0.001","90","","3145.27","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 Mn N P4 Si -","- C27 H48 Mn N P4 Si -","- C108 H192 Mn4 N4 P16 Si4 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0473","0.0325","","","0.0774","0.083","","","","","","1.038","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552514","17.3395","0.001","18.5712","0.001","19.5632","0.0012","90","","90","","90","","6299.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H52 Mn N P4 Si -","- C25.0012 H52.0032 Mn N P4.0004 Si -","- C200.01 H416.026 Mn8 N8 P32.0032 Si8 -","8","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1117","0.0846","","","0.1787","0.1859","","","","","","1.227","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552515","10.279","0.002","12.666","0.003","13.295","0.003","70.86","0.03","84.97","0.03","87.74","0.03","1628.8","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H59 Mn N2 P4 Si -","- C25 H59 Mn N2 P4 Si -","- C50 H118 Mn2 N4 P8 Si2 -","2","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1071","0.0363","","","0.0407","0.0511","","","","","","0.59","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552516","12.3626","0.0003","14.0448","0.0003","17.4117","0.0004","89.648","0.001","74.86","0.001","89.884","0.001","2918.21","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 Mn N P4 Si -","- C23 H48 Mn N P4 Si -","- C92 H192 Mn4 N4 P16 Si4 -","4","2","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0591","0.0519","","","0.1119","0.1139","","","","","","1.252","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552517","9.637","0.0019","10.491","0.002","16.231","0.003","80.96","0.03","75.69","0.03","81.08","0.03","1558.7","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H51 Mn N2 P4 Si -","- C25 H51 Mn N2 P4 Si -","- C50 H102 Mn2 N4 P8 Si2 -","2","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.102","0.0459","","","0.0806","0.0881","","","","","","0.816","","","","has coordinates","220520","2020-10-21","18:00:00",""
"1552518","30.089","0.003","12.8432","0.0011","17.3407","0.0015","90","","90","","90","","6701.1","1.1","100","2","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H55 Mn N2 P4 Si -","- C26.988 H54.968 Mn N2 P3.996 Si -","- C215.904 H439.744 Mn8 N16 P31.968 Si8 -","8","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1543","0.103","","","0.2048","0.2289","","","","","","1.208","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552519","10.3845","0.0002","16.9686","0.0004","17.6016","0.0004","75.418","0.001","88.242","0.001","80.588","0.001","2961.09","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H52 Mn N P4 Si -","- C21 H52 Mn N P4 Si -","- C84 H208 Mn4 N4 P16 Si4 -","4","2","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0603","0.0429","","","0.0958","0.1039","","","","","","1.049","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552520","16.4955","0.0004","9.9175","0.0002","20.3912","0.0005","90","","111.915","0.001","90","","3094.82","0.13","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H55 Mn N2 P4 Si -","- C23 H55 Mn N2 P4 Si -","- C92 H220 Mn4 N8 P16 Si4 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0415","0.0322","","","0.0795","0.0855","","","","","","1.06","","","","has coordinates","220520","2020-10-21","18:00:00",""
"1552521","9.3628","0.0006","9.3628","0.0003","4.2396","","90","","90","","120","","321.86","0.02","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Ca Pd2 -","- Al3 Ca Pd2 -","- Al9 Ca3 Pd6 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0098","0.0069","","","0.0186","0.02","","","","0.83","0.83","0.84","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552522","9.3353","0.0007","9.3353","0.0007","4.2266","0.0003","90","","90","","120","","318.99","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al9 Ca1.98 Pd6 Yb1.02 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0208","0.0165","","","0.0367","0.0376","","","","1.44","1.44","1.35","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552523","9.2802","0.0006","9.2802","0.0006","4.1956","0.0003","90","","90","","120","","312.92","0.04","140","","140","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0177","0.0166","","","0.0422","0.0427","","","","1.81","1.81","1.81","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552524","9.311","0.0008","9.311","0.0008","4.2108","0.0003","90","","90","","120","","316.15","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.315667 Pd2 Yb0.684333 -","- Al9 Ca0.947 Pd6 Yb2.053 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0193","0.016","","","0.0359","0.0366","","","","1.41","1.41","1.35","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552525","9.3098","0.0007","9.3098","0.0007","4.214","0.0003","90","","90","","120","","316.3","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al9 Ca0.948 Pd6 Yb2.052 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0124","0.0084","","","0.0206","0.0223","","","","0.84","0.84","0.85","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552526","9.3121","0.0007","9.3121","0.0007","4.2135","0.0003","90","","90","","120","","316.42","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.314 Pd2 Yb0.686 -","- Al3 Ca0.314667 Pd2 Yb0.685333 -","- Al9 Ca0.944 Pd6 Yb2.056 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0126","0.0109","","","0.0258","0.0266","","","","1.07","1.07","1.06","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552527","9.2802","0.0006","9.2802","0.0006","4.2222","0.0003","90","","90","","120","","314.91","0.04","90","","90","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0169","0.0157","","","0.036","0.0366","","","","1.53","1.53","1.54","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552528","9.3321","0.0007","9.3321","0.0007","4.2276","0.0003","90","","90","","120","","318.85","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.656 Pd2 Yb0.344 -","- Al3 Ca0.656333 Pd2 Yb0.343667 -","- Al9 Ca1.969 Pd6 Yb1.031 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0127","0.0096","","","0.0221","0.0234","","","","0.91","0.91","0.9","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552529","9.3376","0.0007","9.3376","0.0007","4.2276","0.0003","90","","90","","120","","319.22","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.658 Pd2 Yb0.342 -","- Al3 Ca0.658267 Pd2 Yb0.341733 -","- Al9 Ca1.9748 Pd6 Yb1.0252 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0111","0.0088","","","0.0222","0.0234","","","","0.92","0.92","0.92","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552530","9.333","0.0008","9.333","0.0008","4.2276","0.0003","90","","90","","120","","318.91","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.655 Pd2 Yb0.345 -","- Al3 Ca0.655333 Pd2 Yb0.344667 -","- Al9 Ca1.966 Pd6 Yb1.034 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0141","0.0097","","","0.0231","0.0247","","","","0.93","0.93","0.9","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552531","9.3122","0.0012","9.3122","0.0012","4.209","0.0005","90","","90","","120","","316.09","0.07","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al9 Ca0.945 Pd6 Yb2.055 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0129","0.0101","","","0.0221","0.0232","","","","0.89","0.89","0.88","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552532","9.2956","0.0007","9.2956","0.0007","4.2016","0.0003","90","","90","","120","","314.41","0.04","300","","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0176","0.0166","","","0.0383","0.0388","","","","1.62","1.62","1.61","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552533","13.885","0.002","17.841","0.003","22.499","0.004","83.99","0.002","73.932","0.002","85.868","0.002","5320.9","1.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 F24 N14 P4 Ru2 -","- C88 H76 F24 N14 P4 Ru2 -","- C176 H152 F48 N28 P8 Ru4 -","2","1","","Smitten, Kirsty L.; Fairbanks, Simon D.; Robertson, Craig C.; Bernardino de la Serna, Jorge; Foster, Simon J.; Thomas, Jim A.","Ruthenium based antimicrobial theranostics - using nanoscopy to identify therapeutic targets and resistance mechanisms in <i>Staphylococcus aureus</i>.","Chemical science","2020","11","1","70","79","10.1039/c9sc04710g","","","0.71073","MoKα","","0.1711","0.091","","","0.2262","0.2806","","","","","","1.026","","","","has coordinates","248868","2020-10-21","18:00:00",""
"1552535","10.5647","0.0016","21.451","0.004","13.969","0.002","90","","91.911","0.005","90","","3163.9","0.9","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N3 O4 -","- C41 H33 N3 O4 -","- C164 H132 N12 O16 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.04","0.036","","","0.107","0.1095","","","","","","1.077","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552536","8.191","0.003","35.062","0.011","11.513","0.003","90","","107.607","0.005","90","","3151.6","1.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H41 Cl0 N3 -","- C44 H41 N3 -","- C176 H164 N12 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.0724","0.061","","","0.17","0.1769","","","","","","1.033","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552537","10.881","0.004","13.068","0.007","13.624","0.007","114.604","0.018","92.906","0.005","97.348","0.01","1735.2","1.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Cl2 N3 O -","- C45 H39 Cl2 N3 O -","- C90 H78 Cl4 N6 O2 -","2","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.099","0.0639","","","0.1619","0.1754","","","","","","1.01","","","","has coordinates,has disorder","220577","2020-10-21","18:00:00",""
"1552538","10.5709","0.0004","24.7927","0.0005","11.9563","0.0003","90","","93.905","0.003","90","","3126.25","0.16","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 N3 O4 -","- C42 H37 N3 O4 -","- C168 H148 N12 O16 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54184","CuKα","","0.1073","0.0887","","","0.3067","0.3301","","","","","","1.082","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552539","14.877","0.002","15.0887","0.0014","17.9227","0.0012","71.32","0.005","89.99","0.011","89.98","0.012","3811.3","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H102 N6 O6 S2 -","- C96 H102 N6 O6 S2 -","- C192 H204 N12 O12 S4 -","2","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.0691","0.0638","","","0.1699","0.1747","","","","","","1.007","","","","has coordinates,has disorder","220577","2020-10-21","18:00:00",""
"1552540","12.0286","0.0001","12.6096","0.0002","12.8296","0.0002","74.462","0.001","75.361","0.001","86.828","0.001","1813.8","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H41 Cl2 N3 O3 -","- C44 H41 Cl2 N3 O3 -","- C88 H82 Cl4 N6 O6 -","2","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54184","CuKα","","0.045","0.0446","","","0.1251","0.1255","","","","","","1.087","","","","has coordinates,has disorder","220577","2020-10-21","18:00:00",""
"1552713","14.8195","0.0008","20.8662","0.0012","9.5394","0.0007","90","","90","","90","","2949.8","0.3","100","2","99.99","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S2 -","- C44 H42 F18 N6 P3 S2 -","- C88 H84 F36 N12 P6 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1185","0.1123","","","0.2975","0.3018","","","","","","1.05","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552714","19.886","0.004","20.698","0.004","20.515","0.004","90","","90","","90","","8444","3","100","2","100.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C78 H73 F30 N11 P5 -","- C78 H73 F30 N11 P5 -","- C312 H292 F120 N44 P20 -","4","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0876","0.0542","","","0.1341","0.1579","","","","","","1.051","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552715","14.1423","0.0006","21.9108","0.0007","9.5937","0.0003","90","","90","","90","","2972.79","0.18","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C48 H46 F18 N6 P3 -","- C48 H46 F18 N6 P3 -","- C96 H92 F36 N12 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1427","0.1009","","","0.314","0.3523","","","","","","1.195","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552716","7.4563","0.0011","20.125","0.003","13.948","0.002","90","","91.831","0.008","90","","2091.9","0.5","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F24 N4 P4 -","- C36 H32 F24 N4 P4 -","- C72 H64 F48 N8 P8 -","2","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0573","0.0485","","","0.1188","0.1248","","","","","","1.066","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552717","10.3821","0.0005","21.5348","0.0009","9.6558","0.0004","90","","90","","90","","2158.81","0.16","100","2","99.98","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C32 H28 F12 N4 P2 S2 -","- C32 H28 F12 N4 P2 S2 -","- C64 H56 F24 N8 P4 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0525","0.0471","","","0.1507","0.1561","","","","","","1.08","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552718","11.2904","0.0011","16.9439","0.0018","24.966","0.003","75.157","0.01","86.061","0.011","86.58","0.009","4601.4","0.9","99.98","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 F24 N5 P4 -","- C35 H31 F24 N5 P4 -","- C140 H124 F96 N20 P16 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","x-ray","1.54184","CuKα","","0.3412","0.2375","","","0.5158","0.605","","","","","","1.535","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552719","10.266","0.0006","21.7433","0.0014","9.8244","0.0006","90","","90","","90","","2193","0.2","100","2","100.01","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C34 H30 F12 N4 P2 S -","- C34 H30 F12 N4 P2 S -","- C68 H60 F24 N8 P4 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0585","0.0509","","","0.1542","0.1601","","","","","","1.073","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552720","14.8597","0.0015","21.003","0.002","9.5902","0.0009","90","","90","","90","","2993.1","0.5","100","2","99.95","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S -","- C44 H42 F18 N6 P3 S -","- C88 H84 F36 N12 P6 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1497","0.1358","","","0.3484","0.3577","","","","","","1.062","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552721","13.603","0.0013","13.8062","0.0013","16.0216","0.0016","101.314","0.006","111.832","0.006","107.987","0.006","2486.3","0.5","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C72 H66 F48 N10 P8 S2 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","0.71073","MoKα","","0.2373","0.1355","","","0.3849","0.4408","","","","","","1.299","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552722","14.1183","0.0009","21.8905","0.0011","9.5412","0.0005","90","","90","","90","","2948.8","0.3","100","2","99.98","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C47 H45 F18 N7 P3 -","- C47 H45 F18 N7 P3 -","- C94 H90 F36 N14 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1384","0.125","","","0.3812","0.4081","","","","","","1.821","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552754","8.064","0.003","11.97","0.004","7.036","0.003","90","","90","","90","","679.2","0.4","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Al B3 Cs F O6 -","- Al B3 Cs F O6 -","- Al4 B12 Cs4 F4 O24 -","4","1","","Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability","Chemical Science","2020","11","3","694","698","10.1039/C9SC04862F","","","0.71073","MoKα","","0.0502","0.0283","","","0.0567","0.0643","","","","","","1.022","","","","has coordinates","257428","2020-10-21","18:00:00",""
"1552766","34.841","0.003","34.841","0.003","5.566","0.0006","90","","90","","120","","5851.3","1","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C28 H22 N3 P -","- C28 H22 N3 P -","- C252 H198 N27 P9 -","9","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0668","0.0489","","","0.1154","0.1267","","","","","","1.054","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552767","9.0625","0.0007","10.9721","0.0008","18.2236","0.0013","90","","90","","90","","1812.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O P -","- C19 H18 N3 O P -","- C76 H72 N12 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0596","0.0485","","","0.1274","0.1359","","","","","","1.045","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552768","8.3114","0.0002","10.1411","0.0002","10.8128","0.0002","90","","107.963","0.002","90","","866.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 O3 P -","- C19 H23 O3 P -","- C38 H46 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0357","0.0356","","","0.0875","0.0876","","","","","","1.07","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552769","6.0745","0.0001","19.8094","0.0002","9.9683","0.0001","90","","98.06","0.001","90","","1187.66","0.03","100","0.11","100","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2 P S -","- C24 H32 N O2 P S -","- C48 H64 N2 O4 P2 S2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0745","0.0753","","","","","","1.044","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552770","8.6866","0.0003","10.7017","0.0004","11.1556","0.0003","72.428","0.003","86.595","0.003","70.591","0.003","931.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Au Cl3 P -","- C16 H18 Au Cl3 P -","- C32 H36 Au2 Cl6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0604","0.057","","","0.1508","0.1531","","","","","","1.081","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552771","14.421","0.002","7.7894","0.0013","16.028","0.003","90","","114.539","0.004","90","","1637.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cl N3 O3 P -","- C36 H33 Cl N3 O3 P -","- C72 H66 Cl2 N6 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.1285","0.0879","","","0.1703","0.192","","","","","","1.095","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552772","7.6851","0.0003","12.5057","0.0005","13.9472","0.0005","90","","90","","90","","1340.43","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O P -","- C15 H13 O P -","- C60 H52 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0338","0.0317","","","0.0897","0.0925","","","","","","1.003","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552854","7.427","0.002","7.782","0.003","13.74","0.005","89.382","0.01","89.146","0.01","68.679","0.01","739.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","1-(1,1,2,2,8,8,8,8,8-Nonafluoro-8λ8-octa-3,5,7-triyn-1-yl)naphthalene","","- C18 H7 F9 -","- C18 H7 F9 -","- C36 H14 F18 -","2","1","","Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo","Controllable double CF2-insertion into sp2 C‒Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures","Chemical Science","2020","11","1","276","280","10.1039/C9SC05018C","","","0.71073","MoKα","","0.1222","0.0956","","","0.2657","0.3183","","","","","","1.231","","","","has coordinates","257300","2020-10-21","18:00:00",""
"1552855","14.4384","","16.0496","","20.713","","90","","96.573","","90","","4768.29","","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H32 N2 O3 S Si -","- C24 H32 N2 O3 S Si -","- C192 H256 N16 O24 S8 Si8 -","8","1","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.0502","0.0363","","","0.0944","0.0987","","","","","","1.085","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552856","17.4067","0.001","10.6112","0.001","22.164","0.002","90","","98.333","0.007","90","","4050.6","0.6","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H36 N4 O12 Rh2 S2 -","- C38 H36 N4 O12 Rh2 S2 -","- C152 H144 N16 O48 Rh8 S8 -","4","0.5","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.1132","0.0897","","","0.2399","0.2618","","","","","","1.041","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552876","10.7063","0.0002","13.5187","0.0003","13.5554","0.0002","71.713","0.002","76.289","0.002","70.466","0.002","1736.4","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H45 Au N4 O4 S -","- C39 H45 Au N4 O4 S -","- C78 H90 Au2 N8 O8 S2 -","2","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0309","0.027","","","0.058","0.0597","","","","","","0.975","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552877","10.4512","0.0001","18.0543","0.0002","38.7653","0.0005","90","","90","","90","","7314.59","0.14","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 Au Cl2 N3 -","- C41 H52 Au Cl2 N3 -","- C328 H416 Au8 Cl16 N24 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0302","0.0266","","","0.0829","0.0851","","","","","","1.065","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552878","12.6173","0.001","13.9286","0.0006","19.607","0.0009","90","","108.245","0.007","90","","3272.5","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Au N2 S -","- C39 H47 Au N2 S -","- C156 H188 Au4 N8 S4 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0218","0.0182","","","0.0472","0.0489","","","","","","1.046","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552879","12.6669","0.0004","17.4884","0.0005","17.3107","0.0005","90","","108.451","0.003","90","","3637.6","0.2","140","0.6","140","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Au N2 -","- C45 H51 Au N2 -","- C180 H204 Au4 N8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0314","0.0229","","","0.0529","0.0567","","","","","","1.027","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552880","10.0502","0.0002","17.6546","0.0003","39.3833","0.0006","90","","90","","90","","6987.9","0.2","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H49 Au Cl2 N2 O -","- C40 H49 Au Cl2 N2 O -","- C320 H392 Au8 Cl16 N16 O8 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0706","0.0652","","","0.1031","0.1048","","","","","","1.461","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552881","21.965","0.0005","16.1816","0.0003","20.6249","0.0007","90","","99.929","0.003","90","","7220.9","0.3","139.9","0.6","139.9","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C316 H384 Au8 Cl8 N16 O16 S8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0718","0.0545","","","0.1636","0.173","","","","","","1.325","","","","has coordinates,has disorder","250226","2020-10-21","18:00:00",""
"1552882","34.2921","0.0008","13.9716","0.0003","17.0268","0.0004","90","","90","","90","","8157.8","0.3","140.1","1","140.1","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H53 Au N2 -","- C42 H53 Au N2 -","- C336 H424 Au8 N16 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.057","0.0353","","","0.0799","0.0874","","","","","","1.09","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552883","9.5034","0.0017","10.6505","0.0019","21.889","0.004","96.945","0.003","102.069","0.003","99.44","0.003","2109.4","0.7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","2","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","0.71073","MoKα","","0.0389","0.0361","","","0.0932","0.0959","","","","","","1.033","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552884","17.3724","0.0008","5.5677","0.0003","18.8919","0.0012","90","","111.661","0.0019","90","","1698.27","0.16","90","2","90","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0308","0.0301","","","0.0792","0.08","","","","","","1.04","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552885","9.0262","0.0004","10.7097","0.0004","14.6781","0.0006","90","","90","","90","","1418.9","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0263","0.0262","","","0.0696","0.0697","","","","","","1.065","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552886","5.5431","0.0002","17.2727","0.0006","17.7127","0.0006","90","","90","","90","","1695.89","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0258","0.025","","","0.0645","0.0651","","","","","","1.043","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552893","9","0.0018","19.58","0.004","23.93","0.005","77.99","0.03","83.67","0.03","89.86","0.03","4098.6","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4CzIPN","(4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile","","- C56 H32 N6 -","- C56 H32 N6 -","- C224 H128 N24 -","4","2","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","","0.71073","MoKα","","0.1691","0.072","","","0.1603","0.2145","","","","","","0.946","","","","has coordinates","227758","2020-10-21","18:00:00",""
"1552894","18.6689","0.0004","18.6689","","18.6689","","90","","90","","90","","6506.63","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl Cr4 N32 O0.94 -","- C24 H8 Cl Cr4 N32 O0.94 -","- C72 H24 Cl3 Cr12 N96 O2.82 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.03682","","1.03","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552895","18.51977","0.00035","18.51977","","18.51977","","90","","90","","90","","6351.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl1.77 Cu5.54 N32 O0.7 -","- C24 H8 Cl1.768 Cu5.536 N32 O0.696 -","- C72 H24 Cl5.304 Cu16.608 N96 O2.088 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03802","","0.99","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552896","18.6867","0.0005","18.6867","","18.6867","","90","","90","","90","","6525.26","0.17","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.22 H8 Cl Cr4 N32 O5.38 -","- C26.216 H8 Cl Cr4 N32 O5.3772 -","- C78.648 H24 Cl3 Cr12 N96 O16.1316 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.06629","","1.16","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552897","18.90048","0.00032","18.90048","","18.90048","","90","","90","","90","","6751.78","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C29.23 H15.77 Cl Fe4.36 N32 O7.88 -","- C29.2368 H15.7664 Cl Fe4.3586 N32 O7.8824 -","- C87.7104 H47.2992 Cl3 Fe13.0758 N96 O23.6472 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05084","","1.12","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552898","18.8957","0.0004","18.8957","","18.8957","","90","","90","","90","","6746.66","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.59 H15.77 Cl Fe4.36 N32 O2.59 -","- C26.592 H15.776 Cl Fe4.358 N32 O2.588 -","- C79.776 H47.328 Cl3 Fe13.074 N96 O7.764 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05216","","1.08","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552899","18.80041","0.00011","18.80041","","18.80041","","90","","90","","90","","6645.11","0.04","100","","100","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C28.51 Cl Fe5.24 N32 O4.74 -","- C28.5088 Cl Fe5.245 N32 O4.7362 -","- C85.5264 Cl3 Fe15.735 N96 O14.2086 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","x-ray","0.61072","","","","","","","","","0.05319","","3.2","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552900","18.52951","0.00033","18.52951","","18.52951","","90","","90","","90","","6361.97","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.13 H8 Cl1.77 Cu5.54 N32 O4.96 -","- C26.128 H8 Cl1.76796 Cu5.53592 N32 O4.95512 -","- C78.384 H24 Cl5.30388 Cu16.6078 N96 O14.8654 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03713","","1.01","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552901","18.8952","0.0004","18.8952","","18.8952","","90","","90","","90","","6746.13","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C33.47 H15.77 Cl Fe4.36 N32 O16.34 -","- C33.4594 H15.7664 Cl Fe4.3586 N32 O16.2496 -","- C100.378 H47.2992 Cl3 Fe13.0758 N96 O48.7487 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.06561","","1.26","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552902","18.5323","0.0004","18.5323","","18.5323","","90","","90","","90","","6364.85","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C30.7 H8 Cl1.77 Cu5.54 N32 O14.09 -","- C30.6968 H8 Cl1.76796 Cu5.53592 N32 O14.0899 -","- C92.0904 H24 Cl5.30388 Cu16.6078 N96 O42.2698 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.05263","","1.05","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552903","18.7761","0.0006","18.7761","","18.7761","","90","","90","","90","","6619.4","0.2","30","","30","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C25.75 H8 Cl Cr4 N32 O4.45 -","- C25.744 H8 Cl Cr4 N32 O4.368 -","- C77.232 H24 Cl3 Cr12 N96 O13.104 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.37039","","","","","","","","","0.05807","","2.13","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552904","18.68163","0.00034","18.68163","","18.68163","","90","","90","","90","","6519.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C31.66 H8 Cl Cr4 N32 O16.26 -","- C31.652 H8 Cl Cr4 N32 O16.2432 -","- C94.956 H24 Cl3 Cr12 N96 O48.7296 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.05488","","1.18","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552905","12.5636","0.0018","13.3254","0.0019","17.435","0.003","83.702","0.005","82.251","0.005","72.027","0.005","2743.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H85 K N2 Ni O7 S -","- C54 H69 K N2 Ni O7 S -","- C108 H138 K2 N4 Ni2 O14 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1355","0.073","","","0.1674","0.1962","","","","","","1.004","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552906","12.8138","0.0016","13.34","0.0017","20.566","0.003","80.905","0.004","87.457","0.004","62.801","0.004","3085.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H93 K N2 Ni O6 S2 -","- C61 H77 K N2 Ni O6 S2 -","- C122 H154 K2 N4 Ni2 O12 S4 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0992","0.0635","","","0.1444","0.1642","","","","","","1.012","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552907","20.875","0.006","11.044","0.003","26.136","0.008","90","","101.289","0.007","90","","5909","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H89 K N2 Ni O8 -","- C60 H89 K N2 Ni O8 -","- C240 H356 K4 N8 Ni4 O32 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1961","0.1112","","","0.2693","0.3112","","","","","","1.07","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552908","24.849","0.0019","17.4488","0.0012","27.016","0.002","90","","115.268","0.003","90","","10593","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H166 K2 N4 Ni2 O18 -","- C101 H148 K2 N4 Ni2 O18 -","- C404 H592 K8 N16 Ni8 O72 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1954","0.0905","","","0.2063","0.2638","","","","","","1.032","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552909","38.446","0.004","18.5998","0.0016","18.9696","0.0016","90","","112.48","0.002","90","","12534","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H105 K N2 Ni O8 S2 -","- C59 H77 K N2 Ni O8 S2 -","- C472 H616 K8 N16 Ni8 O64 S16 -","8","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1641","0.0865","","","0.2195","0.2693","","","","","","1.029","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552910","12.5942","0.001","20.265","0.002","22.942","0.002","90","","92.03","0.005","90","","5851.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C117 H178 K2 N4 Ni2 O16 S2 -","- C117 H170 K2 N4 Ni2 O16 S2 -","- C234 H340 K4 N8 Ni4 O32 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1181","0.0582","","","0.1176","0.1413","","","","","","1.009","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552911","5.66599","0.00006","8.61364","0.0001","31.0135","0.0003","90","","90","","90","","1513.61","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 F3 N O3 S -","- C17 H10 F3 N O3 S -","- C68 H40 F12 N4 O12 S4 -","4","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","1.54187","CuKα","","0.0479","0.0479","","","0.1124","0.1124","","","","","","0.962","","","","has coordinates","227762","2020-10-21","18:00:00",""
"1552912","27.336","0.002","11.5772","0.001","19.4333","0.0017","90","","106.049","0.001","90","","5910.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H70 B F20 Y -","- C64 H70 B F20 Y -","- C256 H280 B4 F80 Y4 -","4","0.5","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0685","0.047","","","0.1119","0.1255","","","","","","1.032","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552913","15.0163","0.0005","23.1163","0.0008","16.7813","0.0006","90","","90.902","0.001","90","","5824.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B F20 Y -","- C62 H66 B F20 Y -","- C248 H264 B4 F80 Y4 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0795","0.0638","","","0.1591","0.1719","","","","","","1.053","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552914","16.538","0.002","14.4952","0.0018","22.753","0.003","90","","90.053","0.002","90","","5454.4","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B F20 Y -","- C58 H58 B F20 Y -","- C232 H232 B4 F80 Y4 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.1146","0.0821","","","0.216","0.2386","","","","","","1.123","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552915","14.599","0.01","16.737","0.011","47.12","0.03","90","","90.253","0.011","90","","11513","13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B F20 Y -","- C60 H62 B F20 Y -","- C480 H496 B8 F160 Y8 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0909","0.0769","","","0.1922","0.2027","","","","","","1.046","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552946","10.936","0.004","9.071","0.003","12.562","0.005","90","","94.63","0.005","90","","1242.1","0.8","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","compound 21","compound 21","","- C23 H31 N O7 Si -","- C23 H31 N O7 Si -","- C46 H62 N2 O14 Si2 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","0.71073","MoKα","","0.0598","0.0575","","","0.143","0.1458","","","","","","1.049","","","","has coordinates","257421","2020-10-21","18:00:00",""
"1552947","8.7818","0.0005","21.1435","0.0013","10.5555","0.0007","90","","92.327","0.002","90","","1958.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","PMA-27","PMA-27","","- C45 H47 N4 O9 -","- C45 H47 N4 O9 -","- C90 H94 N8 O18 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","1.54178","CuKα","","0.1039","0.063","","","0.1146","0.1305","","","","","","1.032","","","","has coordinates,has disorder","257421","2020-10-21","18:00:00",""
"1552948","7.355","0.0004","12.9923","0.0007","24.5807","0.0014","90","","90","","90","","2348.9","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 Br2 N2 O6 -","- C26 H12 Br2 N2 O6 -","- C104 H48 Br8 N8 O24 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","0.71073","MoKα","","0.0655","0.0405","","","0.0841","0.0942","","","","","","1.027","","","","has coordinates","250228","2020-10-21","18:00:00",""
"1552949","15.0405","0.0002","8.4792","0.0001","13.8431","0.0001","90","","106.602","0.001","90","","1691.83","0.03","295","","295","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C16.05 H12.45 N O5 -","- C16.05 H12.45 N O5 -","- C64.2 H49.8 N4 O20 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","1.54184","CuKα","","0.0698","0.0695","","","0.1996","0.2005","","","","","","1.16","","","","has coordinates,has disorder","250228","2020-10-21","18:00:00",""
"1552950","15.2114","0.0017","15.0318","0.0019","22.042","0.002","90","","93.831","0.004","90","","5028.7","1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C66 H50 N2 O4 -","- C66 H50 N2 O4 -","- C264 H200 N8 O16 -","4","2","","Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne","Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems.","Chemical science","2020","11","2","567","576","10.1039/c9sc05231c","","x-ray","0.71073","MoKα","","0.1354","0.0984","","","0.2509","0.278","","","","","","1.018","","","","has coordinates","250223","2020-10-21","18:00:00",""
"1552951","14.2115","0.0005","13.2334","0.0004","26.4184","0.0007","90","","116.384","0.003","90","","4450.9","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H19 N O S2 -","- C78 H19 N O S2 -","- C312 H76 N4 O4 S8 -","4","1","","Liu, Kai-Qing; Wang, Jun-Jie; Yan, Xing-Xing; Niu, Chuang; Wang, Guan-Wu","Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns.","Chemical science","2020","11","2","384","388","10.1039/c9sc02131k","","","1.54184","CuKα","","0.1222","0.0789","","","0.1994","0.2308","","","","","","1.071","","","","has coordinates,has disorder","250227","2020-10-21","18:00:00",""
"1553077","16.0231","0.0006","19.3117","0.0007","32.4862","0.0011","90","","91.744","0.002","90","","10047.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Br2 Co N4 O4 -","- C48 H82 Br2 Co N4 O4 -","- C384 H656 Br16 Co8 N32 O32 -","8","2","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.1685","0.0763","","","0.1918","0.229","","","","","","1.045","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553078","10.7544","0.0007","28.8912","0.0018","18.3199","0.0011","90","","97.037","0.001","90","","5649.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Br2 Co N5 O5 -","- C54 H92 Br2 Co N5 O5 -","- C216 H368 Br8 Co4 N20 O20 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.1103","0.0658","","","0.1542","0.1756","","","","","","1.037","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553079","18.491","0.0011","8.1781","0.0004","21.8017","0.0013","90","","93.873","0.003","90","","3289.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H46 Br2 Co N3 O4 -","- C32 H44 Br2 Co N3 O4 -","- C128 H176 Br8 Co4 N12 O16 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.0515","0.0319","","","0.0702","0.0767","","","","","","1.039","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553080","10.4432","0.0007","13.5068","0.0008","39.638","0.002","90","","95.944","0.004","90","","5561","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Br2 Co N4 O4 -","- C56 H82 Br2 Co N4 O4 -","- C224 H328 Br8 Co4 N16 O16 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","mokα","","0.1246","0.0826","","","0.2019","0.2241","","","","","","1.105","","","","has coordinates,has disorder","233271","2020-10-21","18:00:00",""
"1553081","18.7063","0.0012","11.4184","0.0007","13.9803","0.001","90","","90","","90","","2986.1","0.3","100.02","","100.02","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H44 Li N O3 Si -","- C33 H44 Li N O3 Si -","- C132 H176 Li4 N4 O12 Si4 -","4","1","","Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R.","A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides","Chem. Sci.","2014","5","12","4831","","10.1039/C4SC01257G","","","0.71073","MoKα","","0.0331","0.0311","","","0.082","0.0837","","","","","","1.061","","","","has coordinates,has disorder","233275","2020-10-21","18:00:00",""
"1553082","9.28","0.002","12.256","0.003","18.651","0.004","98.324","0.003","91.537","0.003","106.636","0.003","2005.9","0.8","168.15","","168.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Co N P2 Si2 -","- C42 H48 Co N P2 Si2 -","- C84 H96 Co2 N2 P4 Si4 -","2","1","","Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R.","A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides","Chem. Sci.","2014","5","12","4831","","10.1039/C4SC01257G","","","0.71073","MoKα","","0.0765","0.0504","","","0.1305","0.149","","","","","","1.038","","","","has coordinates","233275","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",""
"1553241","13.3249","0.0009","26.5982","0.0015","10.0862","0.0006","90","","90","","90","","3574.7","0.4","173","2","173","2","","","","","","","","3","A e m 2","A 2 -2b","39","","","","- C49 H34 Cl2 -","- C49 H32 Cl2 -","- C196 H128 Cl8 -","4","0.5","","Sisto, Thomas J.; Zakharov, Lev N.; White, Brittany M.; Jasti, Ramesh","Towards pi-extended cycloparaphenylenes as seeds for CNT growth: investigating strain relieving ring-openings and rearrangements.","Chemical science","2016","7","6","3681","3688","10.1039/c5sc04218f","","","1.54178","CuKα","","0.0809","0.075","","","0.2148","0.2231","","","","","","1.068","","","","has coordinates","233867","2020-10-21","18:00:00",""
"1553640","9.37666","0.00019","9.37666","0.00019","36.6305","0.0012","90","","90","","90","","3220.62","0.14","180.01","0.1","180.01","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","1.5418","CuKα","","0.0471","0.0421","","","0.1015","0.1052","","","","","","1.063","","","","has coordinates","235356","2020-10-21","18:00:00",""
"1553641","13.023","0.0011","21.0779","0.0016","12.8028","0.0009","90","","90.541","0.008","90","","3514.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H24.5 Cl1.5 N2 -","- C19.5 H24.5 Cl1.5 N2 -","- C156 H196 Cl12 N16 -","8","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.1306","0.0896","","","0.2077","0.2393","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553642","12.2491","0.0009","35.949","0.003","13.088","0.0013","90","","90","","90","","5763.2","0.9","100.02","0.18","100.02","0.18","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C288 H304 N48 -","16","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.0576","0.0459","","","0.1079","0.116","","","","","","1.066","","","","has coordinates","235356","2020-10-21","18:00:00",""
"1553643","29.3374","0.0007","29.3374","0.0007","29.3374","0.0007","90","","90","","90","","25250.2","1","100","","100.05","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 Fe N6 -","- C27 H33 B2 F10.9999 Fe N6 -","- C864 H1056 B64 F351.997 Fe32 N192 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","x-ray","0.71073","MoKα","","0.0572","0.0486","","","0.1456","0.1548","","","","","","1.049","","","","has coordinates","235361","2020-10-21","18:00:00",""
"1553644","11.4603","0.0007","14.9231","0.0008","18.6992","0.0011","110.254","0.003","106.434","0.003","91.133","0.003","2853","0.3","100","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31.5 B2 F10 Fe N6.5 -","- C26 H31.5 B2 F10 Fe N6.5 -","- C104 H126 B8 F40 Fe4 N26 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0527","0.0448","","","0.1107","0.1153","","","","","","1.059","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553645","13.6092","0.0004","14.5112","0.0004","14.1222","0.0004","90","","90.875","0.001","90","","2788.61","0.14","100","","99.87","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C25 H30 B2 F10 N6 Zn -","- C24.9995 H29.9985 B2 F10.0005 N6 Zn -","- C99.998 H119.994 B8 F40.002 N24 Zn4 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0511","0.0429","","","0.1042","0.1088","","","","","","1.025","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553646","16.8376","0.0005","16.8376","0.0005","7.8829","0.0003","90","","90","","120","","1935.43","0.11","100","","100.08","","","","","","","","","6","P 3","P 3","143","","","","- C24 H27 B2 F11 Fe N6 -","- C24 H27 B2 F11 Fe N6 -","- C72 H81 B6 F33 Fe3 N18 -","3","1","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0375","0.0365","","","0.0948","0.0958","","","","","","1.026","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553647","29.282","0.0008","29.282","0.0008","29.282","0.0008","90","","90","","90","","25107.4","1.2","100","","100.08","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 N6 Zn -","- C27 H33 B2 F10.9999 N6 Zn -","- C864 H1056 B64 F351.997 N192 Zn32 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0382","0.0355","","","0.1002","0.103","","","","","","1.073","","","","has coordinates","235370","2020-10-21","18:00:00",""
"1553648","7.0187","0.0004","7.0187","","7.5098","0.0005","90","","90","","90","","369.95","0.03","298","","298","","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si Xe0.34 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.05565","","4.07","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553649","7.00122","0.00019","7.00122","","7.49794","0.00021","90","","90","","90","","367.527","0.014","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.03824","","4.12","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553650","6.99732","0.00024","6.99732","","7.49177","0.00027","90","","90","","90","","366.816","0.018","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.04738","","3.5","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553651","7.1831","0.0011","7.1831","0.0011","7.5839","0.0012","90","","90","","90","","391.31","0.1","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Fe","SIFSIX-3-Fe","","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","","","0.71073","MoKα","","0.0596","0.048","","","0.1543","0.1717","","","","","","1.24","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553981","29.8513","0.0007","27.0724","0.0007","28.996","0.0006","90","","90","","90","","23433","1","93","0.3","93","0.3","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0552","0.0418","","","0.0968","0.1033","","","","","","1.014","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553982","30.1004","0.0007","27.2979","0.0007","29.2079","0.0006","90","","90","","90","","23999.5","1","292.99","0.11","292.99","0.11","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.087","0.0536","","","0.1024","0.1154","","","","","","1.017","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553983","30.1847","0.0007","27.3736","0.0007","29.2444","0.0006","90","","90","","90","","24163.6","1","273","0.12","273","0.12","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0668","0.0427","","","0.085","0.0928","","","","","","1.019","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553984","29.9954","0.001","27.188","0.0009","29.1016","0.0007","90","","90","","90","","23732.8","1.3","183.01","0.1","183.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0554","0.0393","","","0.0879","0.0942","","","","","","1.024","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553985","30.1665","0.0011","27.3016","0.001","29.212","0.0008","90","","90","","90","","24058.8","1.4","243.01","0.1","243.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0601","0.0396","","","0.0837","0.0911","","","","","","0.975","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553986","19.878","0.002","19.878","0.002","27.361","0.003","90","","90","","120","","9362.8","1.7","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C150 H132 Au13 Cl5 P12 -","- C150 H132 Au13 Cl5 P12 -","- C300 H264 Au26 Cl10 P24 -","2","0.166667","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.084","0.0406","","","0.0815","0.0943","","","","","","0.97","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1553987","27.105","0.006","29.82","0.007","28.748","0.006","90","","90","","90","","23236","9","173.15","","173.15","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.1037","0.0542","","","0.1279","0.1549","","","","","","1.038","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1553988","17.4438","0.0003","19.0667","0.0004","24.5099","0.0004","86.385","0.001","84.399","0.001","84.413","0.001","8062.6","0.3","93","0.1","93","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C156 H138 Au13 Cl F24 P16 -","- C156 H138 Au13 Cl F24 P16 -","- C312 H276 Au26 Cl2 F48 P32 -","2","1","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0694","0.046","","","0.0988","0.1087","","","","","","1.023","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1554588","11.9355","0.0004","12.1743","0.0004","15.3187","0.0004","112.686","0.003","97.711","0.002","98.63","0.003","1984.93","0.12","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H59 Cl N2 P2 Zr -","- C40 H59 Cl N2 P2 Zr -","- C80 H118 Cl2 N4 P4 Zr2 -","2","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0572","0.036","","","0.0653","0.0684","","","","","","0.924","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554589","12.10234","0.00018","13.69809","0.00019","31.6606","0.0004","90","","91.0656","0.0014","90","","5247.75","0.13","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H78 Cl N3 P2 Zr -","- C52 H78 Cl N3 P2 Zr -","- C208 H312 Cl4 N12 P8 Zr4 -","4","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","1.54184","CuKα","","0.0645","0.0505","","","0.1104","0.1153","","","","","","1.165","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554590","37.6269","0.0007","12.5284","0.0003","22.9308","0.0004","90","","99.4621","0.0019","90","","10662.6","0.4","120","1","120","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H82 Cl N5 O P2 Zr -","- C52 H82 Cl N5 O P2 Zr -","- C416 H656 Cl8 N40 O8 P16 Zr8 -","8","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.094","0.0539","","","0.0987","0.1124","","","","","","1.04","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554591","12.6621","0.0002","18.1002","0.0003","23.9357","0.0003","100.866","0.0012","95.4948","0.0013","103.491","0.0014","5182.35","0.14","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H80 Cl N3 P2 Zr -","- C52 H68 Cl N3 P2 Zr -","- C208 H272 Cl4 N12 P8 Zr4 -","4","2","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0787","0.0497","","","0.1091","0.1213","","","","","","1.037","","","","has coordinates,has disorder","237393","2020-10-21","18:00:00",""
"1554592","7.1336","0.0012","7.3556","0.0013","13.246","0.002","90","","102.455","0.004","90","","678.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Agnestin B","","","- C15 H14 O7 -","- C15 H14 O7 -","- C30 H28 O14 -","2","1","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0493","0.0491","","","0.1336","0.1338","","","","","","1.094","","","","has coordinates","237405","2020-10-21","18:00:00",""
"1554593","7.4082","0.0014","7.9771","0.0015","43.956","0.008","90","","90","","90","","2597.6","0.8","173.15","","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O6.5 -","- C15 H13 O6.5 -","- C120 H104 O52 -","8","2","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0288","0.0287","","","0.0773","0.0775","","","","","","1.069","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554594","34.3297","0.0007","34.3297","0.0007","34.3297","0.0007","90","","90","","90","","40458.5","1.4","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C152 H144 Cd4 F24 N28 O24 S8 -","- C144 H144 Cd4 N28 -","- C1152 H1152 Cd32 N224 -","8","0.0833333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0445","0.04","","","0.1062","0.1103","","","","","","1.043","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554595","34.257","0.007","18.552","0.004","54.149","0.011","90","","97.09","0.03","90","","34150","12","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5 -","- C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5 -","- C1284 H1010 B24 F216 N234 Ni32 O122 S40 -","8","1","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.107","0.0817","","","0.2556","0.2765","","","","","","1.075","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554596","14.93","0.002","14.93","0.002","68.868","0.014","90","","90","","120","","13294","4","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C78.83 H76.5 F17.5 K0.83 N15.5 O11.5 S3.83 Sb Zn2 -","- C78.147 H76.5 F16.1913 K0.842 N15.5 O9.441 S3.147 Sb0.9608 Zn2 -","- C468.882 H459 F97.1478 K5.052 N93 O56.646 S18.882 Sb5.7648 Zn12 -","6","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0566","0.0516","","","0.16","0.1639","","","","","","1.132","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554597","26.441","0.003","26.441","0.003","26.441","0.003","90","","90","","90","","18486","4","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C153 H132 Cd4 F69 N32 O3 S Sb7 -","- C153 H132 Cd4 F68.9991 N32 O2.9997 S0.9999 Sb6.9999 -","- C612 H527.999 Cd16 F275.996 N128 O11.9988 S3.9996 Sb27.9996 -","4","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0702","0.0654","","","0.1921","0.1983","","","","","","1.024","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554598","34.21","0.005","34.21","0.005","27.215","0.005","90","","90","","90","","31850","9","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C531.5 H392.25 F48 N82.25 Ni8 O53.25 S16 Zn6 -","- C524.876 H388.726 F28.2 N82.25 Ni8 O33.45 S9.4 Zn6 -","- C1049.75 H777.452 F56.4 N164.5 Ni16 O66.9 S18.8 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1394","0.121","","","0.3372","0.3532","","","","","","1.053","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554599","32.3977","0.0013","31.639","0.0013","22.0583","0.0009","90","","123.314","0.002","90","","18894.9","1.4","180","2","180","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C70.5 H64.5 F19.5 N15.5 O4.5 S1.5 Sb2.5 Zn2 -","- C69.865 H63 F17.625 N15.495 O2.625 S0.875 Sb2.5 Zn2 -","- C558.92 H504 F141 N123.96 O21 S7 Sb20 Zn16 -","8","2","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0992","0.0751","","","0.1957","0.2177","","","","","","1.036","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554600","34.3","0.005","34.3","0.005","27.428","0.006","90","","90","","90","","32269","10","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C543 H406 Co8 F48 N83.5 O53.75 S16 Zn6 -","- C538.8 H401.5 Co8 F35.4 N83.5 O41.15 S11.8 Zn6 -","- C1077.6 H803 Co16 F70.8 N167 O82.3 S23.6 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1197","0.1019","","","0.3039","0.3215","","","","","","1.078","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554601","17.4073","0.0007","15.531","0.0004","33.3439","0.0015","90","","114.157","0.005","90","","8225.2","0.6","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H73 Ca I N11 O4 U -","- C65 H73 Ca I N11 O4 U -","- C260 H292 Ca4 I4 N44 O16 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.1315","0.1207","","","0.2758","0.2816","","","","","","0.87","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554602","13.6821","0.0002","21.8875","0.0003","24.244","0.0003","90","","90","","90","","7260.28","0.17","170","2","170.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H77 N15 O2 Rb U -","- C77 H77 N15 O2 Rb U -","- C308 H308 N60 O8 Rb4 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","0.71073","MoKα","","0.0281","0.0247","","","0.0527","0.0538","","","","","","1.051","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554603","13.273","0.0001","16.4368","0.0001","27.8646","0.0002","90","","90","","90","","6079.1","0.07","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H62 I N12 O2 U Zn -","- C62 H62 I N12 O2 U Zn -","- C248 H248 I4 N48 O8 U4 Zn4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.0216","0.0202","","","0.0468","0.0473","","","","","","0.9","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554604","20.517","0.005","21.431","0.005","19.018","0.005","90","0.005","117.115","0.005","90","0.005","7443","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H87 Cl N9 O2 Ti U -","- C87 H87 Cl N9 O2 Ti U -","- C348 H348 Cl4 N36 O8 Ti4 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","0.71073","MoKα","","0.0506","0.0355","","","0.074","0.08","","","","","","0.918","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554605","47.424","0.005","14.484","0.005","30.602","0.005","90","0.005","127.576","0.005","90","0.005","16659","7","170","2","170","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C86.48 H86.48 Cl3 Mg N15 O2 U Zr -","- C86.48 H86.48 Cl3 Mg N15 O2 U Zr -","- C691.84 H691.84 Cl24 Mg8 N120 O16 U8 Zr8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.1889","0.0965","","","0.166","0.2032","","","","","","1.014","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554606","28.7327","0.0005","22.93","0.0003","24.8036","0.0003","90","","102.077","0.0013","90","","15979.9","0.4","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H57 Cl N11 O2 U Zn -","- C57 H57 Cl N11 O2 U Zn -","- C456 H456 Cl8 N88 O16 U8 Zn8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.1055","0.0983","","","0.2329","0.2365","","","","","","1.142","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554607","20.2769","0.0012","21.7767","0.001","18.5794","0.0011","90","","115.829","0.007","90","","7384.4","0.8","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H86 Cl N12 O3 U Zr -","- C82 H86 Cl N12 O3 U Zr -","- C328 H344 Cl4 N48 O12 U4 Zr4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.0992","0.0717","","","0.1606","0.1783","","","","","","1.089","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554608","24.852","0.005","23.01","0.005","28.754","0.005","90","0.005","102.183","0.005","90","0.005","16073","6","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C87 H87 Cl Mg N17 O2 U -","- C87.5 H87.5 Cl Mg N16.5 O2 U -","- C700 H700 Cl8 Mg8 N132 O16 U8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.5418","CuKα","","0.0365","0.0295","","","0.0698","0.0735","","","","","","0.922","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554609","27.7671","0.0004","27.7671","0.0004","35.7644","0.0005","90","","90","","120","","23880.5","0.6","120","0.1","120","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C312 H312 Cs6 N60 O12 U6 -","- C312 H312 Cs6 N60 O12 U6 -","- C936 H936 Cs18 N180 O36 U18 -","3","0.166667","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","1.54184","CuKα","","0.0808","0.0658","","","0.1669","0.1764","","","","","","1.027","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1555232","9.5181","0.0002","11.3448","0.0002","18.2344","0.0004","90","","105.143","0.002","90","","1900.6","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Br Cl N O2 -","- C19 H21 Br Cl N O2 -","- C76 H84 Br4 Cl4 N4 O8 -","4","2","","Monasterolo, Claudio; Müller-Bunz, Helge; Gilheany, Declan G.","Very short highly enantioselective Grignard synthesis of 2,2-disubstituted tetrahydrofurans and tetrahydropyrans.","Chemical science","2019","10","26","6531","6538","10.1039/c9sc00978g","","","1.54184","CuKα","","0.0389","0.0377","","","0.0965","0.0983","","","","","","1.016","","","","has coordinates","238412","2020-10-21","18:00:00",""
"1555234","14.228","0.005","15.407","0.006","16.166","0.006","86.526","0.004","65.199","0.004","85.672","0.004","3206","2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 F3 Ir N6 -","- C31 H30 F3 Ir N6 -","- C124 H120 F12 Ir4 N24 -","4","2","","Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.","Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.","Chemical science","2019","10","25","6254","6260","10.1039/c9sc01386e","","","0.71073","MoKα","","0.1509","0.0977","","","0.2345","0.3004","","","","","","1.045","","","","has coordinates","238414","2020-10-21","18:00:00",""
"1555235","27.27","0.008","20.718","0.006","14.832","0.004","90","","116.007","0.003","90","","7531","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 F3 Ir N6 -","- C39 H34 F3 Ir N6 -","- C312 H272 F24 Ir8 N48 -","8","1","","Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.","Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.","Chemical science","2019","10","25","6254","6260","10.1039/c9sc01386e","","","0.71073","MoKα","","0.1318","0.0882","","","0.1765","0.2105","","","","","","1.078","","","","has coordinates,has disorder","238414","2020-10-21","18:00:00",""
"1555238","12.3523","0.0003","12.3523","0.0003","19.4557","0.001","90","","90","","90","","2968.54","0.18","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H54 N2 O2 Zn2 -","- C26 H54 N2 O2 Zn2 -","- C104 H216 N8 O8 Zn8 -","4","0.5","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.1062","0.0591","","","0.1568","0.2114","","","","","","0.998","","","","has coordinates,has disorder","238417","2020-10-21","18:00:00",""
"1555239","9.4169","0.0003","30.0759","0.0006","10.6586","0.0003","90","","106.582","0.003","90","","2893.2","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn2 -","- C30 H46 N2 O2 Zn2 -","- C120 H184 N8 O8 Zn8 -","4","1","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.0662","0.053","","","0.1196","0.1282","","","","","","1.047","","","","has coordinates","238417","2020-10-21","18:00:00",""
"1555240","10.525","0.0004","22.503","0.0007","12.296","0.0004","90","","95.834","0.001","90","","2897.15","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn -","- C30 H46 N2 O2 Zn -","- C120 H184 N8 O8 Zn4 -","4","1","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.0575","0.0443","","","0.097","0.105","","","","","","1.074","","","","has coordinates","238417","2020-10-21","18:00:00",""
"1555245","20.4519","0.001","8.3981","0.0004","29.0733","0.0012","90","","133.17","0.002","90","","3641.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl O3 -","- C21 H19 Cl O3 -","- C168 H152 Cl8 O24 -","8","2","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0813","0.0497","","","0.1227","0.1453","","","","","","1.018","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555246","9.2815","0.0013","26.184","0.004","8.2635","0.0013","90","","114.173","0.005","90","","1832.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.1079","0.087","","","0.2372","0.2576","","","","","","1.049","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555247","8.0324","0.0007","10.4173","0.0009","21.4761","0.0018","90","","98.076","0.003","90","","1779.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F O3 -","- C21 H19 F O3 -","- C84 H76 F4 O12 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0718","0.0426","","","0.1036","0.1165","","","","","","1.026","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555248","11.0083","0.0011","17.6321","0.0017","6.9894","0.0007","90","","98.387","0.003","90","","1342.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0571","0.0356","","","0.081","0.0925","","","","","","1.036","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555250","8.2948","0.0003","9.5359","0.0003","10.0158","0.0003","75.291","0.002","74.899","0.002","86.594","0.002","739.79","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Lu, Qingquan; Mondal, Shobhan; Cembellín, Sara; Greßies, Steffen; Glorius, Frank","Site-selective C-H activation and regiospecific annulation using propargylic carbonates.","Chemical science","2019","10","26","6560","6564","10.1039/c9sc01703h","","","1.54178","CuKα","","0.0536","0.0412","","","0.1027","0.1113","","","","","","1.065","","","","has coordinates","238424","2020-10-21","18:00:00",""
"1555252","9.6119","0.0005","16.0078","0.0007","12.0749","0.0007","90","","94.068","0.006","90","","1853.23","0.17","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Co0.5 O3 -","- C17 H15 Co0.5 O3 -","- C68 H60 Co2 O12 -","4","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.","Chemical science","2019","10","31","7433","7441","10.1039/c9sc02057h","","x-ray","1.54184","CuKα","","0.0608","0.0489","","","0.1398","0.149","","","","","","0.9725","","","","has coordinates","238426","2020-10-21","18:00:00",""
"1555253","7.379","0.0005","14.8543","0.001","16.8845","0.001","90","","90","","90","","1850.7","0.2","99.99","0.1","99.99","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H8.64 O2 -","- C13 H8.646 O2 -","- C104 H69.168 O16 -","8","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.","Chemical science","2019","10","31","7433","7441","10.1039/c9sc02057h","","x-ray","0.71073","MoKα","","0.0526","0.043","","","0.104","0.111","","","","","","1.054","","","","has coordinates,has disorder","238426","2020-10-21","18:00:00",""
"1555255","7.243","0.0017","12.882","0.002","23.908","0.006","90","","90","","90","","2230.7","0.8","250","2","250","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C12 H14 B2 F8 Fe N6 O2 -","- C12 H14 B2 F8 Fe N6 O2 -","- C48 H56 B8 F32 Fe4 N24 O8 -","4","0.25","","Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez","A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout.","Chemical science","2019","10","27","6612","6616","10.1039/c9sc02522g","","","0.71073","MoKα","","0.1058","0.0897","","","0.252","0.2711","","","","","","1.056","","","","has coordinates","238428","2020-10-21","18:00:00",""
"1555259","11.4074","0.0005","11.4074","0.0005","11.4074","0.0005","90","","90","","90","","1484.43","0.11","200","","200","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- C14 H20 O16.75 -","- C14 H19.9992 O16.7492 -","- C28 H39.9984 O33.4984 -","2","0.0833333","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0928","0.0859","","","0.2151","0.2255","","","","","","1.196","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555260","16.4008","0.0015","16.4008","0.0015","22.397","0.002","90","","90","","90","","6024.5","0.9","100","","100","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C15 H18 O8.25 -","- C15 H18 O8.25 -","- C240 H288 O132 -","16","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0686","0.0549","","","0.1517","0.1635","","","","","","1.053","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555261","16.238","0.0002","16.238","0.0002","22.3825","0.0003","90","","90","","90","","5901.65","0.13","100.01","0.1","100","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C60 H72 O24 -","- C60 H72 O24 -","- C240 H288 O96 -","4","0.25","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0639","0.0511","","","0.1334","0.1421","","","","","","1.064","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555262","7.3713","0.0011","22.951","0.004","23.585","0.004","90","","90","","90","","3990.1","1.1","200","","200","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C20 H28.9 O8 -","- C14 O8 -","- C112 O64 -","8","0.25","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1034","0.0634","","","0.183","0.2143","","","","","","1.039","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555263","3.596","0.0009","8.934","0.002","17.937","0.004","77.839","0.007","86.729","0.007","88.967","0.007","562.4","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H10.5 O8.25 -","- C9 H8 O8.25 -","- C18 H16 O16.5 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.147","0.0676","","","0.1598","0.1898","","","","","","0.916","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555264","16.429","0.003","16.429","0.003","7.358","0.0012","90","","90","","90","","1986","0.6","200","","200","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- C20.02 H28.86 O8 -","- C20.032 H16 O8 -","- C80.128 H64 O32 -","4","0.125","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0842","0.065","","","0.185","0.1993","","","","","","1.135","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555265","27.254","0.003","16.726","0.0016","6.7365","0.0006","90","","100.207","0.003","90","","3022.2","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 O7 -","- C15 H15.5 O7 -","- C120 H124 O56 -","8","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0943","0.0731","","","0.225","0.2492","","","","","","1.065","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555266","26.075","0.002","16.4837","0.0012","3.6749","0.0003","90","","95.076","0.002","90","","1573.3","0.2","200","","200","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O6 -","- C9 H6 O6 -","- C36 H24 O24 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0547","0.0406","","","0.1101","0.1206","","","","","","1.042","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555267","26.24","0.005","16.529","0.003","3.7452","0.0007","90","","96.283","0.006","90","","1614.6","0.5","350","","350","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O6 -","- C9 H6 O6 -","- C36 H24 O24 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0622","0.0423","","","0.119","0.1342","","","","","","1.02","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555268","25.869","0.004","16.419","0.003","3.606","0.0006","90","","93.617","0.004","90","","1528.6","0.4","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O13.5 -","- C9 H6 O13.5 -","- C36 H24 O54 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0727","0.0688","","","0.1992","0.2049","","","","","","1.07","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555269","9.1671","0.0017","9.4589","0.0018","9.6179","0.0017","93.22","0.005","116.28","0.005","118.728","0.005","616.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C24 H28 O14 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0759","0.0486","","","0.1107","0.1203","","","","","","0.912","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555270","10.5024","0.00006","15.8859","0.00007","16.6093","0.00007","113.726","0.0004","98.448","0.0004","106.802","0.0004","2316.46","0.02","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H38 O20 -","- C51 H38 O20 -","- C102 H76 O40 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.6889","","","0.0559","0.0429","","","0.1345","0.1429","","","","","","1.1","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555271","25.768","0.004","16.425","0.002","3.6006","0.0005","90","","93.333","0.004","90","","1521.3","0.4","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H16.75 O11.38 -","- C9 H6 O11.375 -","- C36 H24 O45.5 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1014","0.0887","","","0.2374","0.2458","","","","","","1.785","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555272","16.523","0.0016","16.523","0.0016","19.4","0.002","90","","90","","120","","4586.8","0.8","100","","100","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C18 H12 O20 -","- C18 H12 O20 -","- C108 H72 O120 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1344","0.0777","","","0.1893","0.2266","","","","","","0.981","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555273","11.4331","0.0008","11.4331","0.0008","11.4312","0.0008","90","","90","","90","","1494.24","0.18","200","","200","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","","","- C14 H20 O25.5 -","- C14 H19.9996 O25.4992 -","- C28 H39.9992 O50.9984 -","2","0.125","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.086","0.076","","","0.1852","0.2009","","","","","","1.142","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555274","16.5141","0.0006","16.5141","0.0006","9.7096","0.0004","90","","90","","120","","2293.2","0.15","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C9 H10 O8 -","- C9 H6 O8 -","- C54 H36 O48 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.074","0.0638","","","0.2062","0.2217","","","","","","1.062","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555275","19.0126","0.0017","9.6004","0.0008","27.383","0.002","90","","90.563","0.002","90","","4997.9","0.7","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C192 H224 O112 -","16","2","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0687","0.0564","","","0.1501","0.1624","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555282","15.092","0.0012","15.092","0.0012","98.494","0.007","90","","90","","90","","22434","3","173","2","173.15","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C57 H28 O16 Zr3 -","- C63 O16 Zr3 -","- C504 O128 Zr24 -","8","0.25","","Zhang, Yingmu; Pang, Jiandong; Li, Jialuo; Yang, Xinyu; Feng, Mingbao; Cai, Peiyu; Zhou, Hong-Cai","Visible-light harvesting pyrene-based MOFs as efficient ROS generators","Chemical Science","2019","10","36","8455","","10.1039/C9SC03080H","","","1.54184","CuKα","","0.1655","0.1121","","","0.319","0.3561","","","","","","1.056","","","","has coordinates","238434","2020-10-21","18:00:00",""
"1555285","10.994","0.006","13.807","0.007","23.317","0.01","90","","97.29","0.03","90","","3511","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Mo N P2 -","- C37 H39 Mo N P2 -","- C148 H156 Mo4 N4 P8 -","4","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0422","0.031","","","0.065","0.0683","","","","","","1.03","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555286","13.5747","0.0004","14.527","0.0004","15.6334","0.0005","90","","103.04","0.002","90","","3003.4","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N P2 W -","- C37 H39 N P2 W -","- C148 H156 N4 P8 W4 -","4","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0467","0.0301","","","0.0579","0.0642","","","","","","1.047","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555287","11.1529","0.001","12.0142","0.0012","14.645","0.0015","100.12","0.004","101.056","0.004","90.987","0.004","1893.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 Mo N O4 P2 -","- C43 H47 Mo N O4 P2 -","- C86 H94 Mo2 N2 O8 P4 -","2","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0472","0.0399","","","0.1047","0.1098","","","","","","1.044","","","","has coordinates,has disorder","238437","2020-10-21","18:00:00",""
"1555288","35.714","0.003","16.098","0.0013","15.0574","0.0012","90","","111.571","0.002","90","","8050.6","1.1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H39 Cl4 N O2 P2 W -","- C38 H39 Cl4 N O2 P2 W -","- C304 H312 Cl32 N8 O16 P16 W8 -","8","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0804","0.0677","","","0.1481","0.156","","","","","","1.192","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555289","13.1562","0.0007","14.2402","0.0007","21.7973","0.0012","74.258","0.002","74.58","0.002","65.252","0.002","3514.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Mo N O2 P2 -","- C43 H43 Mo N O2 P2 -","- C172 H172 Mo4 N4 O8 P8 -","4","2","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0595","0.0431","","","0.105","0.116","","","","","","1.055","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555290","11.1247","0.0005","11.9967","0.0006","14.6407","0.0007","100.37","0.002","100.905","0.002","90.773","0.002","1885.03","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 N O4 P2 W -","- C43 H47 N O4 P2 W -","- C86 H94 N2 O8 P4 W2 -","2","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0557","0.0577","","","","","","1.093","","","","has coordinates,has disorder","238437","2020-10-21","18:00:00",""
"1555292","9.501","0.003","16.731","0.005","9.633","0.002","90","","99.37","0.03","90","","1510.8","0.7","295.5","0.2","295.5","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Wen, Si; Lv, Weiwei; Ba, Dan; Liu, Jing; Cheng, Guolin","Ruthenium(ii)-catalyzed chemoselective deacylative annulation of 1,3-diones with sulfoxonium ylides via C‒C bond activation","Chemical Science","2019","10","39","9104","","10.1039/C9SC03245B","","x-ray","0.71073","MoKα","","0.1319","0.0932","","","0.2108","0.2718","","","","","","0.971","","","","has coordinates,has disorder","238439","2020-10-21","18:00:00",""
"1556080","11.2529","0.0005","12.5689","0.0005","14.178","0.0006","90","","101.369","0.001","90","","1965.94","0.14","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C70 H76 Cl4 F12 Fe2 N8 O12 S4 -","2","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0218","0.0211","","","0.0528","0.0532","","","","","","1.041","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556081","11.265","0.0005","16.5488","0.0007","23.0009","0.001","90","","90","","90","","4287.9","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C152 H176 Cl16 F24 Fe4 N16 O24 S8 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0613","0.0561","","","0.1523","0.1567","","","","","","1.051","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556082","21.5973","0.0008","5.0981","0.0002","17.5377","0.0007","90","","91.771","0.001","90","","1930.07","0.13","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C96 H104 N12 O4 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0302","0.0302","","","0.0798","0.0799","","","","","","1.048","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556083","8.63","0.005","15.205","0.007","12.2","0.009","90","","105.42","0.04","90","","1543.2","1.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","2","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0342","0.0342","","","0.0902","0.0903","","","","","","1.05","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556084","5.761","","15.9645","0.0001","20.7087","0.0002","90","","90","","90","","1904.61","0.02","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C88 H68 N4 O24 S4 -","4","1","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.029","0.0282","","","0.0784","0.0791","","","","","","1.037","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556085","6.6807","0.0002","19.9408","0.0007","14.2683","0.0004","90","","90","","90","","1900.8","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","0.5","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.0521","0.0489","","","0.1293","0.1328","","","","","","1.074","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556261","9.5947","0.0011","4.8799","0.0006","13.6316","0.0016","90","","94.414","0.002","90","","636.35","0.13","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 F6 N S -","- C13 H7 F6 N S -","- C26 H14 F12 N2 S2 -","2","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0759","0.079","","","","","","1.041","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556262","8.6198","0.0003","7.7249","0.0003","29.3919","0.0011","90","","91.201","0.001","90","","1956.69","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F4 N2 S -","- C24 H14 F4 N2 S -","- C96 H56 F16 N8 S4 -","4","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0581","0.0408","","","0.1","0.1097","","","","","","1.013","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556265","13.4362","0.0006","18.3994","0.0008","20.2998","0.0008","106.666","0.001","108.577","0.001","103.771","0.001","4246.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C152 H188 Cl12 F12 N12 O20 Pt4 S4 -","2","1","","Leung, Sam Ka-Ming; Chan, Alan Kwun-Wa; Leung, Sammual Yu-Lut; Leung, Ming-Yi; Yam, Vivian Wing-Wah","Supramolecular assembly of bent dinuclear amphiphilic alkynylplatinum(ii) terpyridine complexes: diverse nanostructures through subtle tuning of the mode of molecular stacking.","Chemical science","2020","11","2","499","507","10.1039/c9sc04475b","","","0.71073","MoKα","","0.0995","0.0573","","","0.1129","0.1325","","","","","","1.069","","","","has coordinates,has disorder","250225","2020-10-21","18:00:00",""
"1556344","23.8831","0.0004","20.6857","0.0003","20.2699","0.0003","90","","92.546","0.001","90","","10004.2","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H253 Br7 Co6 O75 Ti27 -","- C107.94 H244.86 Br7 Co6 O75 Ti27 -","- C215.88 H489.72 Br14 Co12 O150 Ti54 -","2","0.5","","Lv, Yaokang; Willkomm, Janina; Steiner, Alexander; Gan, Lihua; Reisner, Erwin; Wright, Dominic S.","Encapsulation of a ‘naked’ Br− anion in a polyoxotitanate host","Chemical Science","2012","3","8","2470","","10.1039/c2sc20193c","","","0.71073","MoKα","","0.1064","0.0785","","","0.2167","0.2382","","","","","","0.971","","","","has coordinates,has disorder","244372","2020-10-21","18:00:00",""
"1556345","11.3168","0.0003","13.0498","0.0003","19.2278","0.0004","95.398","0.0019","103.654","0.002","97.2625","0.0019","2714.5","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C22.5 H27 Cl F6 I N2 O2 Os P -","- C22.5 H26 Cl F6 I N2 O2 Os P -","- C90 H104 Cl4 F24 I4 N8 O8 Os4 P4 -","4","2","","Fu, Ying; Romero, María J.; Habtemariam, Abraha; Snowden, Michael E.; Song, Lijiang; Clarkson, Guy J.; Qamar, Bushra; Pizarro, Ana M.; Unwin, Patrick R.; Sadler, Peter J.","The contrasting chemical reactivity of potent isoelectronic iminopyridine and azopyridine osmium(ii) arene anticancer complexes","Chemical Science","2012","3","8","2485","","10.1039/c2sc20220d","","","0.71073","MoKα","","0.045","0.0332","","","0.0793","0.0817","","","","","","1.061","","","","has coordinates,has disorder","244373","2020-10-21","18:00:00",""
"1556346","7.9553","0.0006","7.9553","0.0006","18.7605","0.0013","90","","90","","90","","1187.29","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(H2im)2SO4.2H2O","IMIDAZOLIUM SULFATE DIHYDRATE","","- C6 H14 N4 O6 S -","- C6 H14 N4 O6 S -","- C24 H56 N16 O24 S4 -","4","0.5","","Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav","Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal‒organic materials","Chemical Science","2012","3","8","2495","","10.1039/c2sc20344h","","","0.71073","MoKα","","0.0274","0.0256","","","0.0701","0.0711","","","","","","1.102","","","","has coordinates","244374","2020-10-21","18:00:00",""
"1556347","17.5328","0.0003","30.3514","0.0005","49.1818","0.0008","90","","90","","90","","26171.9","0.8","298","2","298","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C144 Cu6 O42 P3 -","- C144 Cu6 O42 P3 -","- C288 Cu12 O84 P6 -","2","0.25","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0895","0.065","","","0.1796","0.1907","","","","","","1.083","","","","has coordinates,has disorder","244375","2020-10-21","18:00:00",""
"1556348","24.4616","0.0004","24.4616","0.0004","71.8721","0.0012","90","","90","","90","","43006.1","1.2","298","2","298","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C48 H24 Cu2 O14 P -","- C48 H24 Cu2 O14 P -","- C384 H192 Cu16 O112 P8 -","8","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0408","0.0271","","","0.0501","0.053","","","","","","0.811","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556349","18.744","0.0008","18.744","0.0008","29.259","0.0012","90","","90","","90","","10279.8","0.8","296","2","296","2","","","","","","","","3","P 42 2 2","P 4c 2","93","","","","- C26 Cu O5 -","- C26 Cu O6 -","- C104 Cu4 O24 -","4","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.2003","0.164","","","0.4129","0.438","","","","","","1.276","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556350","14.7976","0.0003","23.2598","0.0005","20.8144","0.0004","90","","92.145","0.002","90","","7159.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H75 K N7 Nd O10 -","- C79 H75 K N7 Nd O10 -","- C316 H300 K4 N28 Nd4 O40 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0853","0.0469","","","0.0937","0.1061","","","","","","1.021","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556351","16.1709","0.0013","17.5403","0.0013","19.5362","0.0015","90.671","0.006","113.704","0.007","96.867","0.006","5026.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.1 H150.89 K N4 Nd O12 -","- C108.094 H150.886 K N4 Nd O12 -","- C216.188 H301.772 K2 N8 Nd2 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1413","0.0706","","","0.1354","0.1475","","","","","","0.963","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556352","15.6191","0.0005","27.7932","0.0008","19.045","0.0006","90","","97.395","0.003","90","","8198.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C355 H283 K18 N47 Nd6 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0914","0.0626","","","0.1206","0.1355","","","","","","1.054","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556353","14.5693","0.0013","30.262","0.003","14.6011","0.0013","90","","108.494","0.009","90","","6105.1","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 K3 N9 O4 Tb -","- C65 H53 K3 N9 O4 Tb -","- C260 H212 K12 N36 O16 Tb4 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1479","0.1004","","","0.2392","0.2722","","","","","","1.055","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556354","14.0578","0.0005","12.1559","0.0004","19.078","0.0007","90","","89.466","0.004","90","","3260","0.2","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C64 H78 I K2 N4 Nd O16 -","- C64 H78 I K2 N4 Nd O16 -","- C128 H156 I2 K4 N8 Nd2 O32 -","2","0.5","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0937","0.0654","","","0.1776","0.1999","","","","","","1.074","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556355","13.3718","0.0003","15.0596","0.0003","19.3034","0.0004","90","","102.603","0.002","90","","3793.54","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H45.5 K N3.5 Nd O8 -","- C39.5 H45.5 K N3.5 Nd O8 -","- C158 H182 K4 N14 Nd4 O32 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0613","0.0384","","","0.0731","0.0796","","","","","","1.036","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556356","11.3941","0.0002","12.6121","0.0002","14.341","0.0002","66.008","0.001","82.323","0.001","66.713","0.001","1728.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","1","0.5","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0458","0.0408","","","0.1111","0.1159","","","","","","1.063","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556357","20.4091","0.0011","16.3489","0.0009","26.2219","0.0018","90","","111.97","0.001","90","","8114","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C87 H114 O2 P8 Pt2 -","- C87 H114 O2 P8 Pt2 -","- C348 H456 O8 P32 Pt8 -","4","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0459","0.0329","","","0.0571","0.0612","","","","","","1.015","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556358","12.3521","0.0003","14.0198","0.0003","23.3487","0.0005","74.059","0.001","80.729","0.001","82.851","0.001","3823.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H106 O P8 Pd2 -","- C83 H106 O P8 Pd2 -","- C166 H212 O2 P16 Pd4 -","2","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0594","0.0539","","","0.1587","0.1624","","","","","","1.264","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556359","23.055","0.0002","23.055","0.0002","31.0318","0.0004","90","","90","","120","","14284.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C108 H126 Ni2 P8 -","- C108 H126 Ni2 P8 -","- C648 H756 Ni12 P48 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0376","0.0327","","","0.0855","0.0905","","","","","","1.032","","","","has coordinates","244377","2020-10-21","18:00:00",""
"1556360","23.0523","0.0008","23.0523","0.0008","31.4482","0.0011","90","","90","","120","","14472.9","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H126 As2 Ni2 P6 -","- C108 H126 As2 Ni2 P6 -","- C648 H756 As12 Ni12 P36 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0368","0.0277","","","0.0695","0.0766","","","","","","1.028","","","","has coordinates","244377","2020-10-21","18:00:00",""
"1556361","9.307","0.0001","11.3957","0.0001","19.4004","0.0002","87.957","0.001","81.71","0.001","71.96","0.001","1935.92","0.04","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1822","","","- C44 H54 Mg N2 O -","- C44 H54 Mg N2 O -","- C88 H108 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0846","0.0491","","","0.1284","0.147","","","","","","1.038","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556362","9.2133","0.0001","12.1983","0.0001","15.8164","0.0002","85.663","0.001","78.098","0.001","87.241","0.001","1733.39","0.03","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1825","","","- C37 H58 Mg N2 O -","- C37 H58 Mg N2 O -","- C74 H116 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0632","0.0427","","","0.1078","0.118","","","","","","1.037","","","","has coordinates","244378","2020-10-21","18:00:00",""
"1556363","18.122","0.0002","14.9771","0.0002","18.2681","0.0002","90","","103.969","0.001","90","","4811.6","0.1","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Chisholm 1828","","","- C52 H70 Mg N2 O4 -","- C52 H70 Mg N2 O4 -","- C208 H280 Mg4 N8 O16 -","4","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.1069","0.0602","","","0.1608","0.1876","","","","","","1.028","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556364","18.4898","0.0003","18.3357","0.0003","12.0991","0.0002","90","","123.001","0.001","90","","3440.09","0.11","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","Chisholm 1855","","","- C72 H114 Mg2 N4 O2 -","- C72 H114 Mg2 N4 O2 -","- C144 H228 Mg4 N8 O4 -","2","0.25","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0837","0.0596","","","0.1595","0.1745","","","","","","1.037","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556365","28.1795","0.0007","14.8684","0.0004","8.9668","0.0002","90","","90","","90","","3756.95","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H50 Dy3 N8 O21 -","- C22 H49 Dy3 N8 O21 -","- C88 H196 Dy12 N32 O84 -","4","1","","Wang, Yu-Xia; Shi, Wei; Li, Han; Song, You; Fang, Liang; Lan, Yanhua; Powell, Annie K.; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Shen, Mingrong; Cheng, Peng","A single-molecule magnet assembly exhibiting a dielectric transition at 470 K","Chemical Science","2012","3","12","3366","","10.1039/c2sc21023a","","","0.71073","MoKα","","0.0412","0.0404","","","0.0987","0.0993","","","","","","1.06","","","","has coordinates","244379","2020-10-21","18:00:00",""
"1556366","10.762","0.0003","11.0051","0.0003","25.8757","0.0009","85.0791","0.0015","82.5425","0.0016","64.607","0.0015","2743.58","0.15","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H35 N O7 P Si2 W -","- C19 H35 N O7 P Si2 W -","- C76 H140 N4 O28 P4 Si8 W4 -","4","2","","Schulten, Christian; von Frantzius, Gerd; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Deoxygenation of carbon dioxide by electrophilic terminal phosphinidene complexes","Chemical Science","2012","3","12","3526","","10.1039/c2sc21081a","","","0.71073","MoKα","","0.0791","0.0391","","","0.0644","0.0727","","","","","","0.878","","","","has coordinates","244380","2020-10-21","18:00:00",""
"1556367","6.2648","0.0002","8.9839","0.0003","20.5622","0.0005","90","","95.46","0.001","90","","1152.04","0.06","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C48 H36 F12 N8 O4 -","4","1","","Feng, Chao; Loh, Teck-Peng","Copper-catalyzed olefinic trifluoromethylation of enamides at room temperature","Chemical Science","2012","3","12","3458","","10.1039/c2sc21164e","","","0.71073","MoKα","","0.0588","0.0454","","","0.1258","0.1427","","","","","","1.088","","","","has coordinates","244381","2020-10-21","18:00:00",""
"1556368","11.3277","0.0018","18.234","0.003","15.932","0.003","90","","97.573","0.002","90","","3262","1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C98 H100 Cl12 F48 N20 O4 P8 Ru4 -","4","1","","Ohzu, Shingo; Ishizuka, Tomoya; Hirai, Yuichirou; Jiang, Hua; Sakaguchi, Miyuki; Ogura, Takashi; Fukuzumi, Shunichi; Kojima, Takahiko","Mechanistic insight into catalytic oxidations of organic compounds by ruthenium(iv)-oxo complexes with pyridylamine ligands","Chemical Science","2012","3","12","3421","","10.1039/c2sc21195e","","","0.71073","MoKα","","0.0753","0.0512","","","0.1262","0.1407","","","","","","1.033","","","","has coordinates,has disorder","244382","2020-10-21","18:00:00",""
"1556369","11.892","0.003","7.5168","0.0013","17.092","0.004","90","","95.099","0.008","90","","1521.8","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","1.54187","CuKα","","","0.1086","","","","0.3165","","","","","","1.465","","","","has coordinates","244383","2020-10-21","18:00:00",""
"1556370","19.168","0.013","6.189","0.005","8.461","0.005","90","","90","","90","","1003.7","1.2","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","0.5","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","0.71075","MoKα","","","0.1057","","","","0.2968","","","","","","1.134","","","","has coordinates","244383","2020-10-21","18:00:00",""
"1556406","16.615","0.004","27.205","0.005","13.426","0.003","90","","112.678","0.004","90","","5600","2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CT-1?DMF","(HHTP)(HAT-CN)(6DMF)","","- C54 H54 N18 O12 -","- C54 H54 N18 O12 -","- C216 H216 N72 O48 -","4","1","","Nakashima, Kensuke; Shimizu, Takeshi; Kamakura, Yoshinobu; Hinokimoto, Akira; Kitagawa, Yasutaka; Yoshikawa, Hirofumi; Tanaka, Daisuke","A new design strategy for redox-active molecular assemblies with crystalline porous structures for lithium-ion batteries.","Chemical science","2020","11","1","37","43","10.1039/c9sc04175c","","","0.71075","MoKα","","0.101","0.0619","","","0.1618","0.1931","","","","","","0.995","","","","has coordinates,has disorder","250218","2020-10-21","18:00:00",""
"1556409","10.6925","0.0003","19.6374","0.0005","17.0321","0.0005","90","","101.118","0.003","90","","3509.16","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[{(Mes)N}(OCP)C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C37 H47 B N3 O P -","- C37 H47 B N3 O P -","- C148 H188 B4 N12 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0666","0.0567","","","0.1564","0.1675","","","","","","1.071","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556410","10.6744","0.0003","13.4621","0.0004","14.8146","0.0004","82.534","0.002","88.654","0.002","84.679","0.002","2101.57","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[{(Mes)N}{(Mes)NCP}C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C46 H58 B N4 P -","- C46 H58 B N4 P -","- C92 H116 B2 N8 P2 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.044","0.0363","","","0.0914","0.0969","","","","","","1.041","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556411","17.2385","0.0002","10.9928","0.0001","33.0859","0.0004","90","","96.506","0.001","90","","6229.38","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{(tBu)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C31 H45 B N3 P -","- C31 H45 B N3 P -","- C248 H360 B8 N24 P8 -","8","2","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0756","0.0641","","","0.1842","0.1946","","","","","","1.11","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556412","13.0269","0.0002","14.1779","0.0001","14.8915","0.0002","90","","112.746","0.001","90","","2536.47","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(PB[{N(2,6-iPr-C6H3)}2(CH)2])2","","- C52 H72 B2 N4 P2 -","- C52 H72 B2 N4 P2 -","- C104 H144 B4 N8 P4 -","2","0.5","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0433","0.037","","","0.0967","0.1016","","","","","","1.037","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556413","18.9679","0.0003","7.4054","0.0001","25.1568","0.0003","90","","107.29","0.001","90","","3373.97","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{(Mes)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C36 H47 B N3 P -","- C36 H47 B N3 P -","- C144 H188 B4 N12 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0537","0.0471","","","0.1227","0.1283","","","","","","1.048","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556414","14.0563","0.0004","14.7947","0.0004","20.1864","0.0005","73.781","0.002","76.257","0.002","67.558","0.002","3684.82","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[(Me2IPr)C(O)CPB[{N(2,6-iPr-C6H3)}2(CH)2]PoB[{N(2,6-iPr-C6H3)}2(CH)2]*1.5hex","","- C74 H113 B2 N6 O2 P2 -","- C74 H113 B2 N6 O2 P2 -","- C148 H226 B4 N12 O4 P4 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.064","0.0523","","","0.1399","0.1508","","","","","","1.043","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556415","9.3904","0.0001","14.2038","0.0001","20.3914","0.0002","90","","99.177","0.001","90","","2684.98","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(OCP)B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C27 H36 B N2 O P -","- C27 H36 B N2 O P -","- C108 H144 B4 N8 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0459","0.04","","","0.1051","0.1106","","","","","","1.017","","","","has coordinates,has disorder","257423","2020-10-21","18:00:00",""
"1556534","11.2525","0.0002","9.2194","0.00013","59.1397","0.0009","90","","93.8053","0.0014","90","","6121.7","0.17","100.03","0.11","100.03","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TPE-Py","TPE-EP-G","","- C34.5 H29 Cl F6 N P -","- C34.5 H29 Cl F6 N P -","- C276 H232 Cl8 F48 N8 P8 -","8","2","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0744","0.0623","","","0.1501","0.1577","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556535","24.8939","0.0007","9.1783","0.0002","12.5794","0.0003","90","","98.168","0.003","90","","2845.03","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TPE-Py","TPE-EP-Y","","- C34 H28 F6 N P -","- C34 H28 F6 N P -","- C136 H112 F24 N4 P4 -","4","1","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0932","0.0869","","","0.2128","0.2163","","","","","","1.019","","","","has coordinates,has disorder","257316","2020-10-21","18:00:00",""
"1556536","6.345","0.0002","14.5492","0.0005","16.7909","0.0007","90","","90","","90","","1550.05","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N2 O5 Re -","- C15 H13 N2 O5 Re -","- C60 H52 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0517","0.0239","","","0.0424","0.0501","","","","","","1","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556537","9.1929","0.0005","13.3161","0.0007","11.3352","0.0006","90","","106.8","0.002","90","","1328.36","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O5 Re -","- C13 H9 N2 O5 Re -","- C52 H36 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0175","0.0145","","","0.0302","0.0309","","","","","","1.068","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556538","8.5304","0.0005","8.156","0.0005","22.7941","0.0015","90","","96.365","0.002","90","","1576.1","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O4 Re S -","- C15 H12 N O4 Re S -","- C60 H48 N4 O16 Re4 S4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0285","0.0207","","","0.0355","0.0372","","","","","","1.051","","","","has coordinates","257305","2020-10-21","18:00:00",""
"1556539","20.753","0.002","7.0352","0.0008","13.7941","0.0018","90","","105.388","0.007","90","","1941.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H15 Cl N O5 Re -","- C20.5 H15 Cl N O5 Re -","- C82 H60 Cl4 N4 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0535","0.0376","","","0.0759","0.0815","","","","","","1.049","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556540","9.108","0.0005","9.5099","0.0005","9.7673","0.0005","70.669","0.002","80.012","0.002","61.781","0.002","703.28","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O6 Re -","- C13 H11 N2 O6 Re -","- C26 H22 N4 O12 Re2 -","2","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0233","0.02","","","0.0378","0.0387","","","","","","1.047","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556629","13.5004","0.0007","5.6062","0.0002","15.1666","0.0008","90","","104.738","0.0015","90","","1110.13","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-fluoro-1,3-dimethyl-9H-fluorene","","- C15 H13 F -","- C15 H13 F -","- C60 H52 F4 -","4","1","","Fu, Wai Chung; Kwong, Fuk Yee","A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes","Chemical Science","2020","11","5","1411","1417","10.1039/C9SC04062E","","","0.71073","MoKα","","0.0605","0.0451","","","0.1128","0.1245","","","","","","1.034","","","","has coordinates","257304","2020-10-21","18:00:00",""
"1556630","11.9227","0.0003","17.3502","0.0004","17.7857","0.0004","90","","90.611","0.001","90","","3678.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br N5 O5 -","- C40 H50 Br N5 O5 -","- C160 H200 Br4 N20 O20 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","","1.54178","CuKα","","0.0897","0.0814","","","0.2343","0.2467","","","","","","1.027","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556631","10.8554","0.0002","18.2505","0.0002","12.2873","0.0002","90","","105.01","0.001","90","","2351.26","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl N2 O -","- C29 H27 Cl N2 O -","- C116 H108 Cl4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0555","0.0474","","","0.129","0.1396","","","","","","1.044","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556632","10.2078","0.0003","19.152","0.0005","18.9514","0.0004","90","","94.804","0.002","90","","3691.98","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Br N3 O -","- C46 H42 Br N3 O -","- C184 H168 Br4 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.087","0.0701","","","0.1909","0.2129","","","","","","1.044","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556633","9.0448","0.0004","14.0503","0.0006","18.8685","0.0006","90","","102.053","0.004","90","","2344.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0727","0.0527","","","0.1432","0.1669","","","","","","1.032","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556634","14.485","0.0005","10.8239","0.0005","16.4134","0.0007","90","","90.869","0.003","90","","2573.07","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Br N2 O -","- C31 H31 Br N2 O -","- C124 H124 Br4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0603","0.0444","","","0.1123","0.1261","","","","","","1.015","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556635","11.80408","0.00014","18.74504","0.00018","31.2581","0.0004","90","","79.1361","0.0011","90","","6792.46","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N5 O5 -","- C39 H39 N5 O5 -","- C312 H312 N40 O40 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0596","0.0516","","","0.14","0.1465","","","","","","1.038","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556636","13.58053","0.00011","20.7753","0.0002","29.2921","0.0003","90","","102.897","0.0009","90","","8055.96","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl2 N3 O -","- C45 H39 Cl2 N3 O -","- C360 H312 Cl16 N24 O8 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.1448","0.1225","","","0.3481","0.378","","","","","","1.431","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556642","10.6022","0.0005","10.6218","0.0005","20.1023","0.001","94.418","0.002","99.288","0.002","100.371","0.002","2184.47","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H67 B2 P3 -","- C50 H67 B2 P3 -","- C100 H134 B4 P6 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0385","0.0349","","","0.0842","0.0866","","","","","","1.058","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556643","10.5062","0.0008","17.5469","0.0013","36.649","0.003","90","","90","","90","","6756.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C272 H384 B16 Br8 P24 -","8","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0353","0.0294","","","0.0698","0.0727","","","","","","1.057","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556644","11.8091","0.0005","16.5734","0.0007","17.4767","0.0008","90","","107.828","0.002","90","","3256.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C136 H192 B8 Br4 P12 -","4","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0572","0.0391","","","0.1118","0.1289","","","","","","0.9","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556645","28.3736","0.0016","57.198","0.003","10.0055","0.0005","90","","90","","90","","16238.1","1.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H55 B2 Br N2 P2 -","- C40 H55 B2 Br N2 P2 -","- C640 H880 B32 Br16 N32 P32 -","16","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0483","0.0368","","","0.0701","0.0752","","","","","","0.974","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556646","11.3635","0.0004","13.09","0.0005","19.2394","0.0006","89.968","0.001","76.353","0.001","70.181","0.001","2606.41","0.16","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H71 B2 N4 P -","- C58 H71 B2 N4 P -","- C116 H142 B4 N8 P2 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.066","0.0521","","","0.1174","0.127","","","","","","1.031","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556647","16.8585","0.0005","9.6751","0.0003","15.4623","0.0005","90","","111.832","0.001","90","","2341.14","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B F10 N -","- C26 H18 B F10 N -","- C104 H72 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0547","0.045","","","0.0975","0.1024","","","","","","1.099","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556648","8.3209","0.0003","11.319","0.0005","19.7803","0.0008","99.399","0.001","98.04","0.001","104.051","0.001","1751.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B F10 P -","- C44 H30 B F10 P -","- C88 H60 B2 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","0.71073","MoKα","","0.0677","0.0536","","","0.105","0.1107","","","","","","1.106","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556649","9.724","0.0003","14.9525","0.0004","16.4897","0.0005","90","","90","","90","","2397.57","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F10 N -","- C27 H20 B F10 N -","- C108 H80 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0578","0.0457","","","0.0892","0.0946","","","","","","1.06","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556650","11.605","0.0003","20.1373","0.0004","17.8823","0.0004","90","","102.818","0.002","90","","4074.83","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C184 H152 B4 Cl8 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0694","0.051","","","0.1341","0.1472","","","","","","1.026","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556651","11.1982","0.0012","11.5411","0.0013","16.5533","0.0016","96.789","0.006","96.943","0.007","106.576","0.007","2009","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C92 H76 B2 Cl4 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.097","0.0599","","","0.1448","0.1685","","","","","","1.09","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556652","12.2953","0.0003","14.3056","0.0003","20.8746","0.0005","90","","100.3","0.001","90","","3612.5","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 B F10 P -","- C39 H28 B F10 P -","- C156 H112 B4 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0414","0.0359","","","0.0876","0.0909","","","","","","1.022","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556653","6.4255","0.0004","17.461","0.001","21.2763","0.0013","90","","95.037","0.004","90","","2377.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F10 -","- C27 H21 B F10 -","- C108 H84 B4 F40 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0544","0.0402","","","0.0943","0.1007","","","","","","1.056","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556654","12.4783","0.0005","15.7635","0.0006","20.7617","0.0007","102.312","0.002","93.184","0.002","112.263","0.002","3650.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 B F10 P -","- C40 H30 B F10 P -","- C160 H120 B4 F40 P4 -","4","2","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0697","0.0475","","","0.1127","0.1227","","","","","","1.035","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556655","9.0564","0.001","10.3497","0.0009","21.915","0.002","91.873","0.006","96.63","0.007","96.996","0.006","2022.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H24 B2 F20 N2 -","- C43 H24 B2 F20 N2 -","- C86 H48 B4 F40 N4 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.114","0.0597","","","0.14","0.1703","","","","","","1.021","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556673","19.7106","0.0002","9.9489","0.0001","22.7748","0.0002","90","","99.808","0.001","90","","4400.83","0.07","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(DPFN)Cu2(MeCP)](NTf2)2","","","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C144 H92 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","1.39222","CuKβ","","0.0369","0.0327","","","0.1036","0.113","","","","","","0.618","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556674","12.5211","0.0004","14.8116","0.0005","15.6245","0.0005","76.518","0.002","67.701","0.002","76.651","0.002","2574.23","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","mszxr090","","","- C42 H34 Cu2 F14 N8 O9 S4 -","- C42 H34 Cu2 F14 N8 O9 S4 -","- C84 H68 Cu4 F28 N16 O18 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.71073","MoKα","","0.0443","0.0346","","","0.0766","0.0818","","","","","","1.057","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556675","12.4499","0.0007","12.637","0.0006","18.5946","0.0009","89.354","0.002","84.84","0.002","72.243","0.002","2774.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(DPFN)Cu2tBuCP](NTf2)2","","","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C86 H78 Cu4 F28 N16 O18 P2 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.1446","0.1273","","","0.395","0.4173","","","","","","1.888","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556676","10.918","0.0004","20.4455","0.0007","23.1939","0.0008","90","","90","","90","","5177.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(DPFN)Cu2AdCN](NTf2)2","","","- C45 H35 Cu2 F14 N9 O8 S4 -","- C45 H35 Cu2 F14 N9 O8 S4 -","- C180 H140 Cu8 F56 N36 O32 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0538","0.0503","","","0.1329","0.1374","","","","","","1.058","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556677","18.6915","0.0008","16.5896","0.0007","18.8035","0.0009","90","","96.346","0.002","90","","5794.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[(DPFN)Cu2PCAd](NTf2)2","","","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C180 H140 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0853","0.0748","","","0.2019","0.2109","","","","","","1.028","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556703","22.2613","0.001","26.916","0.0012","28.2117","0.001","83.387","0.003","73.393","0.003","69.33","0.004","15154.3","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65.25 N4 O8 S2 -","- C65.25 N4 O8 S2 -","- C522 N32 O64 S16 -","8","4","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","","1.54184","CuKα","","0.2897","0.2079","","","0.456","0.4898","","","","","","1.216","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556704","22.0328","0.001","21.2168","0.0007","33.589","0.003","90","","102.198","0.005","90","","15347.2","1.6","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 N4 O8 S3 -","- C37 N4 O8 S3 -","- C148 N16 O32 S12 -","4","2","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","x-ray","1.54184","CuKα","","0.2265","0.1541","","","0.3571","0.407","","","","","","1.025","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556719","7.2702","0.0008","8.7819","0.0009","13.6782","0.0008","98.564","0.007","100.026","0.007","104.633","0.01","814.84","0.14","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C42 H38 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0559","0.0436","","","0.1046","0.1158","","","","","","1.032","","","","has coordinates,has disorder","257308","2020-10-21","18:00:00",""
"1556720","11.42288","0.00017","8.41061","0.00012","28.0872","0.0003","90","","100.454","0.0013","90","","2653.64","0.06","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0404","0.0337","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556721","5.81156","0.00011","17.547","0.0003","18.1227","0.0003","90","","90","","90","","1848.07","0.06","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C96 H76 N4 O4 S4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0676","0.0684","","","","","","1.046","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556722","7.4225","0.00012","9.90594","0.00016","19.5109","0.0003","90","","90","","90","","1434.57","0.04","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0605","0.0619","","","","","","1.099","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556723","8.7543","0.0005","9.971","0.0006","11.6327","0.0006","81.846","0.004","74.281","0.005","81.076","0.005","960.27","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C50 H42 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0334","0.0318","","","0.0796","0.0808","","","","","","1.052","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556844","9.6381","0.0005","11.485","0.0006","19.0369","0.0009","85.238","0.004","75.946","0.004","75.838","0.005","1981.44","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 B N2 O2 -","- C45 H57 B N2 O2 -","- C90 H114 B2 N4 O4 -","2","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Das, Arpan; Ahmed, Jasimuddin; P., Sreejyothi; Mandal, Swadhin K.","Transition metal-free catalytic reduction of primary amides using an abnormal NHC based potassium complex: integrating nucleophilicity with Lewis acidic activation","Chemical Science","2020","11","7","1848","1854","10.1039/C9SC05953A","","x-ray","1.54184","CuKα","","0.0626","0.0484","","","0.1208","0.1314","","","","","","1.019","","","","has coordinates","257362","2020-10-21","18:00:00",""
"1556845","21.515","0.0017","24.1156","0.0017","35.321","0.003","81.037","0.004","78.006","0.004","68.595","0.004","16625","2","170","","170","","","","","","","","","10","P -1","-P 1","2","","","","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C488 H654 Ag62 Cl10 F48 O4 P12 Pt2 S32 Sb8 -","2","1","","Kang, Xi; Jin, Shan; Xiong, Lin; Wei, Xiao; Zhou, Manman; Qin, Chenwanli; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Nanocluster growth <i>via</i> ""graft-onto"": effects on geometric structures and optical properties.","Chemical science","2020","11","6","1691","1697","10.1039/c9sc05700e","","","0.71073","MoKα","","0.1297","0.0746","","","0.1872","0.2093","","","","","","1.061","","","","has coordinates","250235","2020-10-21","18:00:00",""
"1556846","5.6044","0.0001","9.5819","0.0002","26.472","0.0005","90","","90","","90","","1421.57","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F9 O2 -","- C11 H13 F9 O2 -","- C44 H52 F36 O8 -","4","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0508","0.0493","","","0.1393","0.1416","","","","","","1.064","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556847","4.9029","0.0001","9.8824","0.0002","10.7838","0.0003","90","","100.543","0.003","90","","513.68","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 F6 O3 -","- C7 H10 F6 O3 -","- C14 H20 F12 O6 -","2","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0892","0.0897","","","","","","1.08","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556860","19.2423","0.0008","10.9261","0.0005","21.5899","0.001","90","","106.046","0.002","90","","4362.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl F5 N4 Ni -","- C45 H44 Cl F5 N4 Ni -","- C180 H176 Cl4 F20 N16 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0526","0.0443","","","0.1209","0.1273","","","","","","1.031","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556861","12.0799","0.0004","14.6404","0.0005","24.1769","0.001","90","","91.408","0.002","90","","4274.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 F5 N3 Ni -","- C45 H50 F5 N3 Ni -","- C180 H200 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0595","0.0392","","","0.089","0.0961","","","","","","1.032","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556862","9.5949","0.0007","11.8426","0.001","18.3253","0.0014","92.953","0.003","104.293","0.002","100.626","0.002","1972.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 F5 N3 Ni -","- C44 H45 F5 N3 Ni -","- C88 H90 F10 N6 Ni2 -","2","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","0.71073","MoKα","","0.0722","0.0517","","","0.1334","0.1477","","","","","","1.044","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556863","14.1294","0.0009","16.6197","0.0008","15.8282","0.0008","90","","90","","90","","3716.9","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H49 F5 N3 Ni -","- C45 H49 F5 N3 Ni -","- C180 H196 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.1623","0.0792","","","0.18","0.2265","","","","","","1.037","","","","has coordinates,has disorder","257307","2020-10-21","18:00:00",""
"1556864","17.7017","0.0003","15.1269","0.0002","13.141","0.0002","90","","109.571","0.002","90","","3315.5","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 F5 N3 Ni -","- C40 H39 F5 N3 Ni -","- C160 H156 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0558","0.0444","","","0.1174","0.1266","","","","","","1.036","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556865","8.2007","0.0005","7.7793","0.0005","24.6164","0.0018","90","","90","","90","","1570.42","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 I2 N2 O7 -","- C12 H8 I2 N2 O7 -","- C48 H32 I8 N8 O28 -","4","1","","Zhang, Guangtao; Wang, Yuanxun; Xu, Jun; Sun, Jiyun; Sun, Fengxia; Zhang, Yilin; Zhang, Chenglin; Du, Yunfei","A new hypervalent iodine(iii/v) oxidant and its application to the synthesis of 2H-azirines","Chemical Science","2020","11","4","947","953","10.1039/C9SC05536C","","x-ray","1.54184","CuKα","","0.0662","0.0533","","","0.1252","0.1323","","","","","","1.098","","","","has coordinates","257317","2020-10-21","18:00:00",""
"1556866","9.035","0.0004","12.0924","0.0006","14.7514","0.0007","92.899","0.002","103.022","0.002","103.134","0.002","1520.32","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 B2 -","- C36 H50 B2 -","- C72 H100 B4 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0857","0.0708","","","0.1918","0.209","","","","","","1.224","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556867","10.6036","0.0003","17.5824","0.0005","17.446","0.0005","90","","125.621","0.001","90","","2643.98","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TMB + diphenylketene","","","- C32 H35 B O -","- C32 H35 B O -","- C128 H140 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.066","0.0561","","","0.1369","0.1426","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556868","10.0358","0.0004","12.1076","0.0006","43.226","0.002","90","","90","","90","","5252.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 B O -","- C34 H31 B O -","- C272 H248 B8 O8 -","8","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0605","0.0542","","","0.1396","0.1484","","","","","","1.19","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556869","11.5545","0.001","17.3432","0.0016","25.028","0.002","90","","95.757","0.002","90","","4990.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H60 Cl2 N4 O2 Ru -","- C60 H58 N4 O2 Ru -","- C240 H232 N16 O8 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.071","0.049","","","0.0905","0.0977","","","","","","1.061","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556870","11.0536","0.0007","11.1353","0.0007","11.8926","0.0007","97.46","0.003","108.927","0.004","107.647","0.003","1276.53","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","1","0.5","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.0567","0.0517","","","0.127","0.1315","","","","","","1.107","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556871","10.5317","0.0015","14.347","0.002","17.434","0.003","76.71","0.005","80.147","0.004","84.826","0.004","2522.3","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H27 F20 Fe N5 -","- C59 H27 F20 Fe N5 -","- C118 H54 F40 Fe2 N10 -","2","2","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1307","0.0898","","","0.2437","0.2779","","","","","","1.082","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556872","11.3588","0.0011","13.5043","0.0014","16.5422","0.0015","85.786","0.003","84.24","0.003","70.986","0.003","2384.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H50 Cl3 D Fe N4 -","- C58 H50 Fe N4 -","- C116 H100 Fe2 N8 -","2","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.0904","0.0588","","","0.1175","0.1308","","","","","","1.029","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556873","24.815","0.006","20.891","0.005","24.043","0.005","90","","100.174","0.007","90","","12268","5","149","2","149","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H39.5 F20 N8 Ru -","- C64 H36 F20 N8 Ru -","- C512 H288 F160 N64 Ru8 -","8","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1462","0.1093","","","0.2887","0.3252","","","","","","1.194","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556874","21.313","0.006","9.951","0.003","24.687","0.006","90","","107.778","0.011","90","","4986","2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Cu F12 N6 O2 P2 -","- C48 H54 Cu F12 N6 O2 P2 -","- C192 H216 Cu4 F48 N24 O8 P8 -","4","1","","Ryan, Michael C.; Kim, Yeon Jung; Gerken, James B.; Wang, Fei; Aristov, Michael M.; Martinelli, Joseph R.; Stahl, Shannon S.","Mechanistic insights into copper-catalyzed aerobic oxidative coupling of N‒N bonds","Chemical Science","2020","11","4","1170","1175","10.1039/C9SC04305E","","x-ray","0.71073","MoKα","","0.0327","0.0275","","","0.0698","0.0725","","","","","","1.035","","","","has coordinates,has disorder","257312","2020-10-21","18:00:00",""
"1556875","33.357","0.0002","32.3478","0.0003","45.8124","0.0003","90","","102.32","0.001","90","","48294.4","0.6","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6 -","- C303 H387.9 B98.4 F18 Fe4 N55.5 O36 S6 -","- C1212 H1551.6 B393.6 F72 Fe16 N222 O144 S24 -","4","1","","Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R.","Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage","Chemical Science","2020","11","4","1097","1101","10.1039/C9SC05728E","","","0.6889","Synchrotron","","0.1256","0.103","","","0.2631","0.2822","","","","","","1.027","","","","has coordinates,has disorder","257314","2020-10-21","18:00:00",""
"1556876","7.7711","0.0003","10.3961","0.0004","12.6341","0.0005","113.062","0.002","96.284","0.002","98.114","0.002","914.39","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.0343","0.0271","","","0.0569","0.059","","","","","","1.081","","","","has coordinates","257313","2020-10-21","18:00:00",""
"1556877","12.734","0.002","31.568","0.005","18.543","0.003","90","","107.358","0.003","90","","7115","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C240 H176 B4 F96 Fe4 O4 S16 Sn4 -","2","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.1035","0.0678","","","0.1719","0.1966","","","","","","1.028","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556878","9.5804","0.0015","23.505","0.004","30.294","0.005","90","","97.92","0.004","90","","6756.8","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C228 H214 B4 F96 N2 O2 S32 Sn8 -","4","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.1244","0.082","","","0.1755","0.1992","","","","","","1.065","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556879","40.752","0.003","18.985","0.0012","17.7197","0.0011","90","","107.903","0.002","90","","13045.5","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C122 H72 B2 F48 Ni2 P4 S8 -","- C122 H72 B2 F48 Ni2 P4 S8 -","- C488 H288 B8 F192 Ni8 P16 S32 -","4","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.0617","0.042","","","0.0906","0.0987","","","","","","1.013","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556880","14.1624","0.0015","18.3974","0.0019","20.189","0.002","94.073","0.002","103.397","0.002","106.515","0.002","4852.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H60 B F24 Ni2 P4 S8 -","- C90 H60 B F24 Ni2 P4 S8 -","- C180 H120 B2 F48 Ni4 P8 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.0416","0.0352","","","0.091","0.0963","","","","","","1.047","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556881","12.9111","0.0017","15.863","0.002","16.368","0.002","88.537","0.003","88.979","0.003","69.195","0.003","3132.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1437","0.0977","","","0.2003","0.2241","","","","","","1.087","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556882","13.503","0.003","19.054","0.004","28.239","0.006","105.082","0.005","91.975","0.004","90.73","0.005","7009","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C212 H136 B2 F48 Fe4 P8 Pd4 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1467","0.0914","","","0.1827","0.2038","","","","","","1.07","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556883","29.421","0.004","31.324","0.005","35.123","0.005","92.011","0.003","91.984","0.003","99.304","0.003","31897","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C540 H360 B6 F144 P24 Pd12 S48 -","- C540 H360 B6 F144 P24 Pd12 S48 -","- C1080 H720 B12 F288 P48 Pd24 S96 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.2699","0.177","","","0.3523","0.3959","","","","","","1.204","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556884","8.20579","0.00016","29.4208","0.0008","16.5731","0.0003","90","","93.223","0.002","90","","3994.76","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N3 O3 P -","- C40 H36 F6 N3 O3 P -","- C160 H144 F24 N12 O12 P4 -","4","2","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0903","0.0679","","","0.1859","0.2124","","","","","","1.01","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556885","27.6234","0.0011","16.7146","0.0005","21.7661","0.0009","90","","106.545","0.004","90","","9633.6","0.7","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H46 F6 N5 O2 P -","- C61 H46 F6 N5 O2 P -","- C488 H368 F48 N40 O16 P8 -","8","1","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0921","0.0542","","","0.1332","0.1556","","","","","","1.023","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556886","11.678","0.0004","12.9347","0.0005","27.785","0.009","90","","90.912","0.008","90","","4196.4","1.4","180.01","0.1","180.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C95 H78 Cl6 F12 N6 O2 P2 -","- C95 H78 Cl6 F12 N6 O2 P2 -","- C190 H156 Cl12 F24 N12 O4 P4 -","2","0.5","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0822","0.067","","","0.1913","0.2057","","","","","","1.04","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556900","26.7934","0.0005","12.4321","0.0003","39.1414","0.0007","90","","106.494","0.002","90","","12501.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H79 Cl2 N5 O6 Pt S -","- C62 H79 Cl2 N5 O6 Pt S -","- C496 H632 Cl16 N40 O48 Pt8 S8 -","8","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","K-L~3~","0.0398","0.0371","","","0.0997","0.1021","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556901","10.1982","0.0005","18.2063","0.0007","19.7708","0.0008","105.665","0.004","99.693","0.004","96.105","0.004","3439.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H79 B2 F8 N7 O6 Pt -","- C67 H79 B2 F8 N7 O6 Pt -","- C134 H158 B4 F16 N14 O12 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.1196","0.0732","","","0.1605","0.1855","","","","","","1.013","","","","has coordinates","257361","2020-10-21","18:00:00",""
"1556902","11.78747","0.00013","15.5279","0.0002","22.4447","0.0003","101.252","0.0011","102.144","0.001","103.723","0.001","3769.49","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H76 F6 N6 O6 Pt Sb -","- C65 H76 F6 N6 O6 Pt Sb -","- C130 H152 F12 N12 O12 Pt2 Sb2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0443","0.041","","","0.1157","0.1182","","","","","","1.053","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556903","21.738","0.0004","14.9289","0.0003","21.8888","0.0005","90","","107.531","0.002","90","","6773.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H77 B F4 N8 O5 Pt -","- C65 H75 B F4 N6 O5 Pt -","- C260 H300 B4 F16 N24 O20 Pt4 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0412","0.0306","","","0.1057","0.1134","","","","","","0.866","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556904","18.7462","0.0004","15.4022","0.0003","27.6759","0.0005","90","","104.791","0.002","90","","7726.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C276 H340 Ag4 F48 N24 O24 Pt4 Sb8 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","","0.0984","0.0676","","","0.1755","0.1971","","","","","","1.039","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556905","12.2375","0.0001","14.6363","0.0002","18.2789","0.0002","81.118","0.001","76.017","0.001","74.098","0.001","3041.7","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H72 B F4 N5 O5 Pt -","- C60 H72 B F4 N5 O5 Pt -","- C120 H144 B2 F8 N10 O10 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.0267","0.0239","","","0.0567","0.0577","","","","","","1.042","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556906","13.0371","0.0005","18.3984","0.0008","18.4639","0.0008","88.81","0.003","89.789","0.003","83.438","0.003","4398.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C134 H154 Ag2 F30 N14 O10 Pt2 Sb5 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0804","0.0651","","","0.1632","0.1722","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556907","30.4605","0.0006","11.6596","0.0002","6.1159","0.0001","90","","90","","90","","2172.11","0.07","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C92 H96 N8 O20 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0386","0.0362","","","0.0887","0.0904","","","","","","1.073","","","","has coordinates,has disorder","250231","2020-10-21","18:00:00",""
"1556908","7.191","0.0001","13.5045","0.0001","18.6644","0.0002","90","","90","","90","","1812.52","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.1052","0.1083","","","","","","0.948","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556909","6.8118","0.0001","17.5495","0.0001","15.1113","0.0001","90","","91.427","0.001","90","","1805.9","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0833","0.0846","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556910","10.18405","0.00005","9.71457","0.00005","18.82762","0.00009","90","","93.0169","0.0004","90","","1860.1","0.016","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21.25 N3 O2.125 -","- C22 H21.25 N3 O2.125 -","- C88 H85 N12 O8.5 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0679","0.0682","","","","","","1.044","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1556911","32.8358","0.0003","11.60538","0.0001","5.85758","0.00007","90","","90","","90","","2232.16","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F3 N2 O4 S -","- C24 H21 F3 N2 O4 S -","- C96 H84 F12 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0618","0.0616","","","0.1477","0.1478","","","","","","1.093","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556912","12.4713","0.00005","9.02632","0.00004","17.84198","0.00007","90","","92.8702","0.0004","90","","2005.95","0.014","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C88 H100 N12 O8 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0739","0.0743","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556913","10.10659","0.00011","5.94958","0.00005","13.62038","0.0001","90","","99.5974","0.0008","90","","807.53","0.013","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0699","0.0705","","","","","","1.046","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556914","8.33247","0.00002","15.71709","0.00006","17.93381","0.00005","90","","90","","90","","2348.65","0.012","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0279","0.0277","","","0.0703","0.0705","","","","","","1.085","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556915","6.0985","0.0004","11.5023","0.0005","30.8387","0.0015","90","","90","","90","","2163.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 S -","- C24 H24 N2 O4 S -","- C96 H96 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0871","0.0624","","","0.155","0.1773","","","","","","1.098","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556931","18.1165","0.0005","18.1165","0.0005","12.8619","0.0011","90","","90","","90","","4221.4","0.4","150","0.1","150","0.1","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C200 H192 N16 O32 -","8","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0516","0.0405","","","0.0816","0.0871","","","","","","1.014","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556932","22.1402","0.0008","6.8047","0.0002","14.236","0.0005","90","","100.71","0.004","90","","2107.4","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H24.34 N2 O4.17 -","- C25 H24.342 N2 O4.171 -","- C100 H97.368 N8 O16.684 -","4","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0878","0.0904","","","","","","1.058","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556933","21.8655","0.0007","6.7309","0.0002","29.0129","0.0008","90","","100.54","0.003","90","","4197.9","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C200 H192 N16 O32 -","8","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","0.71073","MoKα","","0.053","0.0446","","","0.1104","0.1174","","","","","","1.052","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556934","25.0964","0.0009","15.1544","0.0005","19.7269","0.0007","90","","95.336","0.001","90","","7470","0.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ti3C3@Ih(7)-C80 Ni(OEP)","Ti3C3@Ih(7)-C80 Ni(OEP)","","- C131 H56 N4 Ni Ti3 -","- C131 H56 N4 Ni Ti2.9958 -","- C524 H224 N16 Ni4 Ti11.9832 -","4","0.5","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit inside the icosahedral C80 fullerene: a crystallographic survey","Chemical Science","2019","10","47","10925","","10.1039/C9SC04315B","","","0.6525","synchrotron","","0.1232","0.1079","","","0.2972","0.3105","","","","","","1.068","","","","has coordinates,has disorder","246600","2020-10-21","18:00:00",""
"1556935","7.0287","0.0002","11.0372","0.0003","15.2233","0.0005","76.459","0.001","89.714","0.001","78.323","0.001","1123.27","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O S -","- C26 H27 N3 O S -","- C52 H54 N6 O2 S2 -","2","1","","Hoche, Joscha; Schulz, Alexander; Dietrich, Lysanne Monika; Humeniuk, Alexander; Stolte, Matthias; Schmidt, David; Brixner, Tobias; Würthner, Frank; Mitric, Roland","The origin of the solvent dependence of fluorescence quantum yields in dipolar merocyanine dyes","Chemical Science","2019","10","48","11013","","10.1039/C9SC05012D","","","1.54178","CuKα","","0.0419","0.0368","","","0.0946","0.0981","","","","","","1.044","","","","has coordinates","246601","2020-10-21","18:00:00",""
"1556936","6.5464","0.0002","17.3658","0.0006","21.0198","0.0007","90","","96.37","0.001","90","","2374.85","0.14","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H25 B F5 N O P S -","- C21 H25 B F5 N O P S -","- C84 H100 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0442","0.0373","","","0.0869","0.0912","","","","","","1.036","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556937","7.2656","0.0003","9.5413","0.0003","13.0878","0.0004","90","","100.119","0.003","90","","893.18","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","x-ray","1.54184","CuKα","","0.0856","0.0766","","","0.2045","0.2144","","","","","","1.04","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556938","17.1138","0.0014","6.6266","0.0005","20.6037","0.0016","90","","93.452","0.003","90","","2332.4","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H26 B F5 N O P S -","- C21 H26 B F5 N O P S -","- C84 H104 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0965","0.0714","","","0.1665","0.18","","","","","","1.081","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556939","11.4515","0.0002","13.8216","0.0002","13.0859","0.0002","90","","95.239","0.002","90","","2062.56","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O4 -","- C22 H24 F N O4 -","- C88 H96 F4 N4 O16 -","4","1","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","x-ray","1.54184","CuKα","","0.1179","0.1146","","","0.3172","0.3195","","","","","","1.079","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556992","9.7263","0.0008","11.8883","0.001","24.935","0.002","90","","90","","90","","2883.2","0.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","1","","Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng","Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light","Chemical Science","2020","11","8","2130","2135","10.1039/C9SC06184C","","","0.71073","MoKα","","0.0511","0.0417","","","0.108","0.1148","","","","","","1.044","","","","has coordinates","257301","2020-10-21","18:00:00",""
"1556993","10.6565","0.0007","11.1408","0.0009","12.3","0.001","69.374","0.003","76.912","0.003","65.303","0.003","1236.26","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.71073","MoKα","","0.0782","0.0504","","","0.1262","0.1367","","","","","","1.077","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556994","9.072","0.0018","9.846","0.002","23.918","0.005","90","","90","","90","","2136.4","0.8","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C112 H104 N8 -","4","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.73","synchrotron","","0.0643","0.0588","","","0.1755","0.1815","","","","","","1.154","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556995","37.1066","0.0017","31.0733","0.0015","11.8903","0.0006","90","","99.208","0.002","90","","13533.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LMOF-231-F0.2; Zn2(tcbpe)0.8(tcbpe-F)0.2","LMOF-305","","- C54 H31.2 F0.8 O8 Zn2 -","- C54 H31.2 F0.8 O8 Zn2 -","- C432 H249.6 F6.4 O64 Zn16 -","8","1","","Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing","Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs","Chemical Science","2020","11","7","1814","1824","10.1039/C9SC05721H","","","0.7749","synchrotron","","0.1128","0.0807","","","0.2374","0.2512","","","","","","1.24","","","","has coordinates,has disorder","257363","2020-10-21","18:00:00",""
"1557024","41.708","0.01","5.7563","0.001","12.67","0.003","90","","98.46","0.02","90","","3008.8","1.2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 S4 -","- C38 H34 S4 -","- C152 H136 S16 -","4","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1902","0.1043","","","0.1784","0.2208","","","","","","1.089","","","","has coordinates,has disorder","257360","2020-10-21","18:00:00",""
"1557025","23.82","0.03","5.837","0.006","12.5","0.014","90","","104.133","0.018","90","","1685","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1864","0.1165","","","0.2407","0.2799","","","","","","1.089","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557026","22.15","0.003","5.7413","0.0007","13.1188","0.0016","90","","95.85","0.007","90","","1659.6","0.4","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71075","MoKα","","0.1411","0.0965","","","0.2486","0.2772","","","","","","1.118","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557027","28.173","0.003","16.4313","0.0017","20.453","0.002","90","","90.107","0.004","90","","9468.1","1.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C66 H30 Al3 Ba F89 O9 -","- C66 H30 Al3 Ba F89 O9 -","- C264 H120 Al12 Ba4 F356 O36 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","","0.71073","MoKα","","0.0355","0.0323","","","0.0751","0.0768","","","","","","0.942","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557028","17.765","0.006","20.654","0.007","20.031","0.008","90","","93.018","0.014","90","","7340","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H26 Al2 Ca F68 O7 -","- C52 H26 Al2 Ca F68 O7 -","- C208 H104 Al8 Ca4 F272 O28 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.1221","0.0863","","","0.2002","0.219","","","","","","1.058","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557029","10.6319","0.0004","22.3961","0.0008","24.4869","0.0009","79.144","0.001","79.696","0.001","77.759","0.001","5537.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Al2 F55 In O6 -","- C36 H18 Al2 F55 In O6 -","- C144 H72 Al8 F220 In4 O24 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.078","0.0496","","","0.1162","0.1295","","","","","","1.049","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557030","14.3953","0.0004","18.2606","0.0005","25.8315","0.0007","73.784","0.001","74.37","0.002","66.821","0.001","5895.1","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H22 Al2 F74 Mg N6 O8 -","- C50 H22 Al2 F74 Mg N6 O8 -","- C150 H66 Al6 F222 Mg3 N18 O24 -","3","3","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0722","0.0511","","","0.1185","0.1294","","","","","","1.04","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557031","13.8661","0.0005","20.2883","0.0008","23.0336","0.0009","80.031","0.001","85.985","0.001","79.942","0.001","6278.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 F118 O12 Sr -","- C84 H34 Al4 F118 O12 Sr -","- C168 H68 Al8 F236 O24 Sr2 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0588","0.0376","","","0.0819","0.0907","","","","","","1.008","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557032","13.9542","0.0007","20.3286","0.0011","22.9128","0.0012","80.085","0.002","84.743","0.002","80.239","0.002","6296.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 Ca F118 O12 -","- C84 H34 Al4 Ca F118 O12 -","- C168 H68 Al8 Ca2 F236 O24 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0686","0.0519","","","0.1288","0.1407","","","","","","1.031","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557033","23.429","0.0015","18.9075","0.0012","22.4874","0.0014","90","","118.27","0.002","90","","8773.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H26 Al3 Ca F87 O9 -","- C60 H26 Al3 Ca F87 O9 -","- C240 H104 Al12 Ca4 F348 O36 -","4","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0769","0.0556","","","0.1526","0.1664","","","","","","1.029","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557034","13.5412","0.0009","25.3825","0.0017","27.3385","0.0017","90.017","0.002","90.111","0.002","92.474","0.002","9387.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H30 Al3 F89 O9 Sr -","- C66 H30 Al3 F89 O9 Sr -","- C264 H120 Al12 F356 O36 Sr4 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0746","0.0543","","","0.1357","0.1484","","","","","","1.026","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557045","5.3182","0.0004","10.94","0.0007","23.9705","0.0016","90","","90","","90","","1394.63","0.17","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","","Burg, Finn; Breitenlechner, Stefan; Jandl, Christian; Bach, Thorsten","Enantioselective oxygenation of exocyclic methylene groups by a manganese porphyrin catalyst with a chiral recognition site","Chemical Science","2020","11","8","2121","2129","10.1039/C9SC06089H","","x-ray","0.71073","MoKα","","0.027","0.0268","","","0.0737","0.0741","","","","","","1.078","","","","has coordinates","257303","2020-10-21","18:00:00",""
"1557052","5.899","0.002","7.547","0.003","20.535","0.008","83.465","0.009","84.681","0.01","82.512","0.008","897.7","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","12CM007","","","- C22 H28 N -","- C22 H28 N -","- C44 H56 N2 -","2","1","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","0.71073","MoKα","","0.0942","0.0478","","","0.1117","0.1293","","","","","","1.015","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557053","13.0175","0.0005","9.329","0.0003","8.3512","0.0003","90","","106.37","0.002","90","","973.06","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12CM104","","","- C28 H18 O2 -","- C28 H18 O2 -","- C56 H36 O4 -","2","0.5","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","1.54178","CuKα","","0.0382","0.0351","","","0.0922","0.0952","","","","","","1.026","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557060","8.52831","0.00011","10.39109","0.00014","11.21545","0.00016","117.584","0.0014","92.3119","0.0011","95.1854","0.0011","873.5","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N S Si -","- C18 H19 N S Si -","- C36 H38 N2 S2 Si2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0379","0.0335","","","0.095","0.0982","","","","","","1.068","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557061","20.6204","0.0008","9.4103","0.0003","16.7239","0.0006","90","","120.205","0.005","90","","2804.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N O S -","- C17 H13 N O S -","- C136 H104 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0358","0.0309","","","0.0897","0.0925","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557062","13.1964","0.0002","13.3812","0.0002","16.7048","0.0003","90","","90","","90","","2949.79","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O S -","- C18 H15 N O S -","- C144 H120 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0365","0.0312","","","0.0875","0.0903","","","","","","1.059","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557063","10.9143","0.0002","7.26579","0.00018","12.4737","0.0002","90","","104.425","0.002","90","","957.99","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0352","0.0307","","","0.0809","0.0847","","","","","","1.057","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557064","10.6588","0.0004","8.0663","0.0003","20.1272","0.0008","90","","95.886","0.003","90","","1721.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N S Se Si -","- C16 H21 N S Se Si -","- C64 H84 N4 S4 Se4 Si4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0404","0.032","","","0.0689","0.0718","","","","","","1.078","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557065","13.9373","0.0006","7.7203","0.0003","17.0136","0.0007","90","","105.984","0.005","90","","1759.89","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N S -","- C22 H23 N S -","- C88 H92 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0531","0.0419","","","0.0951","0.1003","","","","","","1.051","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557066","7.5133","0.0002","25.6215","0.0007","8.2645","0.0003","90","","100.591","0.003","90","","1563.83","0.08","102","2","102","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 S -","- C21 H20 S -","- C84 H80 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0429","0.0371","","","0.0887","0.0917","","","","","","1.077","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557067","6.9027","0.0006","7.3743","0.0006","9.3503","0.0007","68.861","0.008","73.292","0.008","84.246","0.006","425.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 N S -","- C10 H7 N S -","- C20 H14 N2 S2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0377","0.0325","","","0.0779","0.0813","","","","","","1.052","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557068","12.2557","0.0002","9.5626","0.0002","21.5616","0.0004","90","","90","","90","","2526.94","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C128 H88 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0333","0.0303","","","0.0792","0.0822","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557069","11.1885","0.0007","11.263","0.0004","12.1884","0.0007","90","","116.756","0.008","90","","1371.48","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N S -","- C17 H17 N S -","- C68 H68 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0511","0.0386","","","0.0847","0.0915","","","","","","1.038","","","","has coordinates,has disorder","257365","2020-10-21","18:00:00",""
"1557075","17.5623","0.0006","13.934","0.0004","20.8795","0.0007","90","","92.113","0.002","90","","5106","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H67 N3 O6 P2 Ru -","- C55 H67 N3 O6 P2 Ru -","- C220 H268 N12 O24 P8 Ru4 -","4","1","","Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martín; Nova, Ainara","Rational selection of co-catalysts for the deaminative hydrogenation of amides.","Chemical science","2020","11","8","2225","2230","10.1039/c9sc03812d","","","0.71073","MoKα","","0.0874","0.0631","","","0.1484","0.1638","","","","","","1.169","","","","has coordinates","250222","2020-10-21","18:00:00",""
"1557079","12.77764","0.00017","5.95718","0.00005","12.86001","0.00011","90","","100.546","0.001","90","","962.352","0.018","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0737","0.0741","","","","","","1.044","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557080","10.3193","0.0001","10.5258","0.0001","18.2046","0.0002","90","","90","","90","","1977.36","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0292","0.0282","","","0.0695","0.0702","","","","","","1.041","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557081","5.909","0.0001","12.8175","0.0002","27.4929","0.0004","90","","90","","90","","2082.27","0.06","120","2","120","2","","","","","","","petroleum ether, EtOAc","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0577","0.0583","","","","","","1.06","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557082","21.613","0.0013","12.1859","0.0007","13.5922","0.0007","90","","104.043","0.006","90","","3472.8","0.4","150","0.3","150","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C192 H144 O24 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0688","0.053","","","0.1258","0.1351","","","","","","1.071","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557083","14.145","0.002","7.441","0.001","24.56","0.004","90","","96.17","0.013","90","","2570","0.7","149.9","0.3","149.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1401","0.0709","","","0.1404","0.176","","","","","","0.975","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557084","16.2589","0.001","6.7715","0.0003","16.4568","0.0009","90","","106.511","0.006","90","","1737.14","0.17","149.9","0.3","149.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl O3 -","- C22 H15 Cl O3 -","- C88 H60 Cl4 O12 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0762","0.0521","","","0.1056","0.1222","","","","","","1.053","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557085","12.5579","0.001","5.2167","0.0004","35.021","0.003","90","","94.917","0.007","90","","2285.8","0.3","150","0.3","150","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O7 -","- C25 H24 O7 -","- C100 H96 O28 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1549","0.0968","","","0.2006","0.2306","","","","","","1.083","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557086","29.9022","0.0018","11.0935","0.0006","13.4816","0.0007","90","","99.73","0.005","90","","4407.8","0.4","149.9","0.3","149.9","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0787","0.0545","","","0.1208","0.1334","","","","","","1.042","","","","has coordinates,has disorder","257358","2020-10-21","18:00:00",""
"1557087","9.3923","0.0003","29.4208","0.0008","11.9664","0.0003","90","","102.511","0.003","90","","3228.14","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 F6 N3 O P -","- C39 H34 F6 N3 O P -","- C156 H136 F24 N12 O4 P4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.075","0.065","","","0.1706","0.1803","","","","","","1.026","","","","has coordinates","257369","2020-10-21","18:00:00",""
"1557088","9.53897","0.0001","23.141","0.0002","9.5721","0.0001","90","","107.33","0.0012","90","","2017.04","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.036","0.0349","","","0.0958","0.0967","","","","","","1.001","","","","has coordinates,has disorder","257369","2020-10-21","18:00:00",""
"1557089","25.4899","0.0016","18.8304","0.0012","25.7453","0.0016","90","","103.128","0.0009","90","","12034.4","1.3","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C312 H760 Dy8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0738","0.0373","","","0.0667","0.0846","","","","","","1.114","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557090","11.0616","0.001","27.199","0.002","21.7721","0.0019","90","","103.885","0.0012","90","","6359","0.9","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Dy K N3 O12 Si6 -","- C42 H102 Dy K N3 O12 Si6 -","- C168 H408 Dy4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0678","0.0426","","","0.0928","0.1025","","","","","","1.023","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557091","25.453","0.003","18.757","0.002","25.744","0.003","90","","103.142","0.0015","90","","11969","2","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C312 H760 K8 N24 O84 Si48 Tm8 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0349","0.0244","","","0.0509","0.0554","","","","","","1.011","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557092","21.956","0.002","22.554","0.002","25.737","0.003","90","","90","","90","","12745","2","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H102 K N3 O12 Si6 Tm -","- C42 H102 K N3 O12 Si6 Tm -","- C336 H816 K8 N24 O96 Si48 Tm8 -","8","2","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0941","0.0522","","","0.091","0.1048","","","","","","1.009","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557093","12.6614","0.0013","15.5498","0.0015","21.205","0.002","94.4758","0.0013","94.0831","0.0013","105.746","0.0012","3987.4","0.7","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C104 H248 Gd4 K4 N8 O32 Si16 -","2","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0538","0.0332","","","0.0614","0.0672","","","","","","0.989","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557094","18.564","0.003","18.564","0.003","18.05","0.003","90","","90","","120","","5387","1.5","88","2","88","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C36 H90 Gd K N5 O6 Si6 -","- C36 H90 Gd K N5 O6 Si6 -","- C108 H270 Gd3 K3 N15 O18 Si18 -","3","0.166667","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0304","0.0235","","","0.0411","0.0426","","","","","","1.005","","","","has coordinates","257359","2020-10-21","18:00:00",""
"1557095","11.064","0.003","27.08","0.006","21.797","0.005","90","","103.991","0.003","90","","6337","3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Er K N3 O12 Si6 -","- C42 H102 Er K N3 O12 Si6 -","- C168 H408 Er4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0703","0.0496","","","0.1012","0.1081","","","","","","1.091","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557096","11.0476","0.0011","27.157","0.003","21.797","0.002","90","","103.905","0.0012","90","","6347.9","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Ho K N3 O12 Si6 -","- C42 H102 Ho K N3 O12 Si6 -","- C168 H408 Ho4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0417","0.0368","","","0.0883","0.0914","","","","","","1.028","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557097","11.1493","0.0011","27.059","0.003","21.755","0.002","90","","104.007","0.0013","90","","6368.1","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Gd K N3 O12 Si6 -","- C42 H102 Gd K N3 O12 Si6 -","- C168 H408 Gd4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0623","0.0466","","","0.0904","0.0953","","","","","","1.1","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557098","11.1324","0.0018","27.081","0.004","21.775","0.004","90","","103.924","0.002","90","","6371.8","1.8","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Tb -","- C42 H102 K N3 O12 Si6 Tb -","- C168 H408 K4 N12 O48 Si24 Tb4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0461","0.0356","","","0.0804","0.0855","","","","","","1.024","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557099","25.507","0.011","18.806","0.008","25.726","0.011","90","","103.21","0.006","90","","12014","9","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C312 H760 Gd8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.1704","0.1015","","","0.2455","0.2892","","","","","","1.027","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557100","11.0774","0.0007","27.0905","0.0018","21.7959","0.0014","90","","104","0.0009","90","","6346.5","0.7","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Y -","- C42 H102 K N3 O12 Si6 Y -","- C168 H408 K4 N12 O48 Si24 Y4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.069","0.0516","","","0.1294","0.1384","","","","","","1.026","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557101","25.514","0.003","18.8","0.002","25.712","0.003","90","","103.167","0.0015","90","","12009","2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C312 H760 Ho8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0345","0.0251","","","0.0554","0.0589","","","","","","1.025","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557105","28.36","0.0004","12.35285","0.00017","27.666","0.0004","90","","94.6541","0.0014","90","","9660.2","0.2","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C104 H96 B4 F16 N8 O4 Pd2 -","- C88 H56 B4 F16 N8 Pd2 -","- C352 H224 B16 F64 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.0494","0.0419","","","0.1118","0.119","","","","","","1.055","","","","has coordinates,has disorder","257420","2020-10-21","18:00:00",""
"1557106","23.2193","0.0009","15.8896","0.0005","38.7298","0.0015","90","","112.281","0.005","90","","13222.3","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C123 H119 B4 F16 N17 O9 Pd2 -","- C96 H56 N8 Pd2 -","- C384 H224 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.106","0.0994","","","0.2702","0.2743","","","","","","1.078","","","","has coordinates","257420","2020-10-21","18:00:00",""
"1557107","6.29025","0.00014","7.62301","0.00017","32.0065","0.0007","90","","90.1584","0.0019","90","","1534.73","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 I N2 -","- C16 H19 I N2 -","- C64 H76 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0579","0.0469","","","0.1315","0.1683","","","","","","1.166","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557108","14.6729","0.0007","15.6807","0.0007","16.4518","0.0007","85.945","0.004","73.88","0.004","62.636","0.005","3222.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H87 I3 N5 O2 -","- C64 H87 I3 N5 O2 -","- C128 H174 I6 N10 O4 -","2","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0742","0.0496","","","0.1393","0.1579","","","","","","0.999","","","","has coordinates,has disorder","257424","2020-10-21","18:00:00",""
"1557109","6.9063","0.0002","7.9318","0.0002","30.157","0.0006","90","","90","","90","","1651.98","0.07","173","0.02","173","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N2 -","- C17 H18 I N2 -","- C68 H72 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.058","0.0518","","","0.1385","0.1451","","","","","","1.045","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557110","13.2857","0.0009","13.9411","0.0008","20.5686","0.0015","103.573","0.002","95.666","0.003","116.252","0.002","3230.4","0.4","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","UImNHC","","- C73 H92 N5 O2 U -","- C73 H92 N5 O2 U -","- C146 H184 N10 O4 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0705","0.0476","","","0.1016","0.1133","","","","","","1.074","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557111","13.1219","0.0004","13.5561","0.0005","20.3099","0.0007","78.109","0.002","76.264","0.002","68.201","0.002","3230.5","0.2","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","UImNHCazide","","- C75 H88 N8 U -","- C75 H88 N8 U -","- C150 H176 N16 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0562","0.0465","","","0.0979","0.1017","","","","","","1.141","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557112","25.884","0.005","13.889","0.003","21.315","0.004","90","","110.09","0.03","90","","7197","3","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","UImNHCNPMe3","","- C76 H99 N6 O P U -","- C76 H99 N6 O P U -","- C304 H396 N24 O4 P4 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0422","0.0279","","","0.0618","0.0667","","","","","","1.026","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557113","14.7113","0.0008","12.979","0.0006","36.748","0.0017","90","","94.521","0.002","90","","6994.8","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","UImNHCN","","- C75 H96 N6 U -","- C75 H92 N6 U -","- C300 H368 N24 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0669","0.0526","","","0.1004","0.1046","","","","","","1.228","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557114","13.1812","0.0005","15.8571","0.0006","19.6743","0.0008","110.71","0.002","90.48","0.002","105.002","0.002","3692.6","0.3","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","UImNHCNPhNC","","- C82 H101 N7 O U -","- C82 H101 N7 O U -","- C164 H202 N14 O2 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.043","0.0327","","","0.0863","0.0924","","","","","","1.077","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557115","11.3659","0.0004","11.9259","0.0004","17.9314","0.0006","90","","90","","90","","2430.58","0.14","153","2","153.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 O2 -","- C33 H26 O2 -","- C132 H104 O8 -","4","1","","Liu, Xihong; Zhang, Jingying; Bai, Lutao; Wang, Linqing; Yang, Dongxu; Wang, Rui","Catalytic asymmetric multiple dearomatizations of phenols enabled by a cascade 1,8-addition and Diels‒Alder reaction","Chemical Science","2020","11","3","671","676","10.1039/C9SC05320D","","","1.54178","CuKα","","0.0273","0.0265","","","0.0655","0.0663","","","","","","1.08","","","","has coordinates","257429","2020-10-21","18:00:00",""
"1557116","14.635","0.0007","18.1373","0.0009","22.0161","0.001","79.631","0.004","75.201","0.004","74.12","0.004","5396.2","0.5","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C64 H88 -","- C64 H88 -","- C256 H352 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1246","0.1066","","","0.2653","0.2812","","","","","","1.106","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557117","12.9083","0.0007","14.2464","0.0008","20.148","0.0015","74.898","0.006","79.351","0.005","89.459","0.004","3512.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H39 B F24 N7 Rh -","- C61 H39 B F24 N7 Rh -","- C122 H78 B2 F48 N14 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1176","0.0997","","","0.2466","0.2619","","","","","","1.04","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557118","11.7452","0.0004","16.7896","0.0005","18.5777","0.0007","84.062","0.003","73.668","0.003","70.038","0.003","3304.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H62 B F24 N5 Rh -","- C67 H62 B F24 N5 Rh -","- C134 H124 B2 F48 N10 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0676","0.0561","","","0.1408","0.1481","","","","","","1.036","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557119","10.7497","0.0005","11.175","0.0004","11.5688","0.0003","96.962","0.002","96.945","0.003","116.711","0.004","1207.93","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H16 F8 -","- C32 H16 F8 -","- C64 H32 F16 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0466","0.04","","","0.1068","0.1124","","","","","","1.032","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557120","19.4406","0.0003","17.1714","0.0003","19.516","0.0003","90","","103.079","0.0016","90","","6345.86","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H51 B Cl2 F24 N5 Rh -","- C60 H51 B Cl2 F24 N5 Rh -","- C240 H204 B4 Cl8 F96 N20 Rh4 -","4","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0415","0.0383","","","0.0953","0.0976","","","","","","1.025","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557121","16.95902","0.00018","18.45666","0.00019","34.7576","0.0003","90","","98.7133","0.001","90","","10753.8","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H37 B F24 N5 Rh -","- C54 H37 B F24 N5 Rh -","- C432 H296 B8 F192 N40 Rh8 -","8","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0573","0.0519","","","0.1097","0.1125","","","","","","1.146","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557122","13.01044","0.00008","20.05043","0.00013","26.99316","0.00016","90.7652","0.0005","97.9088","0.0005","106.636","0.0005","6672.31","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H45 B F25 N5 O Rh -","- C68 H45 B F25 N5 O Rh -","- C272 H180 B4 F100 N20 O4 Rh4 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0363","0.0348","","","0.0901","0.0918","","","","","","1.015","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557123","8.6977","0.0004","9.9164","0.0004","20.6241","0.0009","90","","90","","90","","1778.83","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0795","0.0511","","","0.1017","0.114","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557124","15.4799","0.0006","12.7561","0.0005","17.7032","0.0007","90","","110.471","0.001","90","","3275","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br2 O9 -","- C37 H32 Br2 O9 -","- C148 H128 Br8 O36 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0536","0.0334","","","0.0669","0.0726","","","","","","1.008","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557125","11.1979","0.0009","12.5205","0.001","24.904","0.002","90","","93.401","0.002","90","","3485.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C160 H160 O48 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.1373","0.0846","","","0.199","0.226","","","","","","1.066","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557126","11.2987","0.0006","10.6941","0.0006","11.9582","0.0007","90","","90.723","0.001","90","","1444.79","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0334","0.0312","","","0.0772","0.0787","","","","","","1.039","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557127","13.6526","0.0008","9.772","0.0005","24.8831","0.0013","90","","101.015","0.002","90","","3258.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0426","0.0357","","","0.0847","0.0885","","","","","","1.065","","","","has coordinates,has disorder","257302","2020-10-21","18:00:00",""
"1557128","10.1038","0.0007","12.0566","0.0009","10.4153","0.0007","90","","97.827","0.002","90","","1256.95","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C54 H58 N2 O16 -","2","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0651","0.0431","","","0.0848","0.0916","","","","","","1.059","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557129","7.091","0.0004","16.2621","0.0009","13.2704","0.0007","90","","92.494","0.002","90","","1528.82","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","1.54178","CuKα","","0.028","0.0275","","","0.0705","0.0709","","","","","","1.042","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557130","26.9187","0.001","7.6682","0.0003","12.9814","0.0005","90","","108.271","0.003","90","","2544.5","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C108 H116 N4 O32 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0478","0.0375","","","0.0836","0.0876","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557131","6.0431","0.0002","13.3857","0.0004","14.3592","0.0004","90","","90","","90","","1161.53","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H5 D N2 -","- C6 H5 D N2 -","- C48 H40 D8 N16 -","8","1","","Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei","An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines","Chemical Science","2020","11","3","742","747","10.1039/C9SC05627K","","x-ray","1.54184","CuKα","","0.0746","0.0667","","","0.1497","0.1598","","","","","","1.099","","","","has coordinates","257419","2020-10-21","18:00:00",""
"1557132","13.9378","0.0012","13.9378","0.0012","8.2316","0.0008","90","","90","","120","","1384.9","0.2","299","2","298.94","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- In8 Ir1.5 S5.25 -","- In8 Ir1.5 S5.25 -","- In32 Ir6 S21 -","4","0.666667","","Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G.","Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide","Chemical Science","2020","11","3","870","878","10.1039/C9SC05609B","","","0.71073","MoKα","","0.0278","0.0258","","","0.0691","0.0704","","","","","","1.075","","","","has coordinates","257422","2020-10-21","18:00:00",""
"1557142","7.5074","0.0004","11.2005","0.0006","11.2581","0.0005","70.42","0.004","78.131","0.004","84.462","0.004","872.46","0.08","100","0.1","99.95","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl N3 O Pd -","- C18 H20 Cl N3 O Pd -","- C36 H40 Cl2 N6 O2 Pd2 -","2","1","","Czyz, Milena L.; Weragoda, Geethika K.; Horngren, Tyra H.; Connell, Timothy U.; Gomez, Daniel; O'Hair, Richard A. J.; Polyzos, Anastasios","Photoexcited Pd(ii) auxiliaries enable light-induced control in C(sp3)‒H bond functionalisation","Chemical Science","2020","11","9","2455","2463","10.1039/C9SC05722F","","x-ray","0.71073","MoKα","","0.0686","0.05","","","0.1073","0.1152","","","","","","1.06","","","","has coordinates","257367","2020-10-21","18:00:00",""
"1557165","13.9904","0.0007","14.295","0.0008","48.384","0.002","90","","94.664","0.002","90","","9644.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H102 Au4 P2 Ru2 S8 -","- C100 H102 Au4 P2 Ru2 S8 -","- C400 H408 Au16 P8 Ru8 S32 -","4","1","","Sun, Yongnan; Pei, Wei; Xie, Mingcai; Xu, Shun; Zhou, Si; Zhao, Jijun; Xiao, Kang; Zhu, Yan","Excitonic Au4Ru2(PPh3)2(SC2H4Ph)8 cluster for light-driven dinitrogen fixation","Chemical Science","2020","11","9","2440","2447","10.1039/C9SC06424A","","","0.71073","MoKα","","0.0495","0.0433","","","0.1085","0.1112","","","","","","1.13","","","","has coordinates","257373","2020-10-21","18:00:00",""
"1557189","10.7749","0.0011","15.2475","0.0015","12.314","0.0013","90","","108.515","0.008","90","","1918.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 F6 N2 O3 -","- C22 H12 F6 N2 O3 -","- C88 H48 F24 N8 O12 -","4","1","","Malla, Javid Ahmad; Umesh, Rintu M.; Vijay, Amal; Mukherjee, Arnab; Lahiri, Mayurika; Talukdar, Pinaki","Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl− channel","Chemical Science","2020","11","9","2420","2428","10.1039/C9SC06520B","","","1.54178","CuKα","","0.2321","0.0866","","","0.186","0.259","","","","","","0.996","","","","has coordinates","257372","2020-10-21","18:00:00",""
"1557197","15.21","0.005","16.731","0.005","23.716","0.007","90","","104.529","0.006","90","","5842","3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 N6 O13 Zn2 -","- C58 H60 N6 O13 Zn2 -","- C232 H240 N24 O52 Zn8 -","4","1","","Fu, Guorui; He, Yani; Li, Wentao; Miao, Tiezheng; Lü, Xingqiang; He, Hongshan; Liu, Li; Wong, Wai-Yeung","Efficient white polymer light-emitting diodes (WPLEDs) based on covalent-grafting of [Zn2(MP)3(OAc)] into PVK","Chemical Science","2020","11","10","2640","2646","10.1039/C9SC05288G","","","","","","0.218","","","","","","","","","","","","","","","has coordinates","257291","2020-10-21","18:00:00",""
"1557206","11.012","0.009","16.138","0.013","11.225","0.009","90","","96.899","0.012","90","","1980","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.0813","0.0547","","","0.13","0.1445","","","","","","1.093","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557207","17.03","0.02","10.58","0.01","22.26","0.04","90","","103.23","0.03","90","","3904","9","173","2","173.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H29 N3 O2 -","- C19 H29 N3 O2 -","- C152 H232 N24 O16 -","8","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.1482","0.088","","","0.2275","0.2777","","","","","","1.072","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557228","27.571","0.003","19.7599","0.0018","19.1951","0.0018","90","","90","","90","","10457.5","1.8","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C101 H48 F40 N12 Ni O7 -","- C101 H48 F40 N12 Ni O7 -","- C404 H192 F160 N48 Ni4 O28 -","4","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.0953","0.0551","","","0.1074","0.1184","","","","","","1.005","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557229","47.886","0.003","13.8742","0.0013","28.061","0.003","90","","119.602","0.002","90","","16210","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C716 H152 Cl8 Cu8 F320 N64 Ni8 O24 -","8","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2124","0.0782","","","0.1032","0.1598","","","","","","0.863","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557230","11.6188","0.0016","14.403","0.0011","26.7956","0.0017","82.937","0.006","77.65","0.008","70.954","0.009","4133.7","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H22 F40 N8 O3 -","- C89 H22 F40 N8 O3 -","- C178 H44 F80 N16 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2486","0.1453","","","0.2787","0.3435","","","","","","1.019","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557231","14.057","0.002","14.08","0.002","24.646","0.004","92.257","0.003","101.581","0.002","108.23","0.002","4511.4","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H32 F40 N12 Ni O3 -","- C97 H32 F40 N12 Ni O3 -","- C194 H64 F80 N24 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.102","0.0744","","","0.2149","0.2485","","","","","","1.05","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557232","14.0363","0.0012","14.1385","0.0015","24.8547","0.0018","91.904","0.001","101.174","0.002","107.743","0.002","4586.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H18 Cu F40 N8 Ni O3 -","- C89 H18 Cu F40 N8 Ni O3 -","- C178 H36 Cu2 F80 N16 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.1813","0.089","","","0.2021","0.2477","","","","","","0.92","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557234","10.4398","0.0008","18.5854","0.0015","16.9617","0.0014","90","","94.354","0.003","90","","3281.5","0.5","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C122 H180 Au4 Cl4 F24 N4 P4 Sb4 -","2","0.5","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0338","0.0257","","","0.0681","0.0718","","","","","","1.028","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557235","10.9121","0.0011","17.7644","0.0018","19.509","0.002","90","","104.904","0.003","90","","3654.5","0.6","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Au Cl2 F6 N O P Sb -","- C34 H50 Au Cl2 F6 N O P Sb -","- C136 H200 Au4 Cl8 F24 N4 O4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0392","0.0302","","","0.0736","0.079","","","","","","1.046","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557236","14.8546","0.0012","12.2517","0.0009","20.5946","0.0016","90","","99.848","0.003","90","","3692.9","0.5","193","2","193","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C132 H192 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","2","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0197","0.0192","","","0.0475","0.0478","","","","","","1.053","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557237","15.4212","0.0012","13.4652","0.0008","9.4134","0.0007","90","","102.515","0.004","90","","1908.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.143","0.0611","","","0.1452","0.1833","","","","","","1.053","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557238","10.0221","0.0004","13.3021","0.0005","14.7578","0.0006","90","","95.633","0.002","90","","1957.94","0.13","193","2","193","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C58 H72 Au2 B20 Cl4 F12 P4 Sb2 -","2","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","x-ray","1.54178","CuKα","","0.0325","0.0308","","","0.0755","0.0767","","","","","","1.036","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557239","10.7728","0.0007","11.143","0.0009","30.591","0.002","90","","98.974","0.005","90","","3627.2","0.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Au F6 N2 O2 P Sb -","- C38 H47 Au F6 N2 O2 P Sb -","- C152 H188 Au4 F24 N8 O8 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0529","0.0429","","","0.1024","0.1076","","","","","","1.079","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557253","28.768","0.009","11.456","0.004","18.185","0.006","90","","90","","90","","5993","3","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Am Br3 O3 P3 -","- C54 H99 Am Br3 O3 P3 -","- C216 H396 Am4 Br12 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0606","0.0399","","","0.0787","0.0858","","","","","","1.081","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557254","28.7058","0.001","11.4228","0.0004","18.1359","0.0007","90","","90","","90","","5946.8","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Nd O3 P3 -","- C54 H99 Br3 Nd O3 P3 -","- C216 H396 Br12 Nd4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0608","0.0405","","","0.068","0.0777","","","","","","1.037","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557255","28.92","0.005","11.434","0.002","18.209","0.003","90","","90","","90","","6021.2","1.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Ce O3 P3 -","- C54 H99 Br3 Ce O3 P3 -","- C216 H396 Br12 Ce4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0499","0.0353","","","0.0663","0.0726","","","","","","1.057","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557256","28.879","0.0016","11.4223","0.0007","18.2083","0.001","90","","90","","90","","6006.3","0.6","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 La O3 P3 -","- C54 H99 Br3 La O3 P3 -","- C216 H396 Br12 La4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.051","0.0348","","","0.0566","0.062","","","","","","1.093","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557257","28.7155","0.0012","11.4126","0.0004","18.1299","0.0008","90","","90","","90","","5941.5","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 O3 P3 Pr -","- C54 H99 Br3 O3 P3 Pr -","- C216 H396 Br12 O12 P12 Pr4 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0481","0.0317","","","0.0556","0.0617","","","","","","1.055","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557262","6.512","0.0002","15.336","0.0003","8.7541","0.0002","90","","111.502","0.003","90","","813.41","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 F O2 -","- C21 H21 F O2 -","- C42 H42 F2 O4 -","2","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0283","0.0283","","","0.0735","0.0735","","","","","","1.09","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557263","9.5439","0.0002","10.5734","0.0002","17.3218","0.0003","90","","90","","90","","1747.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0511","0.0499","","","0.1346","0.1384","","","","","","1.132","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557283","6.6601","0.0004","7.4588","0.0004","23.5097","0.0015","94.931","0.005","90.774","0.005","105.499","0.005","1120.43","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O3 -","- C25 H30 N4 O3 -","- C50 H60 N8 O6 -","2","1","","Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong","In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe","Chemical Science","2020","11","12","3152","3163","10.1039/C9SC06226B","","x-ray","1.54184","CuKα","","0.0532","0.0394","","","0.0926","0.0981","","","","","","1.008","","","","has coordinates","257414","2020-10-21","18:00:00",""
"1557284","24.8686","0.0019","23.1581","0.0019","17.7369","0.0015","90","","98.907","0.003","90","","10091.7","1.4","299","2","299.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Mn4 N12 O52 Si W12 -","- C60 H44 Mn4 N12 O52 Si W12 -","- C240 H176 Mn16 N48 O208 Si4 W48 -","4","0.5","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0932","0.0548","","","0.1144","0.1432","","","","","","1.163","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557285","13.034","0.0006","15.6737","0.0006","20.2719","0.0009","79.875","0.002","88.908","0.002","87.011","0.002","4071.1","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 Mo12 N11 O49 P -","- C49 H39 Mn3 Mo12 N11 O49 P -","- C98 H78 Mn6 Mo24 N22 O98 P2 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0955","0.0481","","","0.0871","0.107","","","","","","1.031","","","","has coordinates","257404","2020-10-21","18:00:00",""
"1557286","13.0328","0.0005","15.6142","0.0005","20.1424","0.0007","79.88","0.001","89.029","0.002","86.775","0.002","4028.6","0.2","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 N11 O49 P W12 -","- C49 H39 Mn3 N11 O49 P W12 -","- C98 H78 Mn6 N22 O98 P2 W24 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0572","0.0395","","","0.0919","0.1033","","","","","","1.041","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557287","9.0919","0.0005","9.9836","0.0005","11.7719","0.0005","90","","95.822","0.005","90","","1063.02","0.09","296.6","0.3","296.6","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0573","0.0549","","","0.1433","0.1472","","","","","","1.042","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557288","9.6576","0.0005","13.2796","0.0009","17.3578","0.001","90","","99.745","0.005","90","","2194","0.2","295.4","0.4","295.4","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0752","0.0608","","","0.1748","0.194","","","","","","1.044","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557289","7.8691","0.0009","9.8641","0.0008","13.184","0.0009","87.285","0.006","85.531","0.008","74.852","0.009","984.41","0.16","225","100","225","100","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O3 -","- C25 H21 N2 O3 -","- C50 H42 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0877","0.0793","","","0.2132","0.2314","","","","","","1.04","","","","has coordinates,has disorder","257408","2020-10-21","18:00:00",""
"1557290","11.2724","0.0005","6.279","0.0004","12.5272","0.0007","90","","90","","90","","886.67","0.08","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chlorotetrazine","","- C2 H Cl N4 -","- C2 H Cl N4 -","- C16 H8 Cl8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0768","0.0772","","","","","","1.096","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557291","10.7358","0.0003","5.14454","0.00012","14.9437","0.0004","90","","105.056","0.003","90","","797.02","0.04","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenoxy-s-tetrazine","","- C8 H6 N4 O -","- C8 H6 N4 O -","- C32 H24 N16 O4 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0445","0.0345","","","0.0801","0.0868","","","","","","1.048","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557292","38.7645","0.0003","11.93147","0.00014","7.70847","0.00008","90","","90","","90","","3565.3","0.06","160","2","160","2","","","","","","","","3","F d d 2","F 2 -2d","43","","1-(S-tetrazin-3-yl)-1H-indole","","- C10 H7 N5 -","- C10 H7 N5 -","- C160 H112 N80 -","16","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.023","0.0228","","","0.0607","0.0608","","","","","","1.072","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557293","17.7417","0.0003","6.22991","0.00009","23.2377","0.0003","90","","93.9389","0.0013","90","","2562.38","0.07","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-((3-nitropyridin-2-yl)disulfaneyl)ethyl)-1,2,4,5-tetrazin-3-amine","","- C9 H9 N7 O2 S2 -","- C9 H9 N7 O2 S2 -","- C72 H72 N56 O16 S16 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0309","0.0266","","","0.0674","0.0704","","","","","","1.06","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557294","12.7468","0.0005","5.60166","0.00019","12.9507","0.0004","90","","90","","90","","924.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-bromotetrazine","","- C2 H Br N4 -","- C2 H Br N4 -","- C16 H8 Br8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.0512","0.0516","","","","","","1.101","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557295","32.663","0.002","5.161","0.0002","11.0162","0.0006","90","","94.704","0.005","90","","1850.79","0.17","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","Boc-Tyr(Tet)-OMe","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0664","0.0541","","","0.1433","0.1556","","","","","","1.039","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557296","9.6414","0.0005","13.3432","0.0007","19.6279","0.001","90","","95.4683","0.0019","90","","2513.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","germa-aluminocene","","- C22 H39 Al Ge Si2 -","- C22 H39 Al Ge Si2 -","- C88 H156 Al4 Ge4 Si8 -","4","1","","Albers, Lena; Tholen, Patrik; Schmidtmann, Marc; Müller, Thomas","A germaaluminocene","Chemical Science","2020","11","11","2982","2986","10.1039/D0SC00401D","","","0.71073","MoKα","","0.0336","0.0284","","","0.0792","0.0825","","","","","","1.092","","","","has coordinates,has disorder","257403","2020-10-21","18:00:00",""
"1557298","7.7012","0.0002","7.7746","0.0002","12.6751","0.0004","90","","90","","90","","758.91","0.04","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0287","0.0283","","","0.0804","0.081","","","","","","1.046","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557299","6.0826","0.0012","6.0826","0.0012","8.792","0.002","90","","90","","90","","325.29","0.12","298","2","298","2","","","","","","","","3","I -4","I -4","82","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0354","0.0297","","","0.0801","0.0836","","","","","","1.024","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557300","5.6107","0.0001","9.1858","0.0002","12.5998","0.0003","90","","90","","90","","649.38","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O5 -","- C5 H10 O5 -","- C20 H40 O20 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0308","0.0302","","","0.1027","0.1031","","","","","","0.994","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557301","8.091","0.002","9.212","0.002","10.056","0.002","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0714","0.0656","","","0.1799","0.1864","","","","","","1.327","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557331","11.5721","0.0004","16.6408","0.0005","26.1539","0.0008","84.725","0.001","81.758","0.001","89.936","0.001","4962.9","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","rctt-2","","","- C203.82 H244.63 Cl7.63 N0 O40 -","- C203.778 H247.556 Cl7.556 O40 -","- C203.778 H247.556 Cl7.556 O40 -","1","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0916","0.0698","","","0.1901","0.2105","","","","","","1.037","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557332","14.334","0.002","15.534","0.002","16.891","0.002","69.752","0.004","70.947","0.004","76.995","0.003","3308.6","0.7","113","2","113","2","","","","","","","","4","P 1","P 1","1","rcct-3","","","- C112.95 H130.95 Cl15.56 O28 -","- C112.956 H130.956 Cl15.578 O28 -","- C112.956 H130.956 Cl15.578 O28 -","1","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.141","0.1284","","","0.3328","0.3532","","","","","","1.636","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557333","19.6983","0.0014","20.2034","0.0014","26.3162","0.0018","90","","97.77","0.002","90","","10377","1.3","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rctt-2[Ox1]","","","- C106 H124 Cl6 O20 -","- C102.327 H119.327 Cl6.981 O20.243 -","- C409.308 H477.308 Cl27.924 O80.972 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.710747","MoKα","","0.1573","0.1192","","","0.3589","0.3975","","","","","","1.517","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557334","21.532","0.003","19.643","0.003","25.299","0.004","90","","90.699","0.004","90","","10699","3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rccc-2[Ox2]","","","- C108.36 H122.64 Cl2.26 O20 -","- C107.593 H121.799 Cl2.241 O20 -","- C430.372 H487.196 Cl8.964 O80 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.1886","0.1723","","","0.5178","0.5261","","","","","","2.407","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557335","14.4911","0.0011","17.0462","0.0012","27.359","0.002","72.867","0.002","86.978","0.002","77.872","0.002","6313.8","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","rctt-3[Ox1]","","","- C116.82 H140.82 Cl8.45 O28 -","- C116.724 H141.724 Cl8.172 O28 -","- C233.448 H283.448 Cl16.344 O56 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2175","0.1822","","","0.5018","0.5335","","","","","","2.209","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557336","13.0381","0.0003","16.6752","0.0004","17.4483","0.0004","61.711","0.001","79.037","0.001","74.295","0.001","3207.14","0.13","113","2","213","2","","","","","","","","3","P -1","-P 1","2","rctt-4","","","- C76 H74 O11 -","- C77 H76 O10 -","- C154 H152 O20 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0986","0.0666","","","0.1778","0.204","","","","","","1.034","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557337","21.154","0.005","19.669","0.005","25.429","0.007","90","","90.27","0.008","90","","10580","5","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rccc-2","","","- C226.36 H257.54 O43.98 -","- C226.412 H257.64 O43.98 -","- C452.824 H515.28 O87.96 -","2","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2832","0.2119","","","0.5429","0.5675","","","","","","2.195","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557338","13.2696","0.0005","15.8873","0.0006","18.2435","0.0007","90","","93.3","0.002","90","","3839.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 B Eu N5 O17 -","- C31 H49 B Eu N5 O15 -","- C124 H196 B4 Eu4 N20 O60 -","4","1","","Breen, Colum; Pal, Robert; Elsegood, Mark R. J.; Teat, Simon J.; Iza, Felipe; Wende, Kristian; Buckley, Benjamin R.; Butler, Stephen J.","Time-resolved luminescence detection of peroxynitrite using a reactivity-based lanthanide probe","Chemical Science","2020","11","12","3164","3170","10.1039/C9SC06053G","","","0.7288","synchrotron","","0.0314","0.0267","","","0.0661","0.0694","","","","","","1.029","","","","has coordinates,has disorder","257417","2020-10-21","18:00:00",""
"1557341","8.5161","0.0005","10.575","0.0006","15.9557","0.0009","90","","90","","90","","1436.93","0.14","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl0 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Lin, Qianchi; Hu, Bowen; Xu, Xi; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-dioxide/Mg(OTf)2 complex-catalyzed asymmetric [2,3]-rearrangement of in situ generated ammonium salts","Chemical Science","2020","11","11","3068","3073","10.1039/C9SC06342K","","","1.54178","CuKα","","0.0314","0.0313","","","0.0922","0.0922","","","","","","1.024","","","","has coordinates","257407","2020-10-21","18:00:00",""
"1557360","5.6483","0.0005","9.0345","0.0007","9.1851","0.0009","90","","103.599","0.004","90","","455.57","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O4 -","- C8 H14 N2 O4 -","- C16 H28 N4 O8 -","2","0.5","","Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M.","Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s","Chemical Science","2020","11","11","2951","2966","10.1039/C9SC05267D","","","0.71073","MoKα","","0.0376","0.0329","","","0.0896","0.0944","","","","","","1.072","","","","has coordinates","257405","2020-10-21","18:00:00",""
"1557371","7.1378","0.0002","9.8466","0.0002","14.7942","0.0003","88.9786","0.0016","79.0044","0.0017","74.6213","0.0019","983.56","0.04","93","2","93","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C54 H38 N2 O6 -","2","2","","Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi","Accurate chiral pattern recognition for amines from just a single chemosensor","Chemical Science","2020","11","15","3790","3796","10.1039/D0SC00194E","","","0.71073","MoKα","","0.0368","0.0337","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","257387","2020-10-21","18:00:00",""
"1557372","21.4461","0.0012","8.4399","0.0004","7.3436","0.0004","90","","90","","90","","1329.21","0.12","296","2","296.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0568","0.049","","","0.119","0.1277","","","","","","1.091","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557373","9.2973","0.0003","11.5371","0.0004","17.8524","0.0006","99.629","0.001","101.049","0.001","97.562","0.001","1826.25","0.11","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N2 O4 S -","- C48 H36 N2 O4 S -","- C96 H72 N4 O8 S2 -","2","1","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0566","0.0453","","","0.1154","0.1241","","","","","","1.023","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557374","10.5796","0.0014","13.7266","0.0018","14.368","0.0018","85.956","0.005","83.941","0.005","82.064","0.005","2051.7","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","1","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.1839","0.1059","","","0.3102","0.3784","","","","","","1.126","","","","has coordinates,has disorder","257349","2020-10-21","18:00:00",""
"1557376","10.8116","0.0005","14.4381","0.0006","14.9803","0.0007","90","","96.596","0.002","90","","2322.93","0.18","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0366","0.0301","","","0.0704","0.0745","","","","","","1.077","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557377","10.7397","0.0012","14.1109","0.0014","14.679","0.0016","90","","95.98","0.003","90","","2212.5","0.4","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.1056","0.0676","","","0.1345","0.1487","","","","","","1.107","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557378","10.7739","0.0005","13.9861","0.0006","14.5762","0.0007","90","","95.77","0.002","90","","2185.28","0.17","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0499","0.0391","","","0.0809","0.0865","","","","","","1.162","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557379","10.7701","0.001","14.1621","0.0012","14.7425","0.0013","90.082","0.003","96.077","0.003","90.471","0.003","2235.9","0.3","80","2","80.09","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","2","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0955","0.0909","","","0.2265","0.2285","","","","","","1.349","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557380","12.5252","0.0009","16.8071","0.0012","12.9207","0.0011","90","","90.786","0.002","90","","2719.7","0.4","153","2","153","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C60 H56 B2 F8 N2 O8 -","- C60 H56 B2 F7.852 N2 O8 -","- C120 H112 B4 F15.704 N4 O16 -","2","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1604","0.0998","","","0.244","0.2992","","","","","","1.036","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557381","9.3351","0.0006","20.6304","0.0013","9.7275","0.0006","90","","105.289","0.002","90","","1807.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1079","0.0841","","","0.1306","0.1379","","","","","","1.202","","","","has coordinates","257416","2020-10-21","18:00:00",""
"1557382","11.0604","0.0006","16.678","0.0009","15.1704","0.0008","90","","100.639","0.002","90","","2750.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 B F4 N O2 -","- C33 H28 B F4 N O2 -","- C132 H112 B4 F16 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.0531","0.0418","","","0.0963","0.1035","","","","","","1.03","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557383","9.2314","0.0005","19.6394","0.0011","19.9121","0.001","90","","93.605","0.002","90","","3602.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.142","0.0892","","","0.1397","0.1553","","","","","","1.144","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557384","8.497","0.003","13.357","0.005","13.775","0.005","90","","85.689","0.014","90","","1559","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F2 O2 S -","- C17 H18 F2 O2 S -","- C68 H72 F8 O8 S4 -","4","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0712","","","0.1506","0.2022","","","","","","1.011","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557385","10.2309","0.0005","13.2445","0.0005","13.5012","0.0006","66.799","0.001","70.33","0.001","75.627","0.001","1569.19","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Cl F4 O4 S2 -","- C33 H29 Cl F4 O4 S2 -","- C66 H58 Cl2 F8 O8 S4 -","2","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0537","","","0.1584","0.1818","","","","","","1.021","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557394","6.2309","0.0007","7.4169","0.0008","13.0054","0.0015","90","","90.1686","0.0018","90","","601.03","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-([1,1'-biphenyl]-4-yl)dihydrofuran-2(3H)-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","","Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo","Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes","Chemical Science","2020","11","12","3146","3151","10.1039/D0SC00467G","","","0.71073","MoKα","","0.0424","0.0364","","","0.0709","0.0725","","","","","","1","","","","has coordinates","257410","2020-10-21","18:00:00",""
"1557395","22.979","0.005","22.979","0.005","15.496","0.004","90","","90","","120","","7086","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H68 N18 O27 Zn8 -","- C102 H68.0004 N18 O27 Zn8 -","- C306 H204.001 N54 O81 Zn24 -","3","0.166667","","Chen, Sheng-Chun; Zhang, Fei-Hang; Huang, Kun-Lin; Tian, Feng; Zhang, Zhi-Hui; Zhou, Renxian; Feng, Xue-Jun; Zhou, Xiaoying; He, Ming-Yang; Gu, Jiande; Chen, Qun; Wu, Chuan-De","The crucial roles of guest water in a biocompatible coordination network in the catalytic ring-opening polymerization of cyclic esters: a new mechanistic perspective","Chemical Science","2020","11","12","3345","3354","10.1039/C9SC06024C","","","0.71073","MoKα","","0.0825","0.0627","","","0.1507","0.1594","","","","","","1.192","","","","has coordinates","257411","2020-10-21","18:00:00",""
"1557396","16.2062","0.0011","8.1904","0.0004","17.137","0.0007","90","","91.218","0.005","90","","2274.2","0.2","150","0.3","150","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B Br -","- C30 H26 B Br -","- C120 H104 B4 Br4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0994","0.0516","","","0.1045","0.1251","","","","","","1.018","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557397","8.4803","0.0005","9.1672","0.0005","19.9099","0.0011","80.254","0.004","85.195","0.005","68.593","0.005","1419.82","0.15","150.03","0.13","150.03","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 B Br -","- C36 H36 B Br -","- C72 H72 B2 Br2 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0551","0.0442","","","0.119","0.1259","","","","","","1.068","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557398","6.4265","0.0004","15.8695","0.001","20.617","0.0011","90","","97.511","0.005","90","","2084.6","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0689","0.0481","","","0.0809","0.0877","","","","","","1.069","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557399","9.4752","0.0004","9.8107","0.0004","15.1088","0.0006","93.579","0.003","100.145","0.003","90.47","0.003","1379.57","0.1","150.03","0.1","150.03","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0426","0.0376","","","0.092","0.0954","","","","","","1.116","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557400","20.7096","0.0003","6.4384","0.0001","15.5735","0.0002","90","","90","","90","","2076.52","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.044","0.0438","","","0.1085","0.1089","","","","","","1.045","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557401","13.2781","0.0003","5.936","0.0001","18.4485","0.0004","90","","100.58","0.002","90","","1429.37","0.05","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 B Br3 -","- C14 H10 B Br3 -","- C56 H40 B4 Br12 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0453","0.0309","","","0.0661","0.0706","","","","","","1.13","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557402","42.071","0.003","29.3977","0.001","6.6541","0.0002","90","","90","","90","","8229.7","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H42 B2 Br2 O2 -","- C44 H42 B2 Br2 O2 -","- C352 H336 B16 Br16 O16 -","8","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.1173","0.0907","","","0.2404","0.258","","","","","","1.129","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557403","16.0697","0.0011","19.1015","0.0011","7.184","0.0005","90","","99.697","0.006","90","","2173.7","0.2","270","0.1","270","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Br O -","- C28 H22 B Br O -","- C112 H88 B4 Br4 O4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0908","0.0513","","","0.0946","0.108","","","","","","1.065","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557404","8.0182","0.0003","16.5443","0.0007","17.4491","0.0008","64.933","0.004","86.117","0.003","77.027","0.003","2042.2","0.17","99.8","0.5","99.8","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0552","0.0457","","","0.1204","0.1272","","","","","","1.044","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557405","9.836","0.002","10.894","0.002","14.514","0.003","82.02","0.03","73.02","0.03","71.06","0.03","1405.2","0.6","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.1034","0.0698","","","0.1328","0.1467","","","","","","1.02","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557406","13.45","0.003","14.624","0.003","15.214","0.003","91.36","0.03","92.15","0.03","116.43","0.03","2675.1","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 B2 Br2 -","- C58 H54 B2 Br2 -","- C116 H108 B4 Br4 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","","0.71073","MoKα","","0.0889","0.0668","","","0.1815","0.1948","","","","","","1.032","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557428","10.6898","0.0007","11.775","0.0008","11.9913","0.0007","71.708","0.002","65.4407","0.0019","89.239","0.002","1291.4","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.0899","0.0597","","","0.1164","0.1316","","","","","","1.038","","","","has coordinates","257350","2020-10-21","18:00:00",""
"1557429","9.1957","0.0006","10.841","0.0007","13.3381","0.0008","100.85","0.002","100.343","0.002","93.057","0.002","1279.46","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.1091","0.0499","","","0.0814","0.0961","","","","","","1.05","","","","has coordinates,has disorder","257350","2020-10-21","18:00:00",""
"1557430","40.6116","0.0006","14.3027","0.0002","43.1791","0.0009","90","","108.163","0.002","90","","23831.1","0.7","120","0.1","120","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C912 H416 B16 Cl16 F384 N48 O8 Pd8 -","4","0.5","","Martí-Centelles, Vicente; Spicer, Rebecca L.; Lusby, Paul J.","Non-covalent allosteric regulation of capsule catalysis","Chemical Science","2020","11","12","3236","3240","10.1039/D0SC00341G","","x-ray","1.54178","CuKα","","0.103","0.0936","","","0.2484","0.2569","","","","","","1.103","","","","has coordinates,has disorder","257418","2020-10-21","18:00:00",""
"1557435","9.8085","0.0005","8.9262","0.0004","21.7277","0.0009","90","","99.222","0.005","90","","1877.73","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B N2 O5 -","- C20 H19 B N2 O5 -","- C80 H76 B4 N8 O20 -","4","1","","Williams, Alexander F.; White, Andrew J. P.; Spivey, Alan C.; Cordier, Christopher J.","meta-Selective C‒H functionalisation of aryl boronic acids directed by a MIDA-derived boronate ester","Chemical Science","2020","11","12","3301","3306","10.1039/D0SC00230E","","","0.71073","MoKα","","0.0648","0.0439","","","0.0895","0.1012","","","","","","1.044","","","","has coordinates","257412","2020-10-21","18:00:00",""
"1557437","23.302","0.005","23.302","0.005","21.347","0.004","90","0.03","90","0.03","120","0.03","10038","5","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C172 H168 Ca F21 N24 O30 Rh6 S7 -","- C169 H168 Ca F12 N24 O21 Rh6 S4 -","- C338 H336 Ca2 F24 N48 O42 Rh12 S8 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.0576","0.0545","","","0.1565","0.1621","","","","","","1.068","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557438","22.5096","0.0015","25.221","0.002","39.36","0.003","72.977","0.003","89.886","0.004","76.76","0.004","20747","3","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C333 H250 F35 K2 N99 O100 Rh12 S7 -","- C335 F24 K2 N48 O43 Rh12 S8 -","- C670 F48 K4 N96 O86 Rh24 S16 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34139","GaKα","","0.2025","0.1885","","","0.4726","0.4884","","","","","","2.124","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557439","22.673","0.005","22.673","0.005","20.482","0.004","90","0.03","90","0.03","120","0.03","9118","4","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C170 H185 F24 N24 O34.5 Rh6 S8 Sr -","- C170 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C340 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1205","0.0868","","","0.1834","0.2097","","","","","","1.053","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557440","22.564","0.003","22.564","0.003","20.375","0.003","90","","90","","120","","8984","2","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C173 H189 F24 N24 O37.5 Rh6 S8 Sr -","- C173 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C346 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1109","0.1065","","","0.3181","0.3222","","","","","","1.075","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557441","72.911","0.005","20.9282","0.0014","33.246","0.002","90","","106.419","0.002","90","","48661","6","173","2","173.05","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C190 H252 Ba2 F30 N24 O60 Rh6 S14 -","- C175 H184 Ba2 F18 N24 O32 Rh6 S7 -","- C1400 H1472 Ba16 F144 N192 O256 Rh48 S56 -","8","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1012","0.0929","","","0.2998","0.313","","","","","","1.346","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557442","14.557","0.003","10.2366","0.0005","8.2137","0.0014","90","","141.27","0.04","90","","765.8","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 Ni O2 -","- C16 H20 N2 Ni O2 -","- C32 H40 N4 Ni2 O4 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0318","0.0281","","","0.0708","0.0733","","","","","","1.048","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557443","8.3939","0.0004","14.9329","0.0008","8.7611","0.0006","90","","108.791","0.008","90","","1039.63","0.11","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 Ni O6 -","- C20 H28 N2 Ni O6 -","- C40 H56 N4 Ni2 O12 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","0.71075","MoKα","","0.0538","0.0418","","","0.08","0.0846","","","","","","1.046","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557444","22.4997","0.0012","8.4913","0.0003","17.7726","0.0007","90","","111.646","0.005","90","","3156","0.3","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H35 F6 N5 Ni O2 P -","- C31 H35 F6 N5 Ni O2 P -","- C124 H140 F24 N20 Ni4 O8 P4 -","4","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0692","0.0526","","","0.132","0.1434","","","","","","1.071","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557445","5.8903","0.0003","7.8065","0.0004","11.6922","0.0006","90.458","0.003","101.223","0.003","93.037","0.003","526.52","0.05","223","","223.15","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","1","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","0.0856","0.0689","","","0.1962","0.2081","","","","","","1.068","","","","has coordinates,has disorder","257323","2020-10-21","18:00:00",""
"1557446","7.45474","0.00015","16.2651","0.0003","6.76866","0.00016","90","","90.98","0.002","90","","820.59","0.03","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 S4 -","- C20 H14 S4 -","- C40 H28 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","0.71073","MoKα","","0.0451","0.0358","","","0.0954","0.0999","","","","","","1.076","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557447","7.6311","0.0003","17.4783","0.0007","5.2771","0.0002","90","","91.18","0.003","90","","703.7","0.05","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 S4 -","- C16 H12 S4 -","- C32 H24 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","","0.0754","","","","0.2144","","","","","","1.233","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557448","9.423","0.007","10.032","0.006","11.391","0.007","90","","104.61","0.02","90","","1042","1.2","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H26 -","- C26 H26 -","- C52 H52 -","2","1","","Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu","Copper-catalyzed enantioselective arylalkynylation of alkenes.","Chemical science","2020","11","6","1623","1628","10.1039/c9sc04029c","","","0.71073","MoKα","","0.1028","0.0628","","","0.1624","0.1939","","","","","","1.046","","","","has coordinates,has disorder","250233","2020-10-21","18:00:00",""
"1557449","11.0592","0.0004","12.9006","0.0003","18.7834","0.0005","98.063","0.002","91.131","0.002","103.315","0.003","2578.25","0.14","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H72 Cl F3 N3 O3 P S -","- C55 H72 Cl F3 N3 O3 P S -","- C110 H144 Cl2 F6 N6 O6 P2 S2 -","2","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0483","0.042","","","0.1129","0.1182","","","","","","1.082","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557450","19.16275","0.00015","13.46701","0.0001","28.2924","0.0002","90","","94.584","0.0007","90","","7277.92","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H80 Cl15 Ga3 N3 P -","- C59 H80 Cl15 Ga3 N3 P -","- C236 H320 Cl60 Ga12 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0384","0.036","","","0.0954","0.0974","","","","","","1.034","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557451","18.56527","0.00011","11.96597","0.00007","22.85445","0.00016","90","","101.614","0.0006","90","","4973.19","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 N3 P -","- C57 H76 N3 P -","- C228 H304 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0459","0.0419","","","0.1173","0.1215","","","","","","1.037","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557452","24.13916","0.00017","18.9021","0.00013","26.08922","0.00018","90","","90","","90","","11904","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 Cl8 Ga2 N3 P -","- C54 H72 Cl8 Ga2 N3 P -","- C432 H576 Cl64 Ga16 N24 P8 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1232","0.1251","","","","","","1.03","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557453","11.5123","0.0002","12.8811","0.0002","37.2397","0.0005","90","","97.724","0.001","90","","5472.21","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl4 Ga N3 P -","- C54 H72 Cl4 Ga N3 P -","- C216 H288 Cl16 Ga4 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0642","0.0544","","","0.1072","0.1106","","","","","","1.174","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557454","12.5627","0.0001","15.9337","0.0002","23.6169","0.0002","90","","93.554","0.001","90","","4718.31","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N3 P -","- C54 H72 N3 P -","- C216 H288 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.0921","0.0933","","","","","","1.03","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557455","40.7612","0.0006","12.3237","0.0002","23.4798","0.0003","90","","101.398","0.001","90","","11562","0.3","100","0.13","100","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C115 H154 Cl10 Ga2 N6 P2 -","- C115 H154 Cl10 Ga2 N6 P2 -","- C460 H616 Cl40 Ga8 N24 P8 -","4","0.5","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0873","0.0517","","","0.1046","0.1194","","","","","","1.036","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557456","8.3861","0.0003","11.5994","0.0004","14.05","0.0005","86.881","0.002","79.282","0.002","83.876","0.002","1334.35","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","1","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.033","0.0272","","","0.0633","0.0673","","","","","","1.077","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557457","22.1326","0.0005","8.3936","0.0002","22.8868","0.0006","90","","109.561","0.001","90","","4006.34","0.17","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 Ag2 Li2 N4 -","- C36 H72 Ag2 Li2 N4 -","- C144 H288 Ag8 Li8 N16 -","4","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.0345","0.0257","","","0.0517","0.0537","","","","","","1.128","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557458","12.4986","0.0002","14.8962","0.0002","21.7554","0.0004","90","","93.742","0.002","90","","4041.82","0.11","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Ag Li N2 O3 -","- C42 H56 Ag Li N2 O3 -","- C168 H224 Ag4 Li4 N8 O12 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0349","0.0328","","","0.1101","0.1128","","","","","","0.962","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557459","13.3743","0.0002","18.2477","0.0002","22.9463","0.0003","90","","103.316","0.002","90","","5449.49","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 Ag2 Li2 N4 O2 -","- C56 H84 Ag2 Li2 N4 O2 -","- C224 H336 Ag8 Li8 N16 O8 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0397","0.0362","","","0.0944","0.0963","","","","","","1.131","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557502","10.7583","0.0004","20.7341","0.0005","12.2345","0.0005","90","","101.16","0.004","90","","2677.47","0.17","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","0.71073","MoKα","","0.0566","0.0413","","","0.0901","0.0959","","","","","","1.084","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557503","10.866","0.001","21.1945","0.0018","12.2707","0.0009","90","","101.413","0.008","90","","2770.1","0.4","335","","335","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1498","0.0699","","","0.176","0.2218","","","","","","0.982","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557504","10.874","0.0009","20.9284","0.0016","12.2372","0.0008","90","","101.859","0.007","90","","2725.4","0.4","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1177","0.0639","","","0.1583","0.1899","","","","","","1.012","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557505","10.9375","0.0009","21.278","0.0015","12.2835","0.0007","90","","100.818","0.006","90","","2807.9","0.3","380","","380","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1831","0.0743","","","0.1784","0.2334","","","","","","0.996","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557506","14.987","0.003","16.858","0.003","17.478","0.004","116.53","0.03","107.31","0.03","93.21","0.03","3679","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0511","0.0431","","","0.1265","0.1324","","","","","","1.027","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557507","13.914","0.003","20.891","0.004","21.446","0.004","71.94","0.03","87.87","0.03","81.2","0.03","5857","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0644","0.0525","","","0.1555","0.1633","","","","","","1.139","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557508","14.0177","0.0005","28.7314","0.0008","17.0738","0.0006","90","","110.611","0.004","90","","6436.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H84 Cu4 N4 O24 -","- C116 H84 Cu4 N4 O24 -","- C232 H168 Cu8 N8 O48 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","MoKα","","0.0879","0.055","","","0.1362","0.1518","","","","","","1.028","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557509","25.8186","0.0007","22.6806","0.0006","27.2079","0.0006","90","","109.69","0.003","90","","15000.9","0.7","150","2","150","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C53 H31 Cu2 N O12 -","- C53 H31 Cu2 N O12 -","- C424 H248 Cu16 N8 O96 -","8","1","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","x-ray","0.71073","MoKα","","0.1244","0.0758","","","0.2011","0.2289","","","","","","1.035","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557510","19.687","0.004","28.163","0.006","10.475","0.002","90","","97.91","0.03","90","","5753","2","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C106 H60 Cu4 O24 -","- C106 H60 Cu4 O24 -","- C212 H120 Cu8 O48 -","2","0.25","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0469","0.0429","","","0.1188","0.1216","","","","","","1.054","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557511","14.151","0.003","32.563","0.007","26.766","0.005","90","","102.26","0.03","90","","12052","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Cu4 O24 S4 -","- C108 H72 Cu4 O24 S4 -","- C432 H288 Cu16 O96 S16 -","4","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0892","0.0714","","","0.2226","0.2406","","","","","","1.053","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557512","20.979","0.004","21.168","0.004","23.76","0.005","90","","108.37","0.03","90","","10014","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H124 Cu4 N12 O20 -","- C168 H124 Cu4 N12 O20 -","- C336 H248 Cu8 N24 O40 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.1807","0.122","","","0.3456","0.3929","","","","","","1.024","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557513","8.613","0.0019","17.7","0.008","9.511","0.002","90","","90","","90","","1450","0.8","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H21 N2 O0.1 P -","- C16 H21 N2 O0.1 P -","- C64 H84 N8 O0.4 P4 -","4","0.5","","Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei","Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications","Chemical Science","2020","11","14","3672","3679","10.1039/C9SC05883D","","x-ray","1.54184","CuKα","","0.1359","0.1192","","","0.3078","0.3238","","","","","","1.152","","","","has coordinates,has disorder","257354","2020-10-21","18:00:00",""
"1557531","13.699","0.0007","13.699","0.0007","9.5293","0.0005","90","","90","","90","","1788.29","0.16","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 N O10 W -","- C21 Al F36 N O10 W -","- C42 Al2 F72 N2 O20 W2 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0236","0.0235","","","0.0734","0.0735","","","","","","1.126","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557532","17.285","0.003","17.285","0.003","17.285","0.003","90","","90","","90","","5164.3","1.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 Mo O12 -","- C30 Al2 F55 Mo O12 -","- C120 Al8 F220 Mo4 O48 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0671","0.0537","","","0.1469","0.1549","","","","","","1.191","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557533","13.759","0.0006","13.759","0.0006","9.5821","0.0007","90","","90","","90","","1813.99","0.17","373","2","373","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C22 Al F36 Mo O10 -","- C22 Al F36 Mo O10 -","- C44 Al2 F72 Mo2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0412","0.038","","","0.0932","0.0951","","","","","","1.114","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557534","17.3168","0.0003","17.3168","0.0003","17.3168","0.0003","90","","90","","90","","5192.82","0.16","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 O12 W -","- C30 Al2 F55 O12 W -","- C120 Al8 F220 O48 W4 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0822","0.0762","","","0.1448","0.1474","","","","","","1.375","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557535","13.7152","0.0003","13.7152","0.0003","9.5418","0.0003","90","","90","","90","","1794.88","0.08","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 Mo N O10 -","- C21 Al F36 Mo N O10 -","- C42 Al2 F72 Mo2 N2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0242","0.0226","","","0.0555","0.0565","","","","","","1.029","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557536","11.5888","0.0008","11.5986","0.0008","12.7755","0.0008","82.965","0.002","67.136","0.002","87.863","0.002","1570.27","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","1","0.5","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0274","0.0242","","","0.0532","0.0548","","","","","","0.993","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557537","11.3269","0.0006","12.2795","0.0006","23.4349","0.0011","76.883","0.001","86.161","0.001","66.485","0.001","2909.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 Al2 Cl3 F55 O14 W2 -","- C32 Al2 Cl3 F55 O14 W2 -","- C64 Al4 Cl6 F110 O28 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.026","0.019","","","0.0382","0.0406","","","","","","1.034","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557538","13.9703","0.0004","28.8124","0.0009","20.6169","0.0006","90","","90.443","0.001","90","","8298.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 Al2 F72 I3 Mo3 O22 -","- C46 Al2 F72 I3 Mo3 O22 -","- C184 Al8 F288 I12 Mo12 O88 -","4","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0418","0.034","","","0.0837","0.0884","","","","","","1.06","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557539","10.5119","0.0007","12.5617","0.0008","21.1226","0.0015","85.595","0.002","76.545","0.003","78.485","0.002","2656.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 Al2 F55 I O12 W -","- C30 Al2 F55 I O12 W -","- C60 Al4 F110 I2 O24 W2 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0615","0.0424","","","0.0867","0.0933","","","","","","1.061","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557540","15.848","0.003","17.229","0.003","22.395","0.004","94.072","0.003","102.24","0.003","101.653","0.003","5811.1","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 Al4 F128 O26 W2 -","- C68.004 Al4 F128.009 O26.001 W2 -","- C136.008 Al8 F256.018 O52.002 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0519","0.0303","","","0.0611","0.0698","","","","","","1.018","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557541","16.438","0.0006","28.3511","0.001","17.5878","0.0006","90","","110.764","0.002","90","","7664.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 Al F36 I O10 W -","- C22 Al F36 I O10 W -","- C176 Al8 F288 I8 O80 W8 -","8","2","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0503","0.0427","","","0.1162","0.1208","","","","","","1.054","","","","has coordinates","274176","2022-03-31","10:10:29",""
"1557542","13.385","0.0011","21.4285","0.0017","31.305","0.003","85.822","0.003","81.782","0.003","83.84","0.003","8820.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 Al6 F165 I6 Mo6 O42 -","- C96 Al6 F165 I6 Mo6 O42 -","- C192 Al12 F330 I12 Mo12 O84 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.1007","0.0698","","","0.1668","0.1822","","","","","","1.102","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557543","16.2198","0.0007","10.77","0.0006","28.9971","0.0015","90","","96.1","0.004","90","","5036.7","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 N2 O -","- C57 H88 N2 O -","- C228 H352 N8 O4 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1485","0.0785","","","0.1626","0.1945","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557544","12.8246","0.0002","21.5786","0.0003","24.2161","0.0003","90","","103.493","0.001","90","","6516.52","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Mg2 N8 -","- C71 H94 Mg2 N8 -","- C284 H376 Mg8 N32 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0565","0.0518","","","0.1362","0.1398","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557545","12.4858","0.0002","12.0704","0.0002","31.1338","0.0005","90","","92.762","0.001","90","","4686.68","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Mg2 N6 -","- C49 H60 Mg2 N6 -","- C196 H240 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0717","0.0634","","","0.1522","0.1572","","","","","","1.038","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557546","18.2067","0.0001","26.3297","0.0001","25.8355","0.0002","90","","105.806","0.001","90","","11916.7","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C137.5 H189.63 I0.04 Mg2 N4 O0.13 -","- C137.5 H189.63 I0.034 Mg2 N4 O0.13 -","- C550 H758.52 I0.136 Mg8 N16 O0.52 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0774","0.0679","","","0.1816","0.1881","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557547","15.1058","0.0002","19.0783","0.0002","20.0582","0.0002","85.762","0.001","88.909","0.001","66.998","0.001","5306.17","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H144 Mg4 N12 O4 -","- C117 H144 Mg4 N12 O4 -","- C234 H288 Mg8 N24 O8 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0672","0.0593","","","0.1696","0.1771","","","","","","1.026","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557548","18.7699","0.0003","15.7829","0.0002","22.8274","0.0004","90","","109.172","0.002","90","","6387.4","0.19","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H86 Mg2 N8 -","- C70 H86 Mg2 N8 -","- C280 H344 Mg8 N32 -","4","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0425","0.04","","","0.1086","0.1105","","","","","","1.046","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557549","18.7194","0.0002","11.3129","0.0001","26.0645","0.0003","90","","103.791","0.001","90","","5360.57","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 Mg2 N6 -","- C57 H76 Mg2 N6 -","- C228 H304 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0583","0.0505","","","0.1395","0.1504","","","","","","1.085","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557550","10.437","0.0002","14.8235","0.0004","18.7188","0.0005","84.547","0.002","75.886","0.002","71.426","0.002","2661.85","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H87 I Mg N2 O -","- C57 H87 I Mg N2 O -","- C114 H174 I2 Mg2 N4 O2 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0451","0.0375","","","0.0951","0.0994","","","","","","1.049","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557551","17.919","0.0006","19.6004","0.0009","20.9467","0.0007","79.292","0.003","75.685","0.003","86.86","0.003","7004","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C151 H208 Mg4 N12 O6 -","- C151 H208 Mg4 N12 O6 -","- C302 H416 Mg8 N24 O12 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1648","0.09","","","0.255","0.3129","","","","","","1.042","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557552","15.48","0.003","15.114","0.003","27.505","0.006","90","","103.08","0.03","90","","6268","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H184 Mg4 N12 O12 -","- C102 H120 Mg4 N12 O4 -","- C204 H240 Mg8 N24 O8 -","2","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.7109","Synchrotron","","0.2102","0.1035","","","0.2942","0.3675","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557570","8.27","0.0008","9.1848","0.0009","12.4194","0.0012","71.619","0.005","82.065","0.005","79.191","0.005","876.19","0.15","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0791","0.0604","","","0.1568","0.1734","","","","","","1.053","","","","has coordinates","257348","2020-10-21","18:00:00",""
"1557571","10.9162","0.0011","11.3807","0.0011","31.809","0.003","90","","90","","90","","3951.8","0.7","150","2","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 N4 O11 -","- C44 H44 N4 O11 -","- C176 H176 N16 O44 -","4","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0762","0.0591","","","0.1526","0.1645","","","","","","1.063","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557572","9.2321","0.0019","18.768","0.004","18.876","0.004","90","","93.72","0.03","90","","3263.7","1.2","190","2","190.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","exo,exo-7-oxa-5-norbornene-2,3-dicarboxylic acid","","- C8 H8 O5 -","- C8 H8 O5 -","- C128 H128 O80 -","16","8","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.1096","0.0584","","","0.1352","0.1632","","","","","","1.023","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557580","6.4901","0.0002","13.5853","0.0004","17.2054","0.0006","90","","90","","90","","1517","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 O3 S -","- C15 H12 N4 O3 S -","- C60 H48 N16 O12 S4 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0369","0.0332","","","0.0885","0.0922","","","","","","1.055","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557581","6.2023","0.0002","15.1707","0.0004","23.3424","0.0007","90","","90","","90","","2196.36","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0508","0.0391","","","0.1005","0.1092","","","","","","1.046","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557582","7.6364","0.0001","11.6851","0.0002","11.5473","0.0002","90","","104.259","0.002","90","","998.65","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br2 N4 O3 -","- C18 H14 Br2 N4 O3 -","- C36 H28 Br4 N8 O6 -","2","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1042","0.1061","","","","","","1.059","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557583","10.3148","0.0002","11.9114","0.0003","14.6673","0.0003","90","","90","","90","","1802.08","0.07","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F N4 O3 -","- C19 H15 F N4 O3 -","- C76 H60 F4 N16 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","1.54178","CuKα","","0.0747","0.0691","","","0.2196","0.2314","","","","","","1.048","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557584","6.6447","0.0005","14.3101","0.0011","22.5008","0.0017","90","","90","","90","","2139.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0682","0.043","","","0.0935","0.1084","","","","","","0.996","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557585","18.1194","0.0003","20.3557","0.0003","43.9834","0.0007","90","","90","","90","","16222.5","0.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C37 H61 Eu N8 O15 -","- C37 H47 Eu N8 O15 -","- C592 H752 Eu16 N128 O240 -","16","0.5","","Hewitt, Sarah H.; Macey, Georgina; Mailhot, Romain; Elsegood, Mark R. J.; Duarte, Fernanda; Kenwright, Alan M.; Butler, Stephen J.","Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array","Chemical Science","2020","11","14","3619","3628","10.1039/D0SC00343C","","","0.71073","MoKα","","0.0487","0.0461","","","0.114","0.1153","","","","","","1.296","","","","has coordinates,has disorder","257355","2020-10-21","18:00:00",""
"1557586","5.8675","0.0003","12.4208","0.0007","24.4967","0.0014","90","","90","","90","","1785.3","0.17","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br Cl0 N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Shen, Bin; He, Qianwen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed enantioselective aza-Piancatelli rearrangement/Diels‒Alder cascade reaction","Chemical Science","2020","11","15","3862","3867","10.1039/D0SC00542H","","","0.71073","MoKα","","0.0374","0.03","","","0.066","0.0705","","","","","","1.04","","","","has coordinates","257386","2020-10-21","18:00:00",""
"1557587","6.732","0.0007","7.228","0.0006","12.0162","0.0017","80.831","0.011","86.517","0.011","62.902","0.008","513.81","0.11","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Br N O -","- C11 H10 Br N O -","- C22 H20 Br2 N2 O2 -","2","1","","Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi","Chromium-catalyzed cyclopropanation of alkenes with bromoform in the presence of 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-dihydropyrazine","Chemical Science","2020","11","14","3604","3609","10.1039/D0SC00964D","","","0.71075","MoKα","","0.0327","0.0286","","","0.0684","0.069","","","","","","0.988","","","","has coordinates","257357","2020-10-21","18:00:00",""
"1557598","10.186","0.00006","11.3558","0.00007","15.5296","0.0001","90","","90","","90","","1796.31","0.019","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","1","","Zhang, Shuyue; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem sequential catalytic enantioselective synthesis of highly-functionalised tetrahydroindolizine derivatives","Chemical Science","2020","11","15","3885","3892","10.1039/D0SC00432D","","","1.54184","CuKα","","0.0374","0.0371","","","0.1016","0.102","","","","","","1.064","","","","has coordinates","257379","2020-10-21","18:00:00",""
"1557603","17.4822","0.0003","9.78677","0.00016","20.9912","0.0004","90","","103.576","0.0017","90","","3491.13","0.11","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O2 S -","- C21 H17 N3 O2 S -","- C168 H136 N24 O16 S8 -","8","1","","Li, Guofeng; Zhao, Man; Xie, Junqiu; Yao, Ying; Mou, Lingyun; Zhang, Xiaowei; Guo, Xiaomin; Sun, Wangsheng; Wang, Zheng; Xu, Jiecheng; Xue, Jianzhong; Hu, Tao; Zhang, Ming; Li, Min; Hong, Liang","Efficient synthesis of cyclic amidine-based fluorophores via 6π-electrocyclic ring closure","Chemical Science","2020","11","14","3586","3591","10.1039/D0SC00798F","","x-ray","1.54184","CuKα","","0.0406","0.0369","","","0.0945","0.0982","","","","","","1.035","","","","has coordinates","257352","2020-10-21","18:00:00",""
"1557604","12.7105","0.001","28.115","0.002","8.1727","0.0007","90","","105.391","0.002","90","","2815.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 N2 O2 P2 U -","- C20 H44 Cl2 N2 O2 P2 U -","- C80 H176 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0541","0.0474","","","0.1391","0.1439","","","","","","1.091","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557605","14.48","0.002","14.59","0.002","12.5668","0.0018","90","","102.29","0.004","90","","2594.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl2 N2 O2 P2 U -","- C18 H40 Cl2 N2 O2 P2 U -","- C72 H160 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0776","0.0647","","","0.1935","0.2195","","","","","","1.125","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557606","16.3226","0.0016","22.813","0.002","14.7718","0.0015","90","","90","","90","","5500.5","0.9","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C160 H352 Cl16 N16 O16 P16 Pd8 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0554","0.0332","","","0.0685","0.0776","","","","","","1.013","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557607","12.663","0.0008","21.4809","0.0013","23.0838","0.0017","90","","99.354","0.002","90","","6195.6","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C176 H384 Cl16 N16 O24 P16 Pt12 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0439","0.0376","","","0.0948","0.0985","","","","","","1.066","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557608","11.3508","0.0018","12.914","0.002","20.597","0.004","90","","95.165","0.007","90","","3006.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C88 H192 Cl8 N8 Ni4 O12 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.1126","0.0977","","","0.2146","0.2235","","","","","","1.112","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557609","14.5223","0.0019","15.8953","0.0018","27.339","0.003","90","","103.728","0.003","90","","6130.6","1.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C176 H384 Cl16 N16 Ni8 O20 P16 U8 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0591","0.0465","","","0.1383","0.1495","","","","","","1.002","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557610","12.208","0.003","12.209","0.003","17.048","0.004","108.557","0.007","90.701","0.008","108.839","0.007","2261","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C80 H126 Cl4 N4 O6 P6 Pd2 U2 -","2","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0359","0.0344","","","0.094","0.0956","","","","","","1.042","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557613","7.3975","0.0003","10.7485","0.0005","13.1441","0.0005","92.571","0.003","96.25","0.004","97.449","0.004","1028.29","0.08","292.1","0.3","292.1","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O5 S -","- C22 H28 O5 S -","- C44 H56 O10 S2 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","x-ray","1.54184","CuKα","","0.0507","0.0428","","","0.1155","0.1223","","","","","","1.047","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557614","7.6688","0.0003","22.4305","0.0006","15.4747","0.0005","90","","101.329","0.004","90","","2610.02","0.15","292.89","0.12","292.89","0.12","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro–Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0551","0.0456","","","0.1221","0.1371","","","","","","1.063","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557615","7.1285","0.0003","11.9273","0.0004","13.4833","0.0005","90","","104.629","0.004","90","","1109.24","0.08","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0457","0.0424","","","0.1158","0.1188","","","","","","1.062","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557616","7.2165","0.0003","8.3504","0.0003","11.317","0.0004","82.649","0.003","76.258","0.003","68.964","0.004","617.61","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0473","0.0447","","","0.1181","0.1208","","","","","","1.084","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557617","10.3539","0.0002","19.9619","0.0004","11.8443","0.0003","90","","113.384","0.003","90","","2246.95","0.1","295","0.1","295","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.046","0.0406","","","0.1095","0.1146","","","","","","1.033","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557618","9.961","0.0003","17.5295","0.0006","13.2899","0.0004","90","","101.667","0.003","90","","2272.62","0.13","295.3","0.2","295.3","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0666","0.0565","","","0.159","0.17","","","","","","1.046","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557625","9.1199","0.0002","23.4191","0.0006","23.6083","0.0007","90","","90","","90","","5042.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound 1","","","- C48 H55 Au F6 N4 O11 S2 -","- C48 H55 Au F6 N4 O11 S2 -","- C192 H220 Au4 F24 N16 O44 S8 -","4","1","","Reid, Jolene P.; Hu, Mingyou; Ito, Susumu; Huang, Banruo; Hong, Cynthia M.; Xiang, Hengye; Sigman, Matthew S.; Toste, F. Dean","Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels‒Alder reactions","Chemical Science","2020","11","25","6450","6456","10.1039/D0SC00497A","","x-ray","0.71073","MoKα","","0.0424","0.0309","","","0.0512","0.0529","","","","","","1.033","","","","has coordinates","257338","2020-10-21","18:00:00",""
"1557626","20.9953","0.0003","20.9953","0.0003","20.9953","0.0003","90","","90","","90","","9254.8","0.2","100","0.1","100","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-217","MOF-217","","- C21 H9 N3 O6 Ti -","- C21 H9 N3 O6 Ti -","- C168 H72 N24 O48 Ti8 -","8","0.333333","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1243","0.114","","","0.3654","0.3772","","","","","","1.634","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557627","21.1222","0.0004","21.1222","0.0004","21.1222","0.0004","90","","90","","90","","9423.6","0.3","249.99","0.1","249.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C3.5 H1.5 N0.5 O Ti0.17 -","- C3.5 H1.5 N0.5 O Ti0.166667 -","- C168 H72 N24 O48 Ti8 -","48","2","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1201","0.1083","","","0.3521","0.3639","","","","","","1.534","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557628","21.1205","0.0003","21.1205","0.0003","21.1205","0.0003","90","","90","","90","","9421.3","0.2","199.99","0.1","199.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C H N O Ti -","- C1.28244 H0.549618 N0.183206 O0.366412 Ti0.0610687 -","- C168 H72 N24 O48 Ti8 -","131","5.45833","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1197","0.1096","","","0.3658","0.377","","","","","","1.624","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557633","7.3","0.005","11.867","0.008","15.598","0.009","78.16","0.04","80.45","0.04","88.78","0.05","1304.1","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H10 B Br F15 N -","- C26 H10 B Br F15 N -","- C52 H20 B2 Br2 F30 N2 -","2","1","","Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi","Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions","Chemical Science","2020","11","17","4305","4311","10.1039/D0SC01159B","","","0.71075","MoKα","","0.1239","0.0518","","","0.1073","0.1267","","","","","","0.834","","","","has coordinates","257319","2020-10-21","18:00:00",""
"1557634","9.6311","0.0006","19.6619","0.0013","13.541","0.0009","90","","106.977","0.001","90","","2452.5","0.3","193","2","193","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BIP_CH2NEt2","2-(3?,5?-Di-tert-butyl-2?-hydroxyphenyl)-4-diethylmethyleneaminebenzimidazole","","- C26 H37 N3 O -","- C26 H37 N3 O -","- C104 H148 N12 O4 -","4","1","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0831","0.0663","","","0.185","0.2005","","","","","","1.068","","","","has coordinates,has disorder","257385","2020-10-21","18:00:00",""
"1557635","33.136","0.004","6.8671","0.0008","30.967","0.004","90","","100.031","0.002","90","","6938.8","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diBIP-Imine-OMe","7-(4-Methoxyphenyliminomethyl-1H-benzimidazole-2-yl)-2-(3,5-di-tert-butyl-2-hydroxyphenyl-1-yl)-1H-benzimidazole","","- C73 H76 Cl2 N10 O4 -","- C73 H76 Cl2 N10 O4 -","- C292 H304 Cl8 N40 O16 -","4","0.5","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0977","0.0667","","","0.147","0.1607","","","","","","1.054","","","","has coordinates","257385","2020-10-21","18:00:00",""
"1557636","10.4608","0.0008","10.9006","0.001","12.5293","0.001","104.61","0.005","107.84","0.004","97.204","0.004","1283.78","0.19","150","2","149.72","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0211","0.018","","","0.0421","0.0433","","","","","","1.08","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557637","13.388","0.003","6.6366","0.0012","15.567","0.002","90","","98.599","0.014","90","","1367.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O7 Tb -","- C11 H10 N O7 Tb -","- C44 H40 N4 O28 Tb4 -","4","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0681","0.0369","","","0.0495","0.0552","","","","","","1.055","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557638","5.9915","0.0004","29.952","0.002","7.8574","0.0005","90","","95.092","0.002","90","","1404.5","0.16","296","2","296.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S2 -","- C15 H11 N O2 S2 -","- C60 H44 N4 O8 S8 -","4","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","","0.71073","MoKα","","0.0789","0.0615","","","0.1196","0.1252","","","","","","1.172","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557639","9.234","0.0003","9.723","0.0003","10.6174","0.0003","99.463","0.002","113.869","0.003","105.929","0.003","796.06","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 O3 S2 -","- C18 H15 O3 S2 -","- C36 H30 O6 S4 -","2","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1062","0.1067","","","","","","1.037","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557640","23.8898","0.0002","6.7617","0.0001","24.8099","0.0002","90","","102.215","0.001","90","","3916.95","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O3 S2 -","- C30 H27 Br O3 S2 -","- C180 H162 Br6 O18 S12 -","6","3","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0385","0.037","","","0.0959","0.0971","","","","","","1.043","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557644","22.436","0.004","22.436","0.004","38.165","0.008","90","","90","","90","","19211","6","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C112 H192 In26 Mn4 N32 S51 -","- In26 Mn4 S51 -","- In104 Mn16 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.0946","0.0514","","","0.1645","0.2018","","","","","","1.175","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557645","22.329","0.002","22.329","0.002","38.059","0.003","90","","90","","90","","18976","3","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C112 H192 Fe4 In26 N32 O0 S51 -","- Fe4 In26 S51 -","- Fe16 In104 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.1319","0.0827","","","0.2055","0.264","","","","","","1.326","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557646","8.9606","0.0003","9.9217","0.0004","11.8105","0.0004","72.29","0.003","88.75","0.003","63.972","0.004","891.12","0.07","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhao, Qiang; Jin, Ji-Kang; Wang, Jie; Zhang, Feng-Lian; Wang, Yi-Feng","Radical α-addition involved electrooxidative [3 + 2] annulation of phenols and electron-deficient alkenes","Chemical Science","2020","11","15","3909","3913","10.1039/D0SC01078B","","","1.54184","CuKα","","0.0312","0.0299","","","0.0782","0.0795","","","","","","1.047","","","","has coordinates","257382","2020-10-21","18:00:00",""
"1557647","11.3991","0.0007","63.596","0.003","13.7285","0.0008","90","","92.383","0.002","90","","9943.7","1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Ho Li3 O6 -","- C54 H72 Fe3 Ho Li3 O6 -","- C432 H576 Fe24 Ho8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1061","0.0848","","","0.1426","0.1511","","","","","","1.224","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557648","11.3774","0.0012","63.872","0.007","13.7293","0.0015","90","","92.491","0.004","90","","9967.6","1.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Gd Li3 O6 -","- C54 H72 Fe3 Gd Li3 O6 -","- C432 H576 Fe24 Gd8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0802","0.0685","","","0.1267","0.1323","","","","","","1.274","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557649","11.4155","0.0006","63.489","0.003","13.73","0.0007","90","","92.17","0.002","90","","9943.8","0.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Yb -","- C54 H72 Fe3 Li3 O6 Yb -","- C432 H576 Fe24 Li24 O48 Yb8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0862","0.0774","","","0.1571","0.1617","","","","","","1.294","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557650","11.3389","0.0004","13.7172","0.0005","36.2329","0.0012","90","","95.344","0.001","90","","5611.1","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Fe3 Ho Li3 O6 -","- C60 H84 Fe3 Ho Li3 O6 -","- C240 H336 Fe12 Ho4 Li12 O24 -","4","1","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0998","0.0931","","","0.1648","0.1666","","","","","","1.353","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557651","21.206","0.0009","22.6446","0.001","23.1321","0.0011","90","","90","","90","","11108.1","0.9","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64.38 H58.38 Fe3 Ho Li3 N6.88 -","- C64.375 H58.375 Fe3 Ho Li3 N6.875 -","- C515 H467 Fe24 Ho8 Li24 N55 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.092","0.0494","","","0.0932","0.1135","","","","","","1.018","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557652","11.4149","0.0016","63.246","0.009","13.743","0.0019","90","","92.282","0.004","90","","9914","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 Lu O6 -","- C54 H72 Fe3 Li3 Lu O6 -","- C432 H576 Fe24 Li24 Lu8 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0749","0.0666","","","0.1537","0.1603","","","","","","1.125","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557653","11.4199","0.0015","63.606","0.008","13.7467","0.0019","90","","92.28","0.003","90","","9977","2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Tm -","- C54 H72 Fe3 Li3 O6 Tm -","- C432 H576 Fe24 Li24 O48 Tm8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0404","0.04","","","0.0919","0.092","","","","","","1.409","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557654","11.4007","0.0011","63.598","0.006","13.7293","0.0014","90","","92.262","0.004","90","","9946.8","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Er Fe3 Li3 O6 -","- C54 H72 Er Fe3 Li3 O6 -","- C432 H576 Er8 Fe24 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0567","0.0493","","","0.0938","0.0967","","","","","","1.265","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557655","20.62","0.003","32.856","0.004","25.081","0.004","90","","104.923","0.01","90","","16419","4","120","","120","","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C58 H80 Fe3 Li3 Lu O7 -","- C58 H80 Fe3 Li3 Lu O7 -","- C696 H960 Fe36 Li36 Lu12 O84 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1014","0.0876","","","0.2237","0.2475","","","","","","1.024","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557656","28.077","0.003","32.756","0.004","20.619","0.002","90","","120.475","0.002","90","","16343","3","110","","110","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H80 Fe3 Li3 O7 Yb -","- C58 H80 Fe3 Li3 O7 Yb -","- C696 H960 Fe36 Li36 O84 Yb12 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0485","0.0414","","","0.0963","0.1054","","","","","","1.109","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557674","6.2162","0.0005","12.5583","0.0008","20.7881","0.0012","92.381","0.005","98.293","0.006","100.115","0.006","1577.16","0.19","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O -","- C12 H18 O -","- C72 H108 O6 -","6","3","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","1.54184","CuKα","","0.1114","0.0591","","","0.131","0.1549","","","","","","1.012","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557675","19.54","0.003","8.3364","0.0013","11.3992","0.0016","90","","95.016","0.009","90","","1849.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN5 - 347 - 18MCD005","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.1296","0.0547","","","0.119","0.1486","","","","","","0.938","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557676","23.4244","0.001","6.2336","0.0003","13.0105","0.0006","90","","90.557","0.002","90","","1899.68","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN1-601","","","- C19 H34 O Si -","- C19 H34 O Si -","- C76 H136 O4 Si4 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0818","0.049","","","0.1088","0.1226","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557677","22.3413","0.0004","22.3413","0.0004","8.6532","0.0002","90","","90","","90","","4319.1","0.15","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","LM1RN5-137","","","- C12 H18 O -","- C12 H18 O -","- C192 H288 O16 -","16","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0562","0.0434","","","0.1175","0.1299","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557678","11.4263","0.0002","19.625","0.0003","15.7208","0.0004","90","","90","","90","","3525.25","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RN5-163","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C160 H184 Br8 O16 -","8","2","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.071","0.0386","","","0.0685","0.0757","","","","","","0.973","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557679","27.395","0.0016","44.055","0.004","14.5103","0.0008","90","","100.575","0.005","90","","17215","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H114 Fe N4 Na4 Zn4 -","- C62 H114 Fe N4 Na4 Zn4 -","- C620 H1140 Fe10 N40 Na40 Zn40 -","10","1.25","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","1.54184","CuKα","","0.1356","0.1091","","","0.2413","0.2567","","","","","","1.106","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557680","8.8556","0.0002","17.4144","0.0004","23.9796","0.0005","90","","90","","90","","3698.01","0.14","123.05","0.1","123.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 N7 Na Zn -","- C39 H42 N7 Na Zn -","- C156 H168 N28 Na4 Zn4 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","x-ray","1.54184","CuKα","","0.0603","0.04","","","0.0824","0.0871","","","","","","0.883","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557681","14.895","0.002","26.966","0.004","18.622","0.003","90","","111.871","0.002","90","","6941.3","1.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H110 Fe N4 Na4 Zn4 -","- C68 H110 Fe N4 Na4 Zn4 -","- C272 H440 Fe4 N16 Na16 Zn16 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.6814","synchrotron","","0.1098","0.0778","","","0.1708","0.1859","","","","","","1.043","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557682","12.9797","0.0005","15.0261","0.0006","15.9756","0.0008","99.482","0.004","90.798","0.004","99.459","0.003","3028.7","0.2","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H102 Fe N6 Na2 Zn2 -","- C55 H102 Fe N6 Na2 Zn2 -","- C110 H204 Fe2 N12 Na4 Zn4 -","2","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.71073","MoKα","","0.0806","0.0466","","","0.0997","0.1154","","","","","","1.013","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557687","11.3959","0.0004","8.8582","0.0003","26.7626","0.001","90","","91.58","0.001","90","","2700.58","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0538","0.0416","","","0.1005","0.11","","","","","","1.051","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557688","14.9305","0.0009","11.67","0.0007","16.4062","0.0009","90","","109.508","0.002","90","","2694.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0642","0.0577","","","0.1268","0.1305","","","","","","1.083","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557695","11.129","0.002","9.485","0.0018","18.178","0.004","90","","90.821","0.003","90","","1918.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","0.71073","MoKα","","0.1098","0.0534","","","0.1461","0.1717","","","","","","0.986","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557696","10.9067","0.0003","9.988","0.0003","18.4338","0.0005","90","","94.55","0.001","90","","2001.78","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","1.54178","CuKα","","0.0443","0.0427","","","0.1586","0.1627","","","","","","1.397","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557708","10.8161","0.0006","8.4185","0.0005","16.7407","0.0011","90","","97.266","0.002","90","","1512.09","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Zheng, Shuai; Zhang, Shuo-Qing; Saeednia, Borna; Zhou, Jiawang; Anna, Jessica M.; Hong, Xin; Molander, Gary A.","Diastereoselective olefin amidoacylation via photoredox PCET/nickel-dual catalysis: reaction scope and mechanistic insights","Chemical Science","2020","11","16","4131","4137","10.1039/D0SC01459A","","","0.71073","MoKα","","0.045","0.0379","","","0.0895","0.0944","","","","","","1.123","","","","has coordinates","257332","2020-10-21","18:00:00",""
"1557732","10.3043","0.0004","10.5271","0.0005","21.1147","0.0009","88.634","0.001","86.866","0.002","70.331","0.001","2153.5","0.16","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H39 N5 O2 S -","- C53 H39 N5 O2 S -","- C106 H78 N10 O4 S2 -","2","1","","Lv, Chunyan; Liu, Wangwang; Luo, Qing; Yi, Haiyan; Yu, Huakang; Yang, Zhongmin; Zou, Bo; Zhang, Yujian","A highly emissive AIE-active luminophore exhibiting deep-red to near-infrared piezochromism and high-quality lasing","Chemical Science","2020","11","15","4007","4015","10.1039/D0SC01095B","","","0.71073","MoKα","","0.1163","0.0558","","","0.112","0.1385","","","","","","1.026","","","","has coordinates","257378","2020-10-21","18:00:00",""
"1557737","32.6262","0.0018","32.6262","0.0018","73.225","0.005","90","","90","","120","","67503","7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H810 Mo132 N46 O708 S2 -","- C78.6 H49.5 Mo132 O584.94 -","- C235.8 H148.5 Mo396 O1754.82 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.71073","MoKα","","0.0775","0.0591","","","0.1527","0.1884","","","","","","1.152","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557738","32.3898","0.0003","32.3898","0.0003","72.8225","0.0007","90","","90","","120","","66162.6","1.1","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H806 Mo132 N48 O676 S3 -","- C120 H150 Mo132 O572.1 -","- C360 H450 Mo396 O1716.3 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0698","0.064","","","0.2086","0.2176","","","","","","1.082","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557739","32.4465","0.0002","32.4465","0.0002","72.887","0.0005","90","","90","","120","","66453.3","0.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H926 Mo132 N48 O736 S3 -","- C115.8 H100.2 Mo132 O580.2 -","- C347.4 H300.6 Mo396 O1740.6 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0661","0.0598","","","0.1943","0.2012","","","","","","1.066","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557747","10.6954","0.0005","29.2218","0.0014","28.2691","0.0015","90","","95.3952","0.0016","90","","8796.1","0.8","150","2","149.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H96 Ca2 Cl N6 O36 V12 -","- C44 H96 Ca2 Cl N6 O36 V12 -","- C176 H384 Ca8 Cl4 N24 O144 V48 -","4","1","","Greiner, Simon; Schwarz, Benjamin; Ringenberg, Mark; Dürr, Maximilian; Ivanovic-Burmazovic, Ivana; Fichtner, Maximilian; Anjass, Montaha; Streb, Carsten","Redox-inactive ions control the redox-activity of molecular vanadium oxides","Chemical Science","2020","11","17","4450","4455","10.1039/D0SC01401J","","","0.71073","MoKα","","0.096","0.0815","","","0.1795","0.1883","","","","","","1.165","","","","has coordinates,has disorder","257321","2020-10-21","18:00:00",""
"1557749","7.3222","0.0002","16.3645","0.0005","22.9119","0.0006","90","","90","","90","","2745.4","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","((S)-3-(2,6-diethylbenzyl)-1-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydroisoquinoline) palladium(II) chloride","","- C27 H27 Cl4 F3 N2 Pd -","- C27 H27 Cl4 F3 N2 Pd -","- C108 H108 Cl16 F12 N8 Pd4 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0676","0.0441","","","0.0932","0.1018","","","","","","0.996","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557750","23.2747","0.0004","6.7781","0.0001","10.2443","0.0002","90","","91.9349","0.0017","90","","1615.2","0.05","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(S)-2-(4-(tert-butyl)phenyl)-2-methylchroman-4-one","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0315","0.0306","","","0.0793","0.0802","","","","","","1.043","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557760","7.5797","0.0007","9.1057","0.0009","27.371","0.003","90","","95.218","0.001","90","","1881.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 S3 Sb -","- C6 H11 S3 Sb -","- C48 H88 S24 Sb8 -","8","2","","Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F.","Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents","Chemical Science","2020","11","17","4374","4380","10.1039/D0SC00206B","","","0.71073","MoKα","","0.0212","0.0178","","","0.0412","0.0429","","","","","","1.069","","","","has coordinates","257318","2020-10-21","18:00:00",""
"1557761","13.2446","0.0005","13.7731","0.0005","20.2266","0.0008","94.923","0.003","102.959","0.003","114.918","0.004","3192.4","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H53 B Cl2 F20 N2 -","- C71 H53 B Cl2 F20 N2 -","- C142 H106 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0542","0.0433","","","0.1097","0.1185","","","","","","1.025","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557762","8.40488","0.00013","18.0272","0.0003","11.0843","0.00015","90","","91.4773","0.0013","90","","1678.9","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H21 B F20 N2 -","- C35 H21 B F20 N2 -","- C70 H42 B2 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.0772","0.0774","","","","","","1.065","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557763","12.4784","0.0002","12.6328","0.0003","17.6483","0.0005","69.366","0.002","84.7909","0.0018","78.9069","0.0016","2554.12","0.11","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 B Cl2 F20 N2 -","- C52 H39 B Cl2 F20 N2 -","- C104 H78 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.054","0.052","","","0.1491","0.151","","","","","","1.022","","","","has coordinates,has disorder","257282","2020-10-21","18:00:00",""
"1557764","18.0482","0.0003","18.05071","0.00019","34.8012","0.0005","90","","90","","90","","11337.6","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H39 B F20 N2 -","- C64 H39 B F20 N2 -","- C512 H312 B8 F160 N16 -","8","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0453","0.0402","","","0.1068","0.1109","","","","","","1.046","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557765","26.3104","0.0004","8.4587","0.0001","15.7403","0.0003","90","","93.63","0.001","90","","3496","0.09","109","","109","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zinc(II) hexathiocyantosbismuthate(III)","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0336","0.0259","","","0.0568","0.0596","","","","","","1.067","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557766","17.7331","0.0006","13.6501","0.0004","16.4375","0.0004","90","","114.397","0.0012","90","","3623.55","0.19","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zinc hexathiocyanatobismuthate","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.078","0.0507","","","0.1078","0.1206","","","","","","1.046","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557767","8.3065","0.0002","25.8428","0.0006","12.2664","0.0003","90","","90.2358","0.0013","90","","2633.12","0.11","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0547","0.0376","","","0.085","0.0927","","","","","","1.024","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557768","12.0209","0.0002","12.1613","0.0002","23.8319","0.0004","94.2","0.001","94.003","0.001","91.452","0.001","3464.52","0.1","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0791","0.0587","","","0.1117","0.1201","","","","","","1.129","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557769","11.8567","0.0002","11.8653","0.0002","18.3824","0.0004","84.0731","0.0007","76.714","0.0007","85.1942","0.0008","2498.6","0.08","111","","111","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H74 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0737","0.0433","","","0.0664","0.0742","","","","","","1.036","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557770","8.3698","0.0003","26.0037","0.0009","12.2466","0.0004","90","","91.208","0.002","90","","2664.83","0.16","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0913","0.0553","","","0.1326","0.1544","","","","","","1.017","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557790","14.502","0.0012","12.866","0.0009","20.32","0.0019","90","","106.828","0.005","90","","3629","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B F4 N2 O2 -","- C43 H39 B F4 N2 O2 -","- C172 H156 B4 F16 N8 O8 -","4","1","","Zhou, Chengcheng; Jiang, Meijuan; Du, Jian; Bai, Haotian; Shan, Guogang; Kwok, Ryan T. K.; Chau, Joe H. C.; Zhang, Jun; Lam, Jacky W. Y.; Huang, Peng; Tang, Ben Zhong","One stone, three birds: one AIEgen with three colors for fast differentiation of three pathogens","Chemical Science","2020","11","18","4730","4740","10.1039/D0SC00256A","","","0.71069","MoKα","","0.205","0.0914","","","0.2067","0.242","","","","","","1.156","","","","has coordinates,has disorder","257391","2020-10-21","18:00:00",""
"1557811","8.4764","0.0013","33.008","0.005","40.934","0.006","90","","90","","90","","11453","3","273","2","298.15","","","","","","","","","4","F 2 d d","F -2d 2","43","","","","- C35 H33 N O4 -","- C35 H33 N O4 -","- C560 H528 N16 O64 -","16","1","","Mateos, Javier; Vega-Peñaloza, Alberto; Franceschi, Pietro; Rigodanza, Francesco; Andreetta, Philip; Companyó, Xavier; Pelosi, Giorgio; Bonchio, Marcella; Dell’Amico, Luca","A visible-light Paternò–Büchi dearomatisation process towards the construction of oxeto-indolinic polycycles","Chemical Science","2020","11","25","6532","6538","10.1039/D0SC01569E","","","0.71073","MoKα","","0.0791","0.0427","","","0.0911","0.1049","","","","","","1.013","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1557826","14.3857","0.0007","14.7255","0.0006","19.1301","0.0009","84.837","0.002","88.064","0.002","61.889","0.002","3559.7","0.3","120","2","119.98","","","","","","","","","6","P -1","-P 1","2","","Dy2O@Cs(10528)-C72","","- C120 H56 Dy2 N4 Ni O -","- C120 H56 Dy2 N4 Ni O -","- C240 H112 Dy4 N8 Ni2 O2 -","2","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1011","0.0953","","","0.2726","0.28","","","","","","1.049","","","","has coordinates,has disorder","257392","2020-10-21","18:00:00",""
"1557827","17.914","0.002","16.589","0.002","25.753","0.003","90","","106.775","0.004","90","","7327.5","1.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dy2O@C2(13333)-C74","","- C117 H50 Dy2 N4 Ni O S2 -","- C117 H50 Dy2 N4 Ni O S2 -","- C468 H200 Dy8 N16 Ni4 O4 S8 -","4","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1495","0.1286","","","0.3121","0.3277","","","","","","1.129","","","","has coordinates","257392","2020-10-21","18:00:00",""
"1557828","10.5727","0.0005","12.998","0.0005","15.4783","0.0008","104.398","0.002","102.401","0.002","109.792","0.002","1831.32","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","1","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.069","0.0474","","","0.0999","0.1102","","","","","","1.065","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557829","16.711","0.0007","12.6971","0.0005","18.2586","0.0007","90","","99.327","0.004","90","","3822.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 N14 O4 -","- C86 H88 N14 O4 -","- C172 H176 N28 O8 -","2","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1226","0.0982","","","0.2234","0.2381","","","","","","1.17","","","","has coordinates,has disorder","257293","2020-10-21","18:00:00",""
"1557830","12.761","0.003","17.133","0.003","31.684","0.005","90","","93.976","0.01","90","","6911","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H92 N14 O6 -","- C78 H92 N14 O6 -","- C312 H368 N56 O24 -","4","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1191","0.0644","","","0.1483","0.1703","","","","","","1.045","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557831","11.866","0.003","11.883","0.003","6.3933","0.0015","90","","90","","90","","901.5","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.086","0.0448","","","0.0951","0.1108","","","","","","1.041","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557832","43.6284","0.0011","43.6284","0.0011","10.7942","0.0003","90","","90","","120","","17793.4","0.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C82 H92 N10 O8 -","- C82 H92 N10 O8 -","- C738 H828 N90 O72 -","9","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.0979","0.0706","","","0.1611","0.1751","","","","","","1.035","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557833","10.9587","0.0002","59.0761","0.001","22.009","0.0004","90","","101.952","0.002","90","","13939.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 N6 O7 -","- C53 H52 N6 O7 -","- C636 H624 N72 O84 -","12","3","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.97741","synchrotron","","0.0743","0.063","","","0.1718","0.1813","","","","","","1.047","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557834","19.2992","0.0009","19.3512","0.0013","27.206","0.0012","105.998","0.004","90.079","0.003","119.907","0.003","8348.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C208.5 H180 Fe8 N12 -","- C208.5 H179.5 Fe8 N12 -","- C417 H359 Fe16 N24 -","2","1","","Cook, Andrew W.; Bocarsly, Joshua D.; Lewis, Richard A.; Touchton, Alexander J.; Morochnik, Simona; Hayton, Trevor W.","An iron ketimide single-molecule magnet [Fe4(NCPh2)6] with suppressed through-barrier relaxation","Chemical Science","2020","11","18","4753","4757","10.1039/D0SC01578D","","","0.71073","MoKα","","0.2039","0.1596","","","0.3659","0.3992","","","","","","0.77","","","","has coordinates","257393","2020-10-21","18:00:00",""
"1557836","10.145","0.002","17.053","0.004","17.044","0.003","90","","102.029","0.008","90","","2883.9","1","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Al I2 N2 -","- C26 H43 Al I2 N2 -","- C104 H172 Al4 I8 N8 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0174","0.0151","","","0.0367","0.0385","","","","","","1.097","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557837","36.035","0.002","15.3951","0.0008","21.8876","0.0012","90","","104.19","0.003","90","","11771.9","1.1","103","","103","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H100 Al2 N4 O1.79 -","- C58 H100 Al2 N4 O1.801 -","- C464 H800 Al16 N32 O14.408 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0845","0.0582","","","0.144","0.1602","","","","","","1.04","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557838","13.5339","0.0006","13.5131","0.0006","18.1559","0.0006","90","","100.481","0.002","90","","3265","0.2","100","","100","","","","","","","","see text","4","P 1 2/c 1","-P 2yc","13","","","","- C72 H102 Al2 N4 -","- C72 H102 Al2 N4 -","- C144 H204 Al4 N8 -","2","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.046","0.0406","","","0.0962","0.0997","","","","","","1.043","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557839","21.6994","0.0018","15.8898","0.0018","20.777","0.002","90","","90.177","0.008","90","","7163.9","1.2","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 Al2 N6 -","- C70 H104 Al2 N6 -","- C280 H416 Al8 N24 -","4","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0884","0.0747","","","0.1843","0.1924","","","","","","1.129","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557840","12.4062","0.001","18.1378","0.0016","24.62","0.002","90","","101.846","0.003","90","","5422","0.8","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 Al2 N4 -","- C54 H90 Al2 N4 -","- C216 H360 Al8 N16 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0949","0.0645","","","0.1672","0.1923","","","","","","1.019","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557841","35.126","0.003","15.4352","0.0011","21.8147","0.0017","90","","109.512","0.004","90","","11148.2","1.5","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H93 Al2 N4 -","- C55 H93 Al2 N4 -","- C440 H744 Al16 N32 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0536","0.0471","","","0.1268","0.1328","","","","","","1.028","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557864","18.3672","0.0015","14.0583","0.0012","17.9736","0.0014","90","","118.814","0.001","90","","4066.4","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O S -","- C44 H59 In N2 O S -","- C176 H236 In4 N8 O4 S4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0773","0.055","","","0.134","0.1437","","","","","","1.067","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557865","17.5732","0.0015","13.8493","0.0011","18.4226","0.0015","90","","117.891","0.002","90","","3962.8","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O2 -","- C44 H59 In N2 O2 -","- C176 H236 In4 N8 O8 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0523","0.0369","","","0.0801","0.0887","","","","","","1.054","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557866","18.402","0.0006","13.9008","0.0005","18.4542","0.0007","90","","119.051","0.002","90","","4126.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H61 In N2 O -","- C46 H61 In N2 O -","- C184 H244 In4 N8 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0354","0.0273","","","0.0603","0.0637","","","","","","1.032","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557867","18.3804","0.0016","13.9887","0.0012","18.328","0.002","90","","119.839","0.002","90","","4087.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 In N3 O -","- C45 H60 In N3 O -","- C180 H240 In4 N12 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0462","0.037","","","0.0755","0.0792","","","","","","1.077","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557868","12.616","0.003","13.343","0.003","26.255","0.005","80.163","0.003","76.369","0.003","85.869","0.003","4229.7","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H92 B F24 In N2 O6 -","- C88 H92 B F24 In N2 O6 -","- C176 H184 B2 F48 In2 N4 O12 -","2","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0983","0.0794","","","0.2047","0.214","","","","","","1.036","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557869","21.874","0.005","15.366","0.003","8.915","0.003","90","","90","","90","","2996.5","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C112 H136 Br8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0325","0.0272","","","0.0697","0.0727","","","","","","1.065","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557870","11.6398","0.0008","18.4868","0.0013","16.2027","0.0011","90","","109.07","0.003","90","","3295.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl8 N O4 Sb -","- C26 H25 Cl8 N O4 Sb -","- C104 H100 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0338","0.0312","","","0.0781","0.08","","","","","","1.061","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557871","18.383","0.0016","13.3271","0.0012","20.1022","0.0018","90","","90","","90","","4924.9","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 Cl2 N O4 -","- C26 H25 Cl2 N O4 -","- C208 H200 Cl16 N8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0437","0.0384","","","0.1025","0.1076","","","","","","1.033","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557872","10.089","0.0004","11.8293","0.0005","13.7884","0.0006","97.567","0.001","107.754","0.001","95.274","0.001","1538.29","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 F6 N O4 -","- C32 H33 F6 N O4 -","- C64 H66 F12 N2 O8 -","2","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.046","0.0406","","","0.1065","0.1114","","","","","","1.039","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557873","10.3036","0.0006","18.9257","0.0011","13.0352","0.0007","90","","94.843","0.002","90","","2532.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O6 -","- C28 H31 N O6 -","- C112 H124 N4 O24 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71075","MoKα","","0.0769","0.051","","","0.1285","0.1593","","","","","","0.597","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557874","11.7241","0.0003","12.3047","0.0003","18.3432","0.0005","90","","100.077","0.001","90","","2605.4","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F6 N O4 -","- C28 H25 F6 N O4 -","- C112 H100 F24 N4 O16 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0429","0.0385","","","0.099","0.1032","","","","","","1.031","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557875","11.84","0.002","14.543","0.003","18.231","0.003","97.047","0.003","105.059","0.003","102.364","0.003","2907.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl2 N O4 -","- C30 H32.329 Cl2 N O4 -","- C120 H129.316 Cl8 N4 O16 -","4","2","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1323","0.061","","","0.1674","0.2302","","","","","","0.782","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557876","12.156","0.003","15.548","0.003","19.482","0.004","90","","90.77","0.004","90","","3681.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl8 N O4 Sb -","- C30 H33 Cl8 N O4 Sb -","- C120 H132 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1333","0.0573","","","0.0894","0.1058","","","","","","0.9","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557898","13.0883","0.0002","14.8329","0.0003","19.5325","0.0003","90","","90","","90","","3791.99","0.11","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution","Chemical Science","2020","11","19","5037","5042","10.1039/D0SC01572E","","x-ray","0.71073","MoKα","","0.0792","0.0623","","","0.1908","0.2051","","","","","","1.129","","","","has coordinates,has disorder","257329","2020-10-21","18:00:00",""
"1557899","10.5566","0.0006","14.6779","0.0013","14.7391","0.0008","109.074","0.004","108.271","0.003","97.907","0.004","1974.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","1","0.5","","Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don","Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates","Chemical Science","2020","11","19","5043","5051","10.1039/D0SC00997K","","","0.71073","MoKα","","0.111","0.0638","","","0.1723","0.2002","","","","","","1.056","","","","has coordinates","257330","2020-10-21","18:00:00",""
"1557900","14.0809","0.0007","10.9917","0.0004","17.1659","0.0008","90","","108.846","0.005","90","","2514.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F3 N3 O -","- C30 H26 F3 N3 O -","- C120 H104 F12 N12 O4 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0774","0.0615","","","0.1401","0.1466","","","","","","1.106","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557901","37.632","0.001","14.8891","0.0004","13.0219","0.0004","90","","90","","90","","7296.3","0.4","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 F9 N O -","- C42 H34 F9 N O -","- C336 H272 F72 N8 O8 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.1062","0.0697","","","0.1559","0.1699","","","","","","1.071","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557902","13.5226","0.0005","14.169","0.0005","17.1029","0.0005","103.45","0.003","107.34","0.003","103.234","0.003","2881","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N2 O2 -","- C34 H42 N2 O2 -","- C136 H168 N8 O8 -","4","2","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C–H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.1427","0.0768","","","0.1775","0.2124","","","","","","1.061","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557903","9.7571","0.0001","10.1037","0.0001","19.23","0.0003","86.6","0.001","88.612","0.001","81.412","0.001","1870.97","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 F9 N2 O -","- C43 H35 F9 N2 O -","- C86 H70 F18 N4 O2 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.061","0.0465","","","0.1209","0.1286","","","","","","1.059","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557904","12.9747","0.0002","12.3749","0.0002","17.7595","0.0003","90","","101.948","0.0017","90","","2789.71","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C124 H168 N8 O16 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0374","0.0343","","","0.0866","0.0887","","","","","","1.035","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557905","10.4974","0.0004","24.3","0.0006","11.3737","0.0004","90","","109.196","0.004","90","","2739.97","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C128 H160 N8 O8 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0432","0.0347","","","0.0817","0.0866","","","","","","1.026","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557906","8.974","0.0002","11.737","0.0003","14.0121","0.0003","113.955","0.002","97.7538","0.0017","91.349","0.002","1331.4","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H39 N3 O2 -","- C31 H39 N3 O2 -","- C62 H78 N6 O4 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0402","0.0365","","","0.0927","0.0949","","","","","","1.028","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557907","16.4161","0.0009","12.4001","0.0008","25.3104","0.0017","90","","90","","90","","5152.2","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 N3 O2 -","- C29 H37 N3 O2 -","- C232 H296 N24 O16 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.094","0.0484","","","0.0932","0.1093","","","","","","1.017","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557908","19.0673","0.0003","26.1197","0.0006","15.5005","0.0003","90","","90","","90","","7719.7","0.3","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","CdTzTz","","- C38 H32 Cd N6 O6 S3 -","- C38 H32 Cd N6 O6 S3 -","- C304 H256 Cd8 N48 O48 S24 -","8","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","MoKα","","0.0852","0.0804","","","0.2123","0.2173","","","","","","1.079","","","","has coordinates,has disorder","257345","2020-10-21","18:00:00",""
"1557909","5.665","0.0011","7.55","0.0015","22.845","0.005","80.52","0.03","86.53","0.03","88.94","0.03","962","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","BPPTzTz","","- C26 H16 N4 S2 -","- C26 H16 N4 S2 -","- C52 H32 N8 S4 -","2","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","Synchrotron","","0.0707","0.06","","","0.1545","0.164","","","","","","1.013","","","","has coordinates","257345","2020-10-21","18:00:00",""
"1557923","9.9378","0.0009","9.9882","0.0008","17.7699","0.0015","93.791","0.003","94.905","0.003","98.931","0.003","1730.4","0.3","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0571","0.0457","","","0.117","0.1244","","","","","","1.051","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557924","10.4193","0.0006","21.2154","0.0012","17.2115","0.0008","90","","99.801","0.002","90","","3749.1","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 Cl3 Si2 -","- C43 H31 Cl3 Si2 -","- C172 H124 Cl12 Si8 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0765","0.0491","","","0.1189","0.1333","","","","","","1.03","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557925","8.5423","0.0011","10.4335","0.0014","16.821","0.002","76.313","0.005","77.803","0.005","83.761","0.005","1421","0.3","150","","150","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C34 H36 Si -","- C34 H36 Si -","- C68 H72 Si2 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0648","0.0477","","","0.1191","0.1301","","","","","","1.029","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557926","8.5611","0.0008","10.3957","0.001","14.5334","0.0013","94.453","0.003","104.612","0.003","98.456","0.003","1229.1","0.2","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0628","0.0479","","","0.1201","0.1302","","","","","","1.034","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557927","7.5855","0.0009","8.3989","0.0011","17.377","0.002","90.902","0.005","91.564","0.005","91.339","0.004","1106.2","0.2","150","2","150","2","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C14 H14 -","- C14 H14 -","- C56 H56 -","4","2","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0605","0.0506","","","0.1353","0.142","","","","","","1.049","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557928","9.3055","0.0016","10.3538","0.0015","18.151","0.003","90","","90","","90","","1748.8","0.5","150","","150","","","","","","","","synthesis as described","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0433","0.0359","","","0.087","0.0924","","","","","","1.029","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557943","12.8993","0.0005","15.9751","0.0007","17.3394","0.0007","90","","97.371","0.003","90","","3543.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F24 O10 Th -","- C24 H14 F24 O10 Th -","- C96 H56 F96 O40 Th4 -","4","0.5","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0394","0.0296","","","0.0536","0.0569","","","","","","1.073","","","","has coordinates,has disorder","257390","2020-10-21","18:00:00",""
"1557944","17.4457","0.0004","17.4457","0.0004","29.8629","0.0009","90","","90","","90","","9088.8","0.4","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H4 F24 O8 U -","- C20 H4 F24 O8 U -","- C240 H48 F288 O96 U12 -","12","0.75","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0911","0.0543","","","0.1361","0.1667","","","","","","1.016","","","","has coordinates","257390","2020-10-21","18:00:00",""
"1557955","23.4927","0.0005","23.4927","0.0005","32.5166","0.0007","90","","90","","120","","15541.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C87 H77.33 F6 N12 O23.67 Ru3 -","- C87 H77.3322 F6 N12 O23.6661 Ru3 -","- C522 H463.993 F36 N72 O141.997 Ru18 -","6","0.333333","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0395","0.0385","","","0.1171","0.1181","","","","","","1.157","","","","has coordinates,has disorder","257278","2020-10-21","18:00:00",""
"1557956","15.9552","0.0003","18.9386","0.0004","21.0317","0.0004","65.145","0.001","87.292","0.001","76.631","0.001","5601.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H48 F6 N12 O12 Ru3 -","- C84 H48 F6 N12 O12 Ru3 -","- C168 H96 F12 N24 O24 Ru6 -","2","1","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0526","0.0407","","","0.0938","0.0997","","","","","","1.026","","","","has coordinates","257278","2020-10-21","18:00:00",""
"1557967","9.0773","0.0003","20.9604","0.0006","9.2929","0.0004","90","","112.088","0.004","90","","1638.34","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Li2 N2 O4 -","- C32 H52 Li2 N2 O4 -","- C64 H104 Li4 N4 O8 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.117","0.1047","","","0.3328","0.3569","","","","","","1.539","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557968","9.7406","0.0004","10.9189","0.0004","14.1465","0.0007","90","","107.012","0.005","90","","1438.74","0.11","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Li2 N6 O2 -","- C30 H36 Li2 N6 O2 -","- C60 H72 Li4 N12 O4 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.072","0.0591","","","0.1634","0.183","","","","","","1.058","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557969","10.2268","0.0004","19.0435","0.0007","10.7658","0.0005","90","","102.453","0.004","90","","2047.36","0.15","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 Li2 N2 O4 -","- C44 H59.145 Li2 N2 O4 -","- C88 H118.29 Li4 N4 O8 -","2","1","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.108","0.0987","","","0.2735","0.2948","","","","","","1.225","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557970","9.5878","0.0002","9.9347","0.0002","9.9435","0.0002","105.659","0.002","94.885","0.001","95.34","0.002","902","0.03","173.01","0.1","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","1","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.0462","0.0393","","","0.1038","0.112","","","","","","1.065","","","","has coordinates","256042","2020-10-21","18:00:00",""
"1557971","6.8004","0.0009","11.9948","0.0015","21.5","0.003","90","","95.373","0.004","90","","1746","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F6 N2 P -","- C17 H17 F6 N2 P -","- C68 H68 F24 N8 P4 -","4","1","","Zhang, Ruoyao; Niu, Guangle; Lu, Qing; Huang, Xiaolin; Chau, Joe H. C.; Kwok, Ryan T. K.; Yu, Xiaoqiang; Li, Min-Hui; Lam, Jacky W. Y.; Tang, Ben Zhong","Cancer cell discrimination and dynamic viability monitoring through wash-free bioimaging using AIEgens","Chemical Science","2020","11","29","7676","7684","10.1039/D0SC01213K","","","1.54178","CuKα","","0.0876","0.0851","","","0.2292","0.2315","","","","","","1.048","","","","has coordinates","257280","2020-10-21","18:00:00",""
"1557972","9.8666","0.0013","9.9949","0.0009","11.3565","0.0017","90","","114.722","0.018","90","","1017.3","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C52 H38 N2 O2 S2 -","2","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1435","0.0593","","","0.106","0.147","","","","","","1.026","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557973","10.0379","0.0013","9.5393","0.0009","16.2242","0.0019","90","","104.646","0.012","90","","1503.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 S -","- C18 H20 S -","- C72 H80 S4 -","4","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1534","0.1084","","","0.2911","0.3453","","","","","","1.094","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557987","24.4749","0.0004","22.6183","0.0004","12.7406","0.0002","90","","90","","90","","7052.9","0.2","95","2","95","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H48 I N4 O P Pt -","- C33 H48 I N4 O P Pt -","- C264 H384 I8 N32 O8 P8 Pt8 -","8","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0533","0.037","","","0.077","0.0832","","","","","","1.09","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557988","12.7739","0.0002","8.98822","0.00013","27.115","0.0004","90","","100.703","0.0016","90","","3059.04","0.08","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C104 H156 Cl8 Cu8 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0336","0.0249","","","0.0535","0.0558","","","","","","1.042","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557989","20.4659","0.0002","20.4659","0.0002","27.7779","0.0004","90","","90","","90","","11634.9","0.2","94","2","94","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C50 H70 N8 O2 P2 Pt2 -","- C50 H70 N8 O2 P2 Pt2 -","- C400 H560 N64 O16 P16 Pt16 -","8","0.5","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0482","0.0347","","","0.0824","0.0891","","","","","","1.027","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557990","11.34455","0.00016","12.7555","0.0003","15.58801","0.00018","97.0654","0.0013","96.2303","0.001","94.2103","0.0015","2216.7","0.07","95","2","95","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H59 B Cu F4 N4 O4 P Pt -","- C42 H59 B Cu F4 N4 O4 P Pt -","- C84 H118 B2 Cu2 F8 N8 O8 P2 Pt2 -","2","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0573","0.0558","","","0.1416","0.1442","","","","","","1.044","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557991","9.1729","0.0004","30.0139","0.001","12.3335","0.0003","90","","90.445","0.003","90","","3395.5","0.2","96","2","96","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 B Cu F4 N4 O2 P Pt -","- C30 H47 B Cu F4 N4 O2 P Pt -","- C120 H188 B4 Cu4 F16 N16 O8 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0943","0.0832","","","0.2262","0.2402","","","","","","1.048","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557992","9.1454","0.00011","34.4731","0.0005","28.8368","0.0004","90","","90.3193","0.0011","90","","9091.2","0.2","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.33 H43.67 Cu N4 O1.33 P Pt -","- C28.3333 H43.6667 Cu N4 O1.33333 P Pt -","- C340 H524 Cu12 N48 O16 P12 Pt12 -","12","3","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0564","0.0449","","","0.0862","0.0892","","","","","","1.094","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557993","14.66021","0.00018","16.24537","0.00017","26.9484","0.0004","90","","103.68","0.0013","90","","6235.97","0.14","93","2","93","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H51 B Cu F24 N4 O P Pt -","- C58 H51 B Cu F24 N4 O P Pt -","- C232 H204 B4 Cu4 F96 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0418","0.0321","","","0.0819","0.0874","","","","","","1.029","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557994","20.7797","0.0002","19.37993","0.00018","17.2379","0.0002","90","","105.44","0.0013","90","","6691.33","0.13","90","2","90","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H51 B Cu F30 N4 O P Pt -","- C65 H51 B Cu F30 N4 O P Pt -","- C260 H204 B4 Cu4 F120 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.053","0.0379","","","0.0954","0.1074","","","","","","1.041","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557997","7.2298","0.0002","10.3241","0.0003","19.9155","0.0005","90","","91.2503","0.0014","90","","1486.16","0.07","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.0776","0.0523","","","0.117","0.1328","","","","","","1.031","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557998","11.9769","0.0003","5.9444","0.0002","26.845","0.0008","90","","92.8945","0.0013","90","","1908.8","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.1447","0.0695","","","0.1231","0.155","","","","","","1.025","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557999","19.002","0.0001","8.3505","0.0001","18.6504","0.0001","90","","106.546","0.001","90","","2836.83","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Br N O2 Si -","- C31 H37 Br N O2 Si -","- C124 H148 Br4 N4 O8 Si4 -","4","1","","Eichenberger, Sarah; Hönig, Moritz; Richter, Matthieu J. R.; Gershoni-Poranne, Renana; Carreira, Erick M.","Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes","Chemical Science","2020","11","20","5294","5298","10.1039/D0SC02224A","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0922","0.0933","","","","","","1.044","","","","has coordinates","257341","2020-10-21","18:00:00",""
"1558010","13.3029","0.0016","9.8247","0.001","16.8935","0.0019","90","","110.005","0.004","90","","2074.7","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 -","- C31 H20 -","- C124 H80 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.0811","0.0479","","","0.1021","0.1149","","","","","","1.029","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558011","16.6398","0.0011","9.562","0.0006","16.8786","0.0011","90","","106.273","0.004","90","","2578","0.3","296","2","296","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.1906","0.0612","","","0.1113","0.1533","","","","","","0.967","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558012","11.2023","0.0016","18.671","0.002","14.855","0.002","90","","108.22","0.005","90","","2951.3","0.7","299","","299","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 -","- C43 H28 -","- C172 H112 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","","0.71073","MoKα","","0.0794","0.0504","","","0.1195","0.1352","","","","","","1.015","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558013","9.7756","0.0001","9.7756","0.0001","8.7186","0.0002","90","","90","","120","","721.55","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 H51 I2 N19 -","- Be4 H23.9997 I2 N19 -","- Be4 H23.9997 I2 N19 -","1","0.333333","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.045","0.0447","","","0.1274","0.1277","","","","","","1.164","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558014","13.4543","0.0003","10.5289","0.0003","16.9967","0.0004","90","","111.134","0.002","90","","2245.79","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 N22 -","- Be4 H42 N22 -","- Be16 H168 N88 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.048","0.0367","","","0.1005","0.1079","","","","","","1.047","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558015","14.2177","0.0013","14.2177","0.0013","8.56","0.0012","90","","90","","120","","1498.5","0.3","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Br2 H36 N14 -","- Be4 Br2 H23.9997 N14 -","- Be12 Br6 H71.9991 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0705","0.0697","","","0.1757","0.1768","","","","","","1.019","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558016","13.9342","0.0001","13.9342","0.0001","8.3727","0.0001","90","","90","","120","","1407.86","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Cl2 H36 N14 -","- Be4 Cl2 H36 N14 -","- Be12 Cl6 H108 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0189","0.0175","","","0.0392","0.0395","","","","","","1.028","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558017","14.0852","0.0002","10.1719","0.0001","18.4646","0.0002","90","","112.217","0.001","90","","2449.08","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 I2 N16 -","- Be4 H42 I2 N16 -","- Be16 H168 I8 N64 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0344","0.0343","","","0.0885","0.0886","","","","","","1.072","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558018","9.9563","0.0002","8.5843","0.0001","24.7099","0.0004","90","","97.454","0.001","90","","2094.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H33 Be4 N15 S2 -","- C2 H33 Be4 N15 S2 -","- C8 H132 Be16 N60 S8 -","4","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0355","0.0239","","","0.0567","0.0597","","","","","","0.905","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558019","9.9478","0.0003","9.9478","0.0003","5.4077","0.0003","90","","90","","90","","535.14","0.04","100","2","100","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C8 H16 Be N6 -","- C8 H16 Be N6 -","- C16 H32 Be2 N12 -","2","0.25","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0443","0.0369","","","0.0954","0.0996","","","","","","1.083","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558020","14.1334","0.0003","14.1334","0.0003","8.5563","0.0003","90","","90","","120","","1480.16","0.07","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- C2 H36 Be4 N16 -","- C2 H35.9997 Be4 N16 -","- C6 H107.999 Be12 N48 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0407","0.034","","","0.084","0.0862","","","","","","0.995","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558021","20.1994","0.0002","21.2118","0.0002","23.3361","0.0003","90","","90","","90","","9998.72","0.19","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H44 Be8 I2 N16 O -","- C20 H44 Be8 I2 N16 O -","- C160 H352 Be64 I16 N128 O8 -","8","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0305","0.027","","","0.071","0.0732","","","","","","1.036","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558023","9.8512","0.0013","5.7699","0.0008","11.7734","0.0016","90","","102.85","0.003","90","","652.45","0.15","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 O5 -","- C5 H8 O5 -","- C20 H32 O20 -","4","1","","Vil', Vera A.; Barsegyan, Yana A.; Kuhn, Leah; Ekimova, Maria V.; Semenov, Egor A.; Korlyukov, Alexander A.; Terent'ev, Alexander O.; Alabugin, Igor V.","Synthesis of unstrained Criegee intermediates: inverse α-effect and other protective stereoelectronic forces can stop Baeyer‒Villiger rearrangement of γ-hydroperoxy-γ-peroxylactones","Chemical Science","2020","11","20","5313","5322","10.1039/D0SC01025A","","","0.71073","MoKα","","0.0478","0.0366","","","0.091","0.097","","","","","","1.044","","","","has coordinates","257343","2020-10-21","18:00:00",""
"1558028","38.649","0.004","38.649","0.004","38.649","0.004","90","","90","","90","","57732","10","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224'","[H2TCPP]3[Zr6O4(OH)4(CH3CO2)6]2","","- C168 H114 N12 O64 Zr12 -","- C168 H114 N12 O64 Zr12 -","- C672 H456 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.061","0.0563","","","0.1399","0.145","","","","","","1.132","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558029","38.4891","0.0009","38.4891","0.0009","38.4891","0.0009","90","","90","","90","","57018","2","100","2","100","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","PCN-224'FeCl","[FeCl(TCPP)]3[ZrO4(OH)4(CH3CO2)6]2","","- C168 H108 Cl3 Fe3 N12 O64 Zr12 -","- C168 H112.704 Cl3 Fe3 N12 O64 Zr12 -","- C672 H450.816 Cl12 Fe12 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.0844","0.0733","","","0.2249","0.2456","","","","","","1.191","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558030","38.8372","0.0012","38.8372","0.0012","38.8372","0.0012","90","","90","","90","","58579","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","[H2TCPP]3[Zr6O4(mu-OH)4(OH)6]2","","- C144 H90 N12 O52 Zr12 -","- C144 H90 N12 O52 Zr12 -","- C576 H360 N48 O208 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","0.71073","MoKα","","0.0845","0.0696","","","0.2005","0.2246","","","","","","1.038","","","","has coordinates","256051","2020-10-21","18:00:00",""
"1558031","7.749","0.0003","7.749","0.0003","22.032","0.0011","90","","90","","90","","1322.96","0.1","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","0.5","","Heywood, Victoria L.; Alford, Thomas P. J.; Roeleveld, Julius J.; Lekanne Deprez, Siebe J.; Verhoofstad, Abraham; van der Vlugt, Jarl Ivar; Domingos, Sérgio R.; Schnell, Melanie; Davis, Anthony P.; Mooibroek, Tiddo J.","Observations of tetrel bonding between sp3-carbon and THF","Chemical Science","2020","11","20","5289","5293","10.1039/D0SC01559H","","","0.71073","MoKα","","0.0468","0.0409","","","0.1126","0.1171","","","","","","0.975","","","","has coordinates","257344","2020-10-21","18:00:00",""
"1558032","15.7335","0.0016","15.6057","0.0016","26.314","0.003","90","","100.54","0.003","90","","6351.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iron Diesterporphyrin","FeDEsP","","- C152 H112 Fe4 N16 O18 -","- C152 H109 Fe4 N16 O18 -","- C304 H218 Fe8 N32 O36 -","2","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.2678","0.0836","","","0.1587","0.2346","","","","","","0.956","","","","has coordinates,has disorder","256048","2020-10-21","18:00:00",""
"1558033","11.301","0.003","13.669","0.003","14.795","0.004","92.292","0.008","90.441","0.009","109.916","0.007","2146.5","0.9","119","2","119","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","1","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.1016","0.0548","","","0.1238","0.1474","","","","","","1.029","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558034","13.344","0.003","21.257","0.005","14.059","0.003","90","","90","","90","","3987.9","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Zinc Diesterporphyrin","ZnDEsC","","- C45 H38 N5 O5 Zn -","- C45 H28 N5 O5 Zn -","- C180 H112 N20 O20 Zn4 -","4","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.0309","0.0281","","","0.0906","0.0922","","","","","","1.158","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558046","13.4808","0.0009","14.1304","0.001","20.7309","0.0015","81.16","0.002","85.017","0.002","77.197","0.002","3799.4","0.5","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H118 N4 Si10 -","- C66 H118 N4 Si10 -","- C132 H236 N8 Si20 -","2","1","","Keuter, Jan; Schwermann, Christian; Hepp, Alexander; Bergander, Klaus; Droste, Jörn; Hansen, Michael Ryan; Doltsinis, Nikos L.; Mück-Lichtenfeld, Christian; Lips, Felicitas","A highly unsaturated six-vertex amido-substituted silicon cluster.","Chemical science","2020","11","23","5895","5901","10.1039/d0sc01427c","","","0.71073","MoKα","","0.0476","0.0354","","","0.0881","0.0935","","","","","","1.02","","","","has coordinates,has disorder","256046","2020-10-21","18:00:00",""
"1558047","11.9911","0.0001","34.2594","0.0003","15.9758","0.0002","90","","107.614","0.001","90","","6255.29","0.11","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B F4 -","- C40 H35 B F4 -","- C320 H280 B8 F32 -","8","2","","Fu, Xiangyu; Han, Han; Zhang, Di; Yu, Han; He, Qilin; Zhao, Dahui","A polycyclic aromatic hydrocarbon diradical with pH-responsive magnetic properties.","Chemical science","2020","11","21","5565","5571","10.1039/d0sc00770f","","x-ray","1.54184","CuKα","","0.1045","0.0892","","","0.2649","0.2848","","","","","","1.066","","","","has coordinates","256050","2020-10-21","18:00:00",""
"1558050","18.3346","0.0007","15.7546","0.0003","18.3241","0.0003","90","","90.531","0.001","90","","5292.8","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.0797","0.04","","","0.1173","0.1324","","","","","","0.909","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558051","18.3126","0.0004","18.3126","0.0004","15.7252","0.0005","90","","90","","90","","5273.5","0.2","296","","296","","","","","","","","","3","P 43","P 4cw","78","","N-deuterated bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71073","MoKα","","0.0824","0.0465","","","0.1319","0.1527","","","","","","1.014","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558052","18.2293","0.0003","18.2293","0.0003","15.6088","0.0007","90","","90","","90","","5186.9","0.3","160","","160","","","","","","","","","3","P 41","P 4w","76","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.1195","0.0571","","","0.1749","0.2036","","","","","","1.067","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558053","22.088","0.003","5.586","0.0007","24.017","0.003","90","","115.257","0.003","90","","2680","0.6","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis-(1H-benzimidazol-2-yl)-methane methanol solvate","","- C31 H28 N8 O -","- C31 H28 N8 O -","- C124 H112 N32 O4 -","4","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.0562","0.041","","","0.0923","0.1018","","","","","","1.025","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558054","18.3296","0.0017","15.7595","0.0015","18.3254","0.0016","90","","90.612","0.003","90","","5293.3","0.8","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.1199","0.0689","","","0.1621","0.1955","","","","","","1.061","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558058","10.236","0.0015","32.92","0.005","10.7797","0.0014","90","","105.178","0.005","90","","3505.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","MesN3","","- C38 H60 Al N3 -","- C38 H60 Al N3 -","- C152 H240 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0465","0.0405","","","0.1037","0.1083","","","","","","1.031","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558059","8.755","0.004","15.965","0.005","11.067","0.005","90","","96.64","0.02","90","","1536.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tertbutylaluminol","","- C32 H58 Al2 -","- C32 H58 Al2 -","- C64 H116 Al4 -","2","0.5","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0612","0.0462","","","0.1167","0.1288","","","","","","1.052","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558060","12.957","0.006","16.692","0.007","15.618","0.006","90","","96.13","0.02","90","","3359","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAP_koordiniert","","- C36 H59 Al N2 -","- C36 H59 Al N2 -","- C144 H236 Al4 N8 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0505","0.0364","","","0.087","0.0956","","","","","","1.012","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558061","9.335","0.004","16.672","0.009","17.185","0.007","90","","93.88","0.03","90","","2668","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp3taluminol","","- C29 H49 Al -","- C29 H49 Al -","- C116 H196 Al4 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.104","0.0636","","","0.1535","0.1767","","","","","","1.015","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558062","9.601","0.002","12.75","0.003","13.314","0.002","97.397","0.006","93.793","0.015","94.404","0.007","1606.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","TMSN3","","- C32 H58 Al N Si -","- C32 H58 Al N Si -","- C64 H116 Al2 N2 Si2 -","2","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.036","0.0337","","","0.0871","0.0889","","","","","","1.033","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558063","19.5714","0.0005","14.2192","0.0003","14.836","0.0004","90","","96.397","0.001","90","","4103","0.18","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Terhphenylazid","","- C47 H62 Al N3 -","- C47 H62 Al N3 -","- C188 H248 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.1059","0.1029","","","0.2254","0.2266","","","","","","1.281","","","","has coordinates,has disorder","256049","2020-10-21","18:00:00",""
"1558064","9.29339","0.00012","13.27724","0.00015","20.1881","0.0003","90","","91.3644","0.0012","90","","2490.31","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 I2 Ir N3 O2 -","- C22 H28 I2 Ir N3 O2 -","- C88 H112 I8 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0273","0.0208","","","0.0381","0.0398","","","","","","1.093","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558065","23.165","0.0004","7.44609","0.00009","15.706","0.0002","90","","107.268","0.0016","90","","2587.01","0.07","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C104 H102 F12 I4 Ir4 N12 O4 P2 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0314","0.0231","","","0.0416","0.0439","","","","","","1.05","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558066","9.61097","0.00008","20.10144","0.00016","14.45419","0.00015","90","","103.426","0.001","90","","2716.15","0.04","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Br F6 I Ir N3 O2 P -","- C22 H27 Br F6 I Ir N3 O2 P -","- C88 H108 Br4 F24 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0295","0.0293","","","0.077","0.0772","","","","","","1.121","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558067","9.8587","0.0001","20.2807","0.0002","15.0835","0.0002","90","","105.245","0.001","90","","2909.69","0.06","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 F9 I Ir N3 O2 P -","- C23 H27 F9 I Ir N3 O2 P -","- C92 H108 F36 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0526","0.0507","","","0.1375","0.1404","","","","","","1.052","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558068","9.1942","0.0001","8.2158","0.0001","33.7933","0.0003","90","","95.783","0.001","90","","2539.68","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 I2 Ir N3 -","- C26 H26 I2 Ir N3 -","- C104 H104 I8 Ir4 N12 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0262","0.0255","","","0.061","0.0613","","","","","","1.149","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558069","31.7681","0.0004","8.7023","0.0001","16.6407","0.0002","90","","94.935","0.001","90","","4583.36","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 I2 Ir N3 -","- C21 H24 I2 Ir N3 -","- C168 H192 I16 Ir8 N24 -","8","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0257","0.0199","","","0.0401","0.042","","","","","","1.057","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558070","8.93939","0.00015","18.6768","0.0003","13.452","0.0002","90","","94.066","0.0014","90","","2240.28","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C88 H110 Cl6 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.035","0.0245","","","0.0684","0.0991","","","","","","1.297","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558071","8.71914","0.00018","9.9018","0.0002","15.7288","0.0003","89.3248","0.0016","78.0376","0.0016","88.7062","0.0017","1328.09","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl F6 Ir N3 O P -","- C26 H26 Cl F6 Ir N3 O P -","- C52 H52 Cl2 F12 Ir2 N6 O2 P2 -","2","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.034","0.0277","","","0.0595","0.0618","","","","","","1.059","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558075","7.9439","0.0004","8.6162","0.0004","25.8718","0.0012","90","","90","","90","","1770.83","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Fe N O3 -","- C21 H21 Fe N O3 -","- C84 H84 Fe4 N4 O12 -","4","1","","Larin, Egor M.; Loup, Joachim; Polishchuk, Iuliia; Ross, Rachel J.; Whyte, Andrew; Lautens, Mark","Enantio- and diastereoselective conjugate borylation/Mannich cyclization","Chemical Science","2020","11","22","5716","5723","10.1039/D0SC02421J","","","0.71073","MoKα","","0.0249","0.0213","","","0.0519","0.0536","","","","","","1.052","","","","has coordinates","257296","2020-10-21","18:00:00",""
"1558076","10.0067","0.0005","14.2962","0.0007","16.3689","0.0008","99.987","0.004","105.704","0.004","107.788","0.004","2061","0.2","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 B4 Dy2 O2 -","- C34 H72 B4 Dy2 O2 -","- C68 H144 B8 Dy4 O4 -","2","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0444","0.0346","","","0.0806","0.0865","","","","","","1.038","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558077","13.3199","0.0001","18.1439","0.0001","19.6411","0.0002","90","","107.366","0.001","90","","4530.39","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 B2 Dy2 -","- C46 H78 B2 Dy2 -","- C184 H312 B8 Dy8 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0306","0.0266","","","0.0635","0.0655","","","","","","1.024","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558078","18.1029","0.0005","20.9327","0.0004","19.4229","0.0005","90","","111.812","0.003","90","","6833.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H74 B2 Dy2 F20 -","- C70 H74 B2 Dy2 F20 -","- C280 H296 B8 Dy8 F80 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0759","0.0692","","","0.1706","0.1762","","","","","","1.055","","","","has coordinates,has disorder","256040","2020-10-21","18:00:00",""
"1558079","13.16","0.002","13.956","0.003","23.75","0.005","74.835","0.008","81.559","0.008","65.275","0.007","3820.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H128 Ce K N16 P4 -","- C56 H128 Ce K N16 P4 -","- C112 H256 Ce2 K2 N32 P8 -","2","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0534","0.0465","","","0.1145","0.1195","","","","","","1.046","","","","has coordinates,has disorder","256038","2020-10-21","18:00:00",""
"1558080","13.3726","0.001","13.3726","0.001","21.0511","0.0017","90","","90","","90","","3764.5","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C56 H128 Ce N16 P4 -","- C56 H128 Ce N16 P4 -","- C112 H256 Ce2 N32 P8 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0266","0.0263","","","0.0689","0.0692","","","","","","1.048","","","","has coordinates","256038","2020-10-21","18:00:00",""
"1558082","14.5788","0.0007","14.6329","0.0007","16.7346","0.0008","90","","96.683","0.003","90","","3545.7","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Co N P2 S -","- C38 H50 Co N P2 S -","- C152 H200 Co4 N4 P8 S4 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0673","0.0408","","","0.086","0.0968","","","","","","1.03","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558083","15.273","0.002","10.83","0.0014","18.993","0.003","90","","98.062","0.004","90","","3110.5","0.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Co N P2 -","- C33 H47 Co N P2 -","- C132 H188 Co4 N4 P8 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0678","0.0411","","","0.0834","0.0955","","","","","","1.05","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558084","33.34","0.006","13.858","0.003","14.143","0.003","90","","99.023","0.002","90","","6454","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(PNP)Co(Ph)(OAc)","","","- C34 H48 Co N O2 P2 -","- C34 H48 Co N O2 P2 -","- C272 H384 Co8 N8 O16 P16 -","8","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0377","0.0299","","","0.076","0.0805","","","","","","1.038","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558085","18.88","0.014","7.915","0.008","30.41","0.06","90","","98.22","0.04","90","","4498","11","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cl2 Co2 N4 O12 -","- C45 H48 Cl2 Co2 N4 O12 -","- C180 H192 Cl8 Co8 N16 O48 -","4","0.5","","Chen, Xin-Ran; Zhang, Shuo-Qing; Meyer, Tjark H.; Yang, Chun-Hui; Zhang, Qin-Hao; Liu, Ji-Ren; Xu, Hua-Jian; Cao, Fa-He; Ackermann, Lutz; Hong, Xin","Carboxylate breaks the arene C‒H bond via a hydrogen-atom-transfer mechanism in electrochemical cobalt catalysis","Chemical Science","2020","11","22","5790","5796","10.1039/D0SC01898H","","","0.71073","MoKα","","0.1265","0.1113","","","0.2499","0.2562","","","","","","1.279","","","","has coordinates","257294","2020-10-21","18:00:00",""
"1558092","10.6734","0.0007","13.492","0.0009","10.8926","0.0008","90","","106.158","0.002","90","","1506.63","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 F6 N2 S2 -","- C33 H28 F6 N2 S2 -","- C66 H56 F12 N4 S4 -","2","1","","Yu, Zhang-Long; Cheng, Yong-Feng; Jiang, Na-Chuan; Wang, Jian; Fan, Li-Wen; Yuan, Yue; Li, Zhong-Liang; Gu, Qiang-Shuai; Liu, Xin-Yuan","Desymmetrization of unactivated bis-alkenes via chiral Brønsted acid-catalysed hydroamination","Chemical Science","2020","11","23","5987","5993","10.1039/D0SC00001A","","x-ray","0.71073","MoKα","","0.0307","0.0276","","","0.0664","0.0679","","","","","","1.06","","","","has coordinates","257396","2020-10-21","18:00:00",""
"1558093","27.3782","0.0016","16.4038","0.0006","8.0743","0.0004","90","","96.106","0.005","90","","3605.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N2 O4 -","- C45 H44 N2 O4 -","- C180 H176 N8 O16 -","4","1","","Samanta, Samaresh; Ray, Subir Kumar; Deolka, Shubham; Saha, Sudipta; K R, Pradeep; Bhowal, Rohit; Ghosh, Nirmalya; Chaudhuri, Debangshu","Safeguarding long-lived excitons from excimer traps in H-aggregated dye-assemblies.","Chemical science","2020","11","22","5710","5715","10.1039/d0sc01784a","","x-ray","1.54184","CuKα","","0.1536","0.0831","","","0.2492","0.3254","","","","","","1.01","","","","has coordinates","256039","2020-10-21","18:00:00",""
"1558097","7.8139","0.0002","9.9797","0.0002","21.6351","0.0007","87.227","0.002","84.36","0.002","86.871","0.002","1674.87","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 N5 S -","- C45 H31 N5 S -","- C90 H62 N10 S2 -","2","1","","Luo, Qing; Li, Lin; Ma, Huili; Lv, Chunyan; Jiang, Xueyan; Gu, Xinggui; An, Zhongfu; Zou, Bo; Zhang, Cheng; Zhang, Yujian","Deep-red fluorescence from isolated dimers: a highly bright excimer and imaging in vivo","Chemical Science","2020","11","23","6020","6025","10.1039/D0SC01873B","","x-ray","1.54184","CuKα","","0.0764","0.0713","","","0.1857","0.1886","","","","","","1.125","","","","has coordinates","257397","2020-10-21","18:00:00",""
"1558098","13.7131","0.0002","15.2042","0.0002","25.3794","0.0003","74.859","0.001","78.818","0.001","65.926","0.001","4640.57","0.11","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H144 Co2 K2 N4 O15 P8 -","- C76 H145 Co2 K2 N4 O15 P8 -","- C152 H290 Co4 K4 N8 O30 P16 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0344","0.0311","","","0.0773","0.0794","","","","","","1.022","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558099","17.8715","0.0003","22.5218","0.0004","24.946","0.0005","90","","90","","90","","10040.7","0.3","123","1","123","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H82 Co Li N2 O7 P4 -","- C43 H82 Co Li N2 O7 P4 -","- C344 H656 Co8 Li8 N16 O56 P32 -","8","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0503","0.0459","","","0.1223","0.1273","","","","","","1.066","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558100","31.947","0.003","15.571","0.0012","12.6636","0.001","90","","91.67","0.008","90","","6296.8","0.9","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H99 Co2 Li O3.25 P8 -","- C53.5 H99 Co2 Li O3.25 P8 -","- C214 H396 Co8 Li4 O13 P32 -","4","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.1377","0.0745","","","0.1727","0.1886","","","","","","0.876","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558101","8.8103","0.0003","10.6602","0.0003","17.7138","0.0005","78.926","0.002","89.741","0.002","85.158","0.002","1626.75","0.09","123","0.2","123","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H50 Co Na O5 P4 -","- C25 H50 Co Na O5 P4 -","- C50 H100 Co2 Na2 O10 P8 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0441","0.0432","","","0.1169","0.1183","","","","","","1.037","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558102","14.474","0.0007","18.2968","0.0004","19.7326","0.0006","87.037","0.002","77.66","0.004","86.306","0.003","5090.5","0.3","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C160 H312 Co4 Li4 O35 P16 Si4 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.0967","0.0526","","","0.1051","0.1123","","","","","","0.908","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558103","14.2675","0.0003","15.0423","0.0004","18.2337","0.0005","102.047","0.002","94.044","0.002","114.602","0.002","3424.69","0.17","123.01","0.1","123.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H106 Co2 Li O6 P8 Si -","- C53 H106 Co2 Li O6 P8 Si -","- C106 H212 Co4 Li2 O12 P16 Si2 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0608","0.0494","","","0.1219","0.1321","","","","","","1.018","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558104","10.047","0.0009","11.0487","0.0007","24.242","0.0014","90","","90","","90","","2691","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O5 -","- C29 H38 O5 -","- C116 H152 O20 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1185","0.0652","","","0.1506","0.1814","","","","","","1.027","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558105","10.4833","0.0019","14.435","0.002","21.245","0.004","90","","90","","90","","3214.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","","0.71073","MoKα","","0.2473","0.0864","","","0.1593","0.2271","","","","","","1.032","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558106","23.808","0.004","10.36","0.003","11.8065","0.0017","90","","95.046","0.015","90","","2900.8","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H39 O4 S -","- C31 H35 O4 S -","- C124 H140 O16 S4 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1964","0.1019","","","0.2143","0.267","","","","","","0.992","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558113","9.756","0.0017","10.186","0.002","12.84","0.003","98.371","0.007","106.552","0.006","90.234","0.006","1208.7","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H20.8 Gd2 N2 O19.4 P6 -","- C6 H18 Gd2 N2 O19.4 P6 -","- C12 H36 Gd4 N4 O38.8 P12 -","2","1","","Mendes, Ricardo F.; Barbosa, Paula; Domingues, Eddy M.; Silva, Patrícia; Figueiredo, Filipe; Almeida Paz, Filipe A.","Enhanced proton conductivity in a layered coordination polymer.","Chemical science","2020","11","24","6305","6311","10.1039/d0sc01762k","","","0.71073","MoKα","","0.1526","0.1075","","","0.2641","0.2833","","","","","","1.154","","","","has coordinates","256036","2020-10-21","18:00:00",""
"1558114","20.0922","0.0013","11.4805","0.0006","18.359","0.0011","90","","120.155","0.003","90","","3661.7","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H59 N2 P Si2 U -","- C35 H59 N2 P Si2 U -","- C140 H236 N8 P4 Si8 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0275","0.0224","","","0.0392","0.0404","","","","","","0.996","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558115","9.8231","0.0011","11.2078","0.0013","19.039","0.003","82.061","0.004","76.9","0.006","65.055","0.004","1849","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(pentamethylcyclopentadienyl)-P-trimethylsilyl-P-methylphosphimido-trimethylsilylimidouranium(VI)","","- C35 H58 N2 P Si2 U -","- C35 H58 N2 P Si2 U -","- C70 H116 N4 P2 Si4 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0769","0.0715","","","0.2212","0.2235","","","","","","1.238","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558116","10.6409","0.0006","16.5027","0.0009","20.4856","0.0011","85.363","0.002","89.696","0.002","85.317","0.002","3573.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56 N P Si2 U -","- C33 H56 N P Si2 U -","- C132 H224 N4 P4 Si8 U4 -","4","2","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0671","0.0391","","","0.0667","0.0736","","","","","","1","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558117","11.3618","0.0009","12.1577","0.001","18.2103","0.0014","98.637","0.003","99.864","0.003","113.651","0.003","2202.3","0.3","123","2","123.01","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","1","0.5","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","1.34139","GaKα","","0.1106","0.0654","","","0.169","0.1932","","","","","","1.043","","","","has coordinates,has disorder","257285","2020-10-21","18:00:00",""
"1558118","11.36","0.011","12.085","0.01","16.842","0.014","91.22","0.02","109.72","0.02","111.47","0.02","1998","3","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Fe N4 O6 S6 -","- C36 H34 Fe N4 O6 S6 -","- C72 H68 Fe2 N8 O12 S12 -","2","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.2822","0.129","","","0.2426","0.3013","","","","","","1.092","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558119","4.795","0.0015","25.807","0.008","26.902","0.008","90","","91.827","0.006","90","","3327.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N3 O6 S6 -","- C28 H31 N3 O6 S6 -","- C112 H124 N12 O24 S24 -","4","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.1152","0.0621","","","0.1391","0.1608","","","","","","1.029","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558120","7.9871","0.0004","15.6608","0.0008","19.341","0.0011","74.494","0.005","87.66","0.004","76.49","0.004","2266.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 B F2 N2 O -","- C25 H31 B F2 N2 O -","- C100 H124 B4 F8 N8 O4 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","","1.54184","CuKα","","0.071","0.0477","","","0.123","0.1369","","","","","","1.032","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558121","13.7964","0.0007","14.4462","0.0006","14.8908","0.0007","103.965","0.004","99.568","0.004","104.025","0.004","2713.5","0.2","172","4","172","4","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F6 N2 O4 S4 -","- C24 H22 F6 N2 O4 S4 -","- C96 H88 F24 N8 O16 S16 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0673","0.0493","","","0.1364","0.1511","","","","","","1.04","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558122","7.9187","0.0004","12.1261","0.0007","13.0689","0.0006","82.67","0.004","78.619","0.004","79.315","0.005","1203.5","0.11","173.05","0.1","173.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl2 I N2 S2 -","- C22 H23 Cl2 I N2 S2 -","- C44 H46 Cl4 I2 N4 S4 -","2","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0399","0.0329","","","0.0738","0.0785","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558123","17.7575","0.0009","19.0198","0.0008","15.2682","0.0007","90","","114.649","0.006","90","","4686.9","0.4","173","0.14","173","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 B0.43 F1.72 I0.57 N2 S2 -","- C21 H21 B0.4296 F1.7184 I0.5704 N2 S2 -","- C168 H168 B3.4368 F13.7472 I4.5632 N16 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.061","0.0369","","","0.0743","0.0832","","","","","","1.008","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558124","13.3057","0.0004","12.066","0.0004","14.7108","0.0005","90","","108.185","0.004","90","","2243.81","0.14","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F3 N2 O3 S3 -","- C22 H21 F3 N2 O3 S3 -","- C88 H84 F12 N8 O12 S12 -","4","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0526","0.0369","","","0.0772","0.0845","","","","","","1.028","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558125","14.7979","0.0002","21.9313","0.0003","18.008","0.0003","90","","112.854","0.002","90","","5385.48","0.16","173","0.14","173","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 F6 N3 O4 S4 -","- C23 H21 F6 N3 O4 S4 -","- C184 H168 F48 N24 O32 S32 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0807","0.0686","","","0.1802","0.1933","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558126","17.6864","0.0008","18.688","0.0008","15.795","0.0008","90","","114.792","0.006","90","","4739.5","0.4","172.95","0.1","172.95","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 F6 N2 P S2 -","- C21 H21 F6 N2 P S2 -","- C168 H168 F48 N16 P8 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0782","0.066","","","0.1906","0.2032","","","","","","1.042","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558127","10.7051","0.0008","10.9218","0.0009","12.9779","0.0004","81.166","0.006","67.584","0.006","72.381","0.007","1335.66","0.17","197","130","197","130","","","","","","","","4","P -1","-P 1","2","","","","- C33 H37 N O -","- C33 H37 N O -","- C66 H74 N2 O2 -","2","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.1239","0.0841","","","0.2515","0.2861","","","","","","1.128","","","","has coordinates","258780","2020-11-06","11:31:00",""
"1558128","14.5781","0.0004","9.3138","0.0003","18.8307","0.0006","90","","94.961","0.003","90","","2547.21","0.14","295.5","0.4","295.5","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.48 H23 Cl N O2 -","- C28 H23 Cl N O2 -","- C112 H92 Cl4 N4 O8 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.13","0.0863","","","0.2665","0.3098","","","","","","1.112","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558129","15.001","0.003","10.5247","0.0015","22.239","0.004","90","","94.419","0.008","90","","3500.7","1.1","223","2","223.12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 N O -","- C41 H45 N O -","- C164 H180 N4 O4 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","","0.71073","MoKα","","0.169","0.0893","","","0.217","0.2635","","","","","","1.027","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558130","17.7447","0.0017","12.5982","0.0012","9.2934","0.0008","90","","114.702","0.004","90","","1887.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catnea-[bis(?-terephthalato)uranium tetrahydrate]","","- C16 H8 O12 U -","- C16 H8 O12 U -","- C64 H32 O48 U4 -","4","0.5","","Halter, Dominik P.; Klein, Ryan A.; Boreen, Michael; Trump, Benjamin A.; Brown, Craig M.; Long, Jeffrey R.","Self-Adjusting Binding Pockets Enhance H2 and CH4 Adsorption in a Uranium-Based Metal‒Organic Framework","Chemical Science","2020","","","","","10.1039/D0SC02394A","","","0.7288","synchrotron","","0.0667","0.0531","","","0.1493","0.1605","","","","","","1.087","","","","has coordinates,has disorder","252418","2020-10-21","18:00:00",""
"1558153","5.9143","0.0001","12.5172","0.0003","14.5829","0.0003","90","","97.421","0.002","90","","1070.54","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0532","0.0523","","","0.1408","0.1417","","","","","","1.05","","","","has coordinates","257286","2020-10-21","18:00:00",""
"1558154","8.9043","0.0001","10.7948","0.0001","31.6319","0.0002","90","","90","","90","","3040.46","0.05","100","0.4","100","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","2","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0306","0.03","","","0.0748","0.0751","","","","","","1.036","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558171","4.0972","0.0012","10.591","0.003","16.59","0.005","108.6","0.004","94.491","0.004","90.019","0.004","680","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Bi S2 -","- C13 H13 Bi S2 -","- C26 H26 Bi2 S4 -","2","1","","Mukhopadhyay, Deb Pratim; Schleier, Domenik; Wirsing, Sara; Ramler, Jacqueline; Kaiser, Dustin; Reusch, Engelbert; Hemberger, Patrick; Preitschopf, Tobias; Krummenacher, Ivo; Engels, Bernd; Fischer, Ingo; Lichtenberg, Crispin","Methylbismuth: an Organometallic Bismuthinidene Biradical","Chemical Science","2020","","","","","10.1039/D0SC02410D","","","0.71073","MoKα","","0.0293","0.0243","","","0.0525","0.054","","","","","","1.08","","","","has coordinates,has disorder","252619","2020-10-21","18:00:00",""
"1558174","6.6095","0.0001","17.787","0.0002","14.0522","0.0001","90","","103.1","0.001","90","","1609.03","0.03","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0667","0.0653","","","0.173","0.1739","","","","","","1.047","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558175","6.0571","0.0001","10.1647","0.0001","14.3715","0.0002","103.628","0.001","98.272","0.001","101.112","0.001","827.01","0.02","93.15","","93.15","","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C38 H46 N6 O4 -","2","2","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0368","0.0356","","","0.0957","0.0966","","","","","","1.081","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558176","21.7889","0.0004","16.4491","0.0004","24.0629","0.0005","90","","106.505","0.002","90","","8269","0.3","93.15","","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H87 Cu F6 N3 O5 P3 -","- C80 H87 Cu F6 N3 O5 P3 -","- C320 H348 Cu4 F24 N12 O20 P12 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.1027","0.068","","","0.1866","0.2118","","","","","","1.056","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558177","13.9419","0.0003","18.9963","0.0003","14.6207","0.0003","90","","97.9869","0.0019","90","","3834.65","0.13","123","2","123.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C96 H74 Cl6 -","- C96 H74 Cl6 -","- C192 H148 Cl12 -","2","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.0953","0.0732","","","0.2204","0.239","","","","","","1.066","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1558178","31.0383","0.0008","31.0383","0.0008","11.8708","0.0004","90","","90","","120","","9903.9","0.5","123","2","123.15","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C74 H84 O19 -","- C74.0001 H84 O19 -","- C444.001 H504 O114 -","6","0.333333","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.2302","0.1465","","","0.41","0.452","","","","","","1.51","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1558179","46.422","0.004","7.7267","0.0006","46.356","0.004","90","","109.884","0.01","90","","15636","2","123","2","123.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C201 H174 Cl6 -","- C201 H174 Cl6 -","- C804 H696 Cl24 -","4","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.4275","0.1677","","","0.3823","0.4979","","","","","","1.033","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1558180","11.0799","0.0009","15.4092","0.0015","16.833","0.002","111.731","0.01","95.979","0.008","99.11","0.007","2594.2","0.5","123","2","123.15","","","","","","","","","3","P -1","-P 1","2","","","","- C142.5 H106 O2 -","- C142.5 H106 O2 -","- C142.5 H106 O2 -","1","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.3183","0.1177","","","0.2859","0.3871","","","","","","0.959","","","","has coordinates,has disorder","252658","2020-10-21","18:00:00",""
"1558181","8.9253","0.0005","15.5724","0.0009","25.2322","0.0014","98.168","0.005","91.134","0.005","103.075","0.005","3376.5","0.3","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H83 Cl2 Cu N13 O9 Si -","- C52 H83 Cl Cu N13 O9 Si -","- C104 H166 Cl2 Cu2 N26 O18 Si2 -","2","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.0924","0.0716","","","0.202","0.2197","","","","","","1.048","","","","has coordinates","252659","2020-10-21","18:00:00",""
"1558182","9.207","0.0003","15.6088","0.0003","23.6308","0.0005","85.168","0.002","79.223","0.002","76.681","0.002","3243.35","0.14","220.01","0.1","220.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53.81 H87.51 N13 O9.45 Si -","- C53.8074 H87.5185 N13 O9.45185 Si -","- C107.615 H175.037 N26 O18.9037 Si2 -","2","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.0939","0.0809","","","0.2505","0.2641","","","","","","1.05","","","","has coordinates,has disorder","252659","2020-10-21","18:00:00",""
"1558183","9.1099","0.0002","24.1351","0.0009","34.1137","0.0011","90","","90","","90","","7500.5","0.4","150","0.02","150","0.02","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H84 Cl Cu N13 O12 Si -","- C53 H84 Cl Cu N13 O12 Si -","- C212 H336 Cl4 Cu4 N52 O48 Si4 -","4","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.1081","0.0715","","","0.1715","0.1949","","","","","","1.052","","","","has coordinates,has disorder","252659","2020-10-21","18:00:00",""
"1558195","8.4965","0.0005","7.8419","0.0005","26.1413","0.0017","90","","90.318","0.002","90","","1741.73","0.19","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 In N4 -","- C12 H36 Ag Br12 In N4 -","- C24 H72 Ag2 Br24 In2 N8 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.71073","MoKα","","0.0684","0.0599","","","0.1573","0.1641","","","","","","1.112","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558196","11.3098","0.0004","12.6075","0.0005","18.2063","0.0007","90","","95.713","0.002","90","","2583.11","0.17","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Ag Br8 N6 Tl -","- C10 H22 Ag Br8 N6 Tl -","- C40 H88 Ag4 Br32 N24 Tl4 -","4","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.05","0.0496","","","0.1036","0.1041","","","","","","1.126","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558197","8.4673","0.0003","7.8406","0.0003","26.1647","0.001","90","","90.312","0.002","90","","1737.01","0.11","298","","298","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 N4 Tl -","- C12 H36 Ag Br12 N4 Tl -","- C24 H72 Ag2 Br24 N8 Tl2 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.0495","0.038","","","0.0862","0.0905","","","","","","1.082","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558198","7.8617","0.0006","7.8687","0.0006","23.0185","0.0011","83.703","0.005","85.727","0.005","89.818","0.006","1411.41","0.17","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag Br7 Cs N2 Tl -","- C16 H24 Ag Br7 Cs N2 Tl -","- C32 H48 Ag2 Br14 Cs2 N4 Tl2 -","2","1","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.6888","synchrotron","","0.0882","0.0661","","","0.1745","0.1934","","","","","","1.072","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558199","8.1603","0.0002","9.806","0.0003","10.9374","0.0002","92.13","0.003","108.187","0.002","114.618","0.002","741.61","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.61 N2 O2 -","- C18 H14.606 N2 O2 -","- C36 H29.212 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0345","0.0322","","","0.0896","0.0912","","","","","","1.085","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558200","8.18873","0.00015","9.82362","0.00013","10.94583","0.00015","92.3016","0.0011","108.097","0.0014","114.537","0.0015","746.66","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.6 N2 O2 -","- C18 H14.6 N2 O2 -","- C36 H29.2 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0366","0.0336","","","0.0937","0.0959","","","","","","1.096","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558201","8.20354","0.00016","9.82973","0.00015","10.95062","0.00015","92.3825","0.0012","108.058","0.0014","114.49","0.0017","749.11","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.58 N2 O2 -","- C18 H14.582 N2 O2 -","- C36 H29.164 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0377","0.0343","","","0.0964","0.0992","","","","","","1.108","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558202","8.23553","0.00013","9.85058","0.00013","10.96006","0.00014","92.5489","0.0011","107.957","0.0013","114.434","0.0014","754.73","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.6 N2 O2 -","- C18 H14.602 N2 O2 -","- C36 H29.204 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0401","0.0356","","","0.0992","0.1034","","","","","","1.055","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558203","8.17391","0.00017","9.8142","0.00015","10.94231","0.00017","92.2144","0.0013","108.147","0.0016","114.571","0.0017","744.1","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.59 N2 O2 -","- C18 H14.588 N2 O2 -","- C36 H29.176 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0359","0.0335","","","0.0922","0.0941","","","","","","1.109","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558204","8.12328","0.00014","9.8351","0.0002","10.91847","0.00014","92.3839","0.0018","107.856","0.0013","114.498","0.0015","741.07","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.03 N2 O2 -","- C18 H15.026 N2 O2 -","- C36 H30.052 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.034","0.032","","","0.086","0.0876","","","","","","1.066","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558205","8.21931","0.00013","9.84133","0.00013","10.95472","0.00014","92.4662","0.0011","108.006","0.0013","114.464","0.0014","751.94","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.61 N2 O2 -","- C18 H14.612 N2 O2 -","- C36 H29.224 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0387","0.0347","","","0.0982","0.1016","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558206","8.13837","0.00014","9.845","0.0002","10.92312","0.00012","92.4784","0.0016","107.824","0.0012","114.466","0.0015","743.63","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.01 N2 O2 -","- C18 H15.012 N2 O2 -","- C36 H30.024 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0354","0.0332","","","0.0893","0.0912","","","","","","1.053","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558207","8.15433","0.00011","9.85391","0.00012","10.92795","0.00012","92.5643","0.0009","107.788","0.0011","114.426","0.0012","746.298","0.019","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.036","0.0336","","","0.0919","0.0939","","","","","","1.061","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558208","8.18944","0.00009","9.8706","0.0001","10.93717","0.00011","92.7279","0.0008","107.74","0.0009","114.348","0.001","751.727","0.016","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0377","0.0344","","","0.0974","0.1005","","","","","","1.087","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558209","8.17154","0.0001","9.86186","0.00011","10.93238","0.00011","92.6441","0.0008","107.766","0.001","114.385","0.0011","748.951","0.018","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0369","0.034","","","0.0954","0.0981","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558210","8.2084","0.0001","9.88002","0.0001","10.94248","0.0001","92.814","0.0008","107.711","0.0009","114.311","0.0011","754.705","0.017","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0395","0.0353","","","0.0999","0.104","","","","","","1.088","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558211","8.09764","0.00012","9.8669","0.00019","10.89543","0.00013","92.528","0.0017","107.588","0.0012","114.469","0.0014","740.79","0.02","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.008 H15.508 N2 O2 -","- C36.016 H31.016 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0339","0.0321","","","0.0903","0.0919","","","","","","1.069","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558212","8.11309","0.00011","9.8742","0.00017","10.89995","0.00012","92.6153","0.0016","107.553","0.0011","114.438","0.0013","743.2","0.02","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.5 N2 O2 -","- C18.004 H15.504 N2 O2 -","- C36.008 H31.008 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0354","0.033","","","0.0922","0.0944","","","","","","1.072","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558213","8.14797","0.0001","9.89332","0.00016","10.90921","0.00011","92.7875","0.0014","107.497","0.001","114.364","0.0012","748.78","0.02","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.014 H15.514 N2 O2 -","- C36.028 H31.028 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0371","0.0341","","","0.0959","0.099","","","","","","1.071","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558214","8.13025","0.0001","9.88487","0.00015","10.90533","0.00011","92.7008","0.0014","107.519","0.001","114.402","0.0012","746.12","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.01 H15.51 N2 O2 -","- C36.02 H31.02 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0362","0.0335","","","0.0937","0.0961","","","","","","1.057","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558215","8.16783","0.0001","9.90151","0.00016","10.91446","0.00011","92.8705","0.0014","107.486","0.001","114.321","0.0012","751.69","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.01 H15.51 N2 O2 -","- C36.02 H31.02 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0381","0.0348","","","0.0985","0.1015","","","","","","1.069","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558216","8.07384","0.00014","9.7536","0.0002","10.90755","0.00017","92.9033","0.0015","107.326","0.0015","114.087","0.0019","733.83","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.95 H14 N3.05 O2 -","- C16.948 H14 N3.048 O2 -","- C33.896 H28 N6.096 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0509","0.0442","","","0.1163","0.1206","","","","","","1.089","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558217","8.1172","0.0002","9.7795","0.0003","10.9256","0.0002","93.2084","0.0019","107.177","0.002","113.972","0.003","741.6","0.04","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.92 H14 N3.07 O2 -","- C16.92 H14 N3.07 O2 -","- C33.84 H28 N6.14 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0557","0.0455","","","0.1264","0.1336","","","","","","1.072","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558218","8.1338","0.0002","9.791","0.0003","10.934","0.0003","93.322","0.002","107.125","0.002","113.929","0.003","744.78","0.04","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.9 H14 N3.08 O2 -","- C16.9 H14 N3.086 O2 -","- C33.8 H28 N6.172 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0565","0.0448","","","0.1175","0.1251","","","","","","1.052","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558219","8.10148","0.00018","9.7713","0.0002","10.9201","0.0002","93.1101","0.0018","107.23","0.0019","114.004","0.002","738.97","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.96 H14 N3.04 O2 -","- C16.96 H14 N3.038 O2 -","- C33.92 H28 N6.076 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0536","0.0451","","","0.1223","0.1288","","","","","","1.057","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558220","8.0587","0.0002","9.7436","0.0003","10.9027","0.0002","92.797","0.002","107.379","0.002","114.108","0.003","731.27","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.97 H14 N3.01 O2 -","- C16.974 H14 N3.014 O2 -","- C33.948 H28 N6.028 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0496","0.043","","","0.1164","0.1205","","","","","","1.078","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558221","8.18898","0.0001","9.90985","0.00017","10.91962","0.00012","92.962","0.0016","107.478","0.0011","114.277","0.0013","754.69","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.02 H15.52 N2 O2 -","- C18.018 H15.518 N2 O2 -","- C36.036 H31.036 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0402","0.0362","","","0.1033","0.1068","","","","","","1.088","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558222","7.9981","0.0002","9.7278","0.0003","10.8484","0.0003","93.16","0.002","106.919","0.003","113.993","0.003","723.07","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.53 H14 N3.47 O2 -","- C16.526 H14 N3.466 O2 -","- C33.052 H28 N6.932 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0468","0.0419","","","0.1159","0.1204","","","","","","1.071","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558223","8.01758","0.00017","9.732","0.0002","10.86038","0.00018","93.301","0.0015","106.87","0.0017","113.897","0.002","726.41","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.51 H14 N3.49 O2 -","- C16.508 H14 N3.492 O2 -","- C33.016 H28 N6.984 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0523","0.0442","","","0.1256","0.1318","","","","","","1.09","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558224","8.08726","0.00015","9.7628","0.0002","10.91257","0.00018","93.0131","0.0015","107.272","0.0016","114.044","0.0019","736.33","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.94 H14 N3.06 O2 -","- C16.936 H14 N3.054 O2 -","- C33.872 H28 N6.108 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0503","0.0433","","","0.1199","0.124","","","","","","1.099","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558225","8.0515","0.0002","9.7483","0.0003","10.8766","0.0003","93.548","0.002","106.805","0.002","113.77","0.003","732.23","0.04","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.48 H14 N3.52 O2 -","- C16.478 H14 N3.524 O2 -","- C32.956 H28 N7.048 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0562","0.0458","","","0.132","0.1416","","","","","","1.094","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558226","8.0696","0.0002","9.7563","0.0003","10.8866","0.0003","93.656","0.002","106.798","0.003","113.712","0.003","735.24","0.04","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.49 H14 N3.51 O2 -","- C16.488 H14 N3.51 O2 -","- C32.976 H28 N7.02 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0583","0.0462","","","0.1272","0.1378","","","","","","1.055","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558227","8.0903","0.0003","9.7624","0.0003","10.8911","0.0003","93.754","0.003","106.789","0.003","113.675","0.004","737.88","0.05","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.47 H14 N3.52 O2 -","- C16.468 H14 N3.52 O2 -","- C32.936 H28 N7.04 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0676","0.0542","","","0.151","0.179","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558228","8.03328","0.00018","9.7401","0.0002","10.8685","0.0002","93.4267","0.0017","106.846","0.0019","113.829","0.002","729.18","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.51 H14 N3.49 O2 -","- C16.514 H14 N3.492 O2 -","- C33.028 H28 N6.984 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0542","0.0453","","","0.1279","0.1357","","","","","","1.041","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558229","8.0377","0.0003","9.8551","0.0004","10.8773","0.0003","92.913","0.004","107.077","0.003","114.297","0.003","735.96","0.05","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.6 H15.6 N2.4 O2 -","- C17.604 H15.604 N2.396 O2 -","- C35.208 H31.208 N4.792 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0378","0.0357","","","0.1023","0.1042","","","","","","1.085","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558230","8.05644","0.00011","9.86768","0.00017","10.88249","0.00016","92.9895","0.0018","107.093","0.0013","114.302","0.0013","738.62","0.02","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.57 H15.57 N2.43 O2 -","- C17.572 H15.572 N2.4278 O2 -","- C35.144 H31.144 N4.8556 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0393","0.0364","","","0.1055","0.1084","","","","","","1.088","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558231","8.06741","0.00016","9.8484","0.0002","10.893","0.0002","93.6858","0.0016","106.675","0.0017","113.951","0.002","741.35","0.03","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.03 H15.03 N2.97 O2 -","- C17.03 H15.03 N2.972 O2 -","- C34.06 H30.06 N5.944 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0519","0.0404","","","0.1087","0.1226","","","","","","1.036","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558232","8.09014","0.0001","9.88806","0.00015","10.89279","0.00013","93.1584","0.0016","107.044","0.0011","114.243","0.0011","744.09","0.02","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.56 H15.56 N2.44 O2 -","- C17.56 H15.56 N2.441 O2 -","- C35.12 H31.12 N4.882 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0409","0.0372","","","0.1068","0.1104","","","","","","1.08","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558233","8.10962","0.00013","9.89822","0.00018","10.89834","0.00015","93.245","0.0018","107.036","0.0013","114.206","0.0013","747.06","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.54 H15.54 N2.46 O2 -","- C17.542 H15.542 N2.4576 O2 -","- C35.084 H31.084 N4.9152 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0432","0.0381","","","0.1089","0.1141","","","","","","1.069","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558234","8.04836","0.00015","9.83877","0.00018","10.88786","0.00018","93.5909","0.0014","106.703","0.0016","113.993","0.0018","738.39","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.04 H15.04 N2.96 O2 -","- C17.038 H15.038 N2.962 O2 -","- C34.076 H30.076 N5.924 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0479","0.0387","","","0.1032","0.1148","","","","","","1.042","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558235","8.07233","0.0001","9.87774","0.00015","10.88779","0.00014","93.07","0.0016","107.065","0.0011","114.273","0.0011","741.29","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.55 H15.55 N2.45 O2 -","- C17.552 H15.552 N2.4496 O2 -","- C35.104 H31.104 N4.8992 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0397","0.0364","","","0.1047","0.108","","","","","","1.071","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558236","7.99695","0.00015","9.8077","0.0003","10.8728","0.0002","93.323","0.003","106.818","0.0017","114.09","0.002","729.92","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.08 H15.08 N2.92 O2 -","- C17.084 H15.084 N2.9156 O2 -","- C34.168 H30.168 N5.8312 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0423","0.037","","","0.1024","0.109","","","","","","1.052","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558237","8.13099","0.00012","9.90773","0.00012","10.90319","0.00014","93.353","0.001","107.021","0.0013","114.161","0.0013","750.13","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.54 H15.54 N2.46 O2 -","- C17.542 H15.542 N2.458 O2 -","- C35.084 H31.084 N4.916 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0452","0.0398","","","0.1081","0.1131","","","","","","0.991","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558238","8.03047","0.00014","9.82913","0.00017","10.88163","0.00017","93.5015","0.0014","106.735","0.0015","114.029","0.0017","735.48","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.09 H15.09 N2.91 O2 -","- C17.088 H15.088 N2.9116 O2 -","- C34.176 H30.176 N5.8232 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0465","0.039","","","0.1026","0.1114","","","","","","1.043","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558239","8.01388","0.00015","9.81882","0.00018","10.8766","0.00017","93.4063","0.0014","106.777","0.0015","114.063","0.0018","732.7","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.07 H15.07 N2.93 O2 -","- C17.072 H15.072 N2.9268 O2 -","- C34.144 H30.144 N5.8536 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0438","0.0376","","","0.1044","0.1123","","","","","","1.045","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558240","8.0886","0.0002","9.8583","0.0002","10.9012","0.0002","93.7995","0.0018","106.674","0.002","113.898","0.002","744.61","0.03","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.05 H15.05 N2.95 O2 -","- C17.05 H15.05 N2.952 O2 -","- C34.1 H30.1 N5.904 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0562","0.0415","","","0.1105","0.1288","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558241","7.98898","0.00012","9.77584","0.00013","10.85419","0.00016","93.7189","0.0012","106.507","0.0014","113.822","0.0014","727.76","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.46 H14.46 N3.54 O2 -","- C32.92 H28.92 N7.08 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0428","0.0394","","","0.1134","0.1168","","","","","","1.086","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558242","8.17264","0.00014","9.78791","0.00016","10.94559","0.00017","92.4657","0.0013","107.828","0.0015","114.409","0.0016","744.37","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.34 H14 N2.66 O2 -","- C17.336 H14 N2.664 O2 -","- C34.672 H28 N5.328 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.047","0.0401","","","0.1117","0.1185","","","","","","1.051","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558243","8.1874","0.00015","9.79793","0.00017","10.95147","0.00018","92.5603","0.0014","107.767","0.0016","114.368","0.0017","747.21","0.03","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.31 H14 N2.69 O2 -","- C17.312 H14 N2.688 O2 -","- C34.624 H28 N5.376 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0494","0.0413","","","0.1148","0.1225","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558244","8.15991","0.00018","9.7782","0.0002","10.9363","0.0003","92.3422","0.0018","107.888","0.002","114.448","0.002","741.61","0.04","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.346 H14 N2.654 O2 -","- C34.692 H28 N5.308 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0457","0.0402","","","0.1123","0.1172","","","","","","1.061","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558245","8.20177","0.00017","9.80593","0.00019","10.9558","0.0002","92.6345","0.0016","107.715","0.0018","114.33","0.0019","749.76","0.03","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.31 H14 N2.69 O2 -","- C17.31 H14 N2.69 O2 -","- C34.62 H28 N5.38 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0502","0.0405","","","0.1143","0.1232","","","","","","1.05","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558246","7.9687","0.0002","9.7664","0.0002","10.8474","0.0002","93.626","0.0017","106.527","0.002","113.856","0.002","724.72","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.59 H14.59 N3.41 O2 -","- C16.486 H14.486 N3.514 O2 -","- C32.972 H28.972 N7.028 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.042","0.0388","","","0.1084","0.1117","","","","","","1.064","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558247","8.14555","0.00015","9.77001","0.00017","10.9352","0.0002","92.273","0.0014","107.942","0.0016","114.49","0.0017","739.23","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.348 H14 N2.652 O2 -","- C34.696 H28 N5.304 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0434","0.0386","","","0.1064","0.1107","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558248","8.13293","0.00019","9.7619","0.0002","10.9275","0.0003","92.167","0.002","107.99","0.002","114.537","0.002","736.68","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.354 H14 N2.648 O2 -","- C34.708 H28 N5.296 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0426","0.0382","","","0.1056","0.1091","","","","","","1.066","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558249","8.02672","0.00012","9.79494","0.00016","10.86753","0.00018","93.9195","0.0013","106.46","0.0014","113.719","0.0015","733.83","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.46 H14.46 N3.54 O2 -","- C32.92 H28.92 N7.08 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0472","0.0422","","","0.1206","0.1254","","","","","","1.063","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558250","8.00509","0.00019","9.78356","0.00018","10.8603","0.0002","93.8151","0.0016","106.48","0.0019","113.764","0.002","730.44","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.45 H14.45 N3.55 O2 -","- C16.45 H14.45 N3.55 O2 -","- C32.9 H28.9 N7.1 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0455","0.0412","","","0.116","0.1205","","","","","","1.07","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558251","8.04776","0.00011","9.80445","0.00015","10.87711","0.00016","94.0306","0.0012","106.45","0.0013","113.656","0.0014","737.25","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.458 H14.458 N3.542 O2 -","- C32.916 H28.916 N7.084 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0494","0.0433","","","0.1247","0.1308","","","","","","1.079","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558252","7.9561","0.0002","9.75452","0.00015","10.8395","0.0002","93.5338","0.0016","106.566","0.002","113.885","0.0019","722.05","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.5 H14.5 N3.5 O2 -","- C16.496 H14.496 N3.504 O2 -","- C32.992 H28.992 N7.008 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0398","0.0372","","","0.1058","0.1083","","","","","","1.058","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558253","28.78","0.003","10.3596","0.0009","15.8174","0.0013","90","","90.308","0.005","90","","4715.9","0.7","149.9","","149.9","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0538","0.0395","","","0.1003","0.1108","","","","","","1.066","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558254","16.4813","0.0008","27.568","0.0013","12.5577","0.0007","90","","104.255","0.002","90","","5530","0.5","149.62","","149.62","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C242 H244 B8 Cl8 F8 Ir4 N24 -","4","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0491","0.0356","","","0.083","0.0899","","","","","","1.055","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558255","26.308","0.006","7.8235","0.0016","24.123","0.005","90","","112.783","0.014","90","","4577.6","1.8","99","2","99.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0969","0.0577","","","0.1215","0.1402","","","","","","1.028","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558256","18.4114","0.0015","18.6821","0.0019","22.004","0.002","93.733","0.004","105.248","0.004","113.314","0.003","6582.5","1.1","100","2","99.69","","","","","","","","","7","P -1","-P 1","2","","","","- C61.88 H40.12 B2 F26 Ir N6 O2 -","- C61.875 H40.125 B2 F26 Ir N6 O2 -","- C247.5 H160.5 B8 F104 Ir4 N24 O8 -","4","2","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0766","0.0526","","","0.1278","0.1432","","","","","","1.037","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558257","12.4966","0.0004","21.3798","0.0007","17.4791","0.0006","90","","99.826","0.003","90","","4601.5","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H53 Cl2 P3 Ru -","- C51 H53 Cl2 P3 Ru -","- C204 H212 Cl8 P12 Ru4 -","4","1","","Wang, Zheng; Zhao, Ziwei; Li, Yong; Zhong, Yanxia; Zhang, Qiuyue; Liu, Qingbin; Solan, Gregory; Ma, Yanping; Sun, Wen Hua","Ruthenium-catalyzed Hydrogenation of CO2 as a Route to Methyl Esters for use as Biofuels or fine Chemicals","Chemical Science","2020","","","","","10.1039/D0SC02942D","","","0.71073","MoKα","","0.1426","0.0771","","","0.1831","0.2175","","","","","","1.032","","","","has coordinates","252962","2020-10-21","18:00:00",""
"1558258","19.968","0.004","12.863","0.003","19.229","0.004","90","","105.75","0.03","90","","4753.5","1.9","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H55 Cl2 O5 P3 Ru -","- C52 H55 Cl2 O5 P3 Ru -","- C208 H220 Cl8 O20 P12 Ru4 -","4","1","","Wang, Zheng; Zhao, Ziwei; Li, Yong; Zhong, Yanxia; Zhang, Qiuyue; Liu, Qingbin; Solan, Gregory; Ma, Yanping; Sun, Wen Hua","Ruthenium-catalyzed Hydrogenation of CO2 as a Route to Methyl Esters for use as Biofuels or fine Chemicals","Chemical Science","2020","","","","","10.1039/D0SC02942D","","","0.71073","MoKα","","0.0363","0.0356","","","0.0844","0.0851","","","","","","1.0397","","","","has coordinates,has disorder","252962","2020-10-21","18:00:00",""
"1558259","15.1904","0.0002","15.2935","0.0003","23.3304","0.0004","90","","90","","90","","5419.99","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Co N4 O2 -","- C34 H26 Co N4 O2 -","- C272 H208 Co8 N32 O16 -","8","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0469","0.0355","","","0.0957","0.1006","","","","","","1.033","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558260","11.1539","0.0003","16.6946","0.0004","14.6989","0.0003","90","","99.257","0.002","90","","2701.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Co N4 O2 -","- C34 H24 Co N4 O2 -","- C136 H96 Co4 N16 O8 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.08","0.0649","","","0.1669","0.18","","","","","","1.061","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558261","14.5135","0.0005","16.2562","0.0004","17.4421","0.0008","87.763","0.003","69.624","0.004","70.719","0.003","3627.9","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H35 Co N4 O4 -","- C38 H35 Co N4 O4 -","- C152 H140 Co4 N16 O16 -","4","2","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.1157","0.0909","","","0.2336","0.2488","","","","","","1.032","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558262","10.53544","0.00014","12.59025","0.00016","15.1966","0.0002","79.8711","0.0012","86.4335","0.0012","78.999","0.0011","1947","0.05","155","0.1","155","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Co N2 O5 P -","- C45 H39 Co N2 O5 P -","- C90 H78 Co2 N4 O10 P2 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0599","0.0475","","","0.1278","0.1343","","","","","","1.041","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558263","13.10757","0.00017","22.2355","0.0003","16.9979","0.0002","90","","101.054","0.0014","90","","4862.18","0.11","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H61 Co N2 O6 P -","- C55 H61 Co N2 O6 P -","- C220 H244 Co4 N8 O24 P4 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0618","0.0466","","","0.123","0.1314","","","","","","1.051","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558264","11.6863","0.0007","20.5971","0.0008","19.6222","0.0009","90","","106.514","0.006","90","","4528.3","0.4","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 Cl4 Co N6 O3 -","- C53 H41 Cl4 Co N6 O3 -","- C212 H164 Cl16 Co4 N24 O12 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.0898","0.067","","","0.1809","0.1965","","","","","","1.017","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558265","10.9148","0.0002","12.216","0.0002","14.515","0.0003","77.378","0.002","74.686","0.002","89.375","0.002","1819.28","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Co N4 O4 -","- C45 H39 Co N4 O4 -","- C90 H78 Co2 N8 O8 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0449","0.0393","","","0.1085","0.1124","","","","","","1.056","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558274","8.0721","0.0002","15.6353","0.0005","16.4422","0.0005","90","","98.2832","0.0014","90","","2053.52","0.1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H28 B F4 N2 O2.5 -","- C21 H28 B F4 N2 O2.5 -","- C84 H112 B4 F16 N8 O10 -","4","2","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0459","0.0424","","","0.0996","0.105","","","","","","1.068","","","","has coordinates,has disorder","253052","2020-10-21","18:00:00",""
"1558275","9.6961","0.0003","10.2407","0.0003","23.6533","0.0008","90","","90","","90","","2348.65","0.13","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B2 F8 N2 O2 -","- C22 H30 B2 F8 N2 O2 -","- C88 H120 B8 F32 N8 O8 -","4","1","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0268","0.0256","","","0.0638","0.0651","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1558276","33.189","0.008","10.162","0.003","7.2434","0.0018","90","","90","","90","","2443","1.1","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 -","- C14 H9 N7 -","- C112 H72 N56 -","8","1","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.0923","0.0497","","","0.1122","0.1334","","","","","","1.059","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558277","3.7357","0.0018","14.805","0.007","23.784","0.011","90","","90.284","0.007","90","","1315.4","1.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 O1.7 -","- C14 H9 N7 O1.7 -","- C56 H36 N28 O6.8 -","4","1","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.147","0.0665","","","0.1518","0.1946","","","","","","1","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558278","18.0949","0.0007","8.8509","0.0004","17.3684","0.0007","90","","117.796","0.001","90","","2460.69","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 -","- C14 H9 N7 -","- C112 H72 N56 -","8","2","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.0696","0.0468","","","0.1245","0.1415","","","","","","1.028","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558282","16.6707","0.0014","9.3051","0.0009","13.8903","0.0013","90","","107.808","0.003","90","","2051.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Yang, Ping; Zheng, Chao; Nie, Yu-Han; You, Shuli","Palladium-Catalyzed Dearomative 1,4-Difunctionalization of Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02816A","","","0.71073","MoKα","","0.0854","0.0502","","","0.115","0.1388","","","","","","1.051","","","","has coordinates","253075","2020-10-21","18:00:00",""
"1558283","12.8388","0.0004","11.4187","0.0004","13.7487","0.0004","90","","113.469","0.001","90","","1848.85","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Yang, Ping; Zheng, Chao; Nie, Yu-Han; You, Shuli","Palladium-Catalyzed Dearomative 1,4-Difunctionalization of Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02816A","","","0.71073","MoKα","","0.0531","0.0415","","","0.111","0.122","","","","","","1.015","","","","has coordinates","253075","2020-10-21","18:00:00",""
"1558284","24.4252","0.0001","10.9277","0.0001","40.2845","0.0002","90","","107.399","0.001","90","","10260.4","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H144 K4 Si8 Th2 -","- C99 H144 K4 Si8 Th2 -","- C396 H576 K16 Si32 Th8 -","4","1","","Boronski, Josef; Wooles, Ashley; Liddle, Stephen","Heteroleptic Actinocenes: A Thorium(IV)-Cyclobutadienyl-Cyclooctatetraenyl-Di-Potassium-Cyclooctatetraenyl Complex","Chemical Science","2020","","","","","10.1039/D0SC02479A","","x-ray","1.54184","CuKα","","0.0259","0.0251","","","0.0633","0.0637","","","","","","1.069","","","","has coordinates,has disorder","253076","2020-10-21","18:00:00",""
"1558296","16.9463","0.0003","24.3235","0.0004","17.9675","0.0003","90","","98.7581","0.0015","90","","7319.7","0.2","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 1.3THF","[{(py)U(OH)2U(O2C6H4)(py)}(LA)]","","- C86 H88 N10 O7 U2 -","- C86 H88 N10 O7 U2 -","- C344 H352 N40 O28 U8 -","4","0.5","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0514","0.0336","","","0.057","0.0615","","","","","","1.034","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558297","14.0058","0.0003","21.7361","0.0005","14.7736","0.0003","90","","105.395","0.002","90","","4336.17","0.17","120","0.1","120","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Compound 6.solvent","[{(py)U(Cl)2U(O2C6H4)(py)}(LA)]","","- C74 H62 Cl2 N10 O2 U2 -","- C74 H62 Cl2 N10 O2 U2 -","- C148 H124 Cl4 N20 O4 U4 -","2","0.5","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0632","0.0382","","","0.0746","0.0814","","","","","","1.022","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558298","12.2163","0.0005","13.1548","0.0005","21.1659","0.001","77.753","0.004","76.263","0.004","72.589","0.004","3116","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Compound 8.solvent","[{(py)ClUOUCl(py)}(LA)]","","- C68 H58 Cl2 N10 O U2 -","- C68 H58 Cl2 N10 O U2 -","- C136 H116 Cl4 N20 O2 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0858","0.059","","","0.1139","0.1241","","","","","","1.054","","","","has coordinates","253137","2020-10-21","18:00:00",""
"1558299","14.6146","0.0003","16.3896","0.0004","18.1536","0.0004","77.518","0.002","78.699","0.002","82.007","0.002","4141.91","0.17","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","Compound 5A.3dme","[{(py)U(u-F)(u-OBcat)U(u-O2C6H4)(py)}(LA)]","","- C92 H96 B F N10 O11 U2 -","- C92 H96 B F N10 O11 U2 -","- C184 H192 B2 F2 N20 O22 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0701","0.0407","","","0.0746","0.0838","","","","","","1.045","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558300","10.6363","0.0006","14.9997","0.0008","21.8493","0.0012","90.546","0.004","102.195","0.005","94.113","0.005","3397.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 2.C6H6","[{(py)U(OMe)1.69(OH)0.31U(O2C6H4)(py)}(LA)]","","- C81.69 H73.06 N10 O4 U2 -","- C81.687 H73.061 N10 O4 U2 -","- C163.374 H146.122 N20 O8 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0856","0.052","","","0.0629","0.07","","","","","","1.019","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558301","13.7332","0.0002","17.5327","0.0003","18.0598","0.0003","77.619","0.001","85.469","0.001","88.925","0.001","4234.03","0.12","120","1","120","1","","","","","","","","6","P -1","-P 1","2","Compound 3.5py","[{(py)U(S2)U(O2C6H4)(py)}(LA)]","","- C99 H88 N15 O2 S2 U2 -","- C99 H88 N15 O2 S2 U2 -","- C198 H176 N30 O4 S4 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0861","0.0385","","","0.0481","0.0511","","","","","","0.765","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558302","10.9153","0.0002","19.1212","0.0004","34.2194","0.0006","90","","92.935","0.002","90","","7132.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 4.2CH2Cl2","[{(py)U(u-Se2)U(u-O2C6H4)(py)}(LA)]","","- C76 H66 Cl4 N10 O2 Se2 U2 -","- C76 H66 Cl4 N10 O2 Se2 U2 -","- C304 H264 Cl16 N40 O8 Se8 U8 -","4","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0559","0.0424","","","0.0749","0.0787","","","","","","1.064","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558303","17.5381","0.0004","26.228","0.0006","17.8435","0.0004","90","","91.942","0.002","90","","8203.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound 5.4py","[{(py)U(u-F)2U(u-O2C6H4)(py)}(LA)]","","- C94 H82 F2 N14 O2 U2 -","- C94 H82 F2 N14 O2 U2 -","- C376 H328 F8 N56 O8 U8 -","4","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0758","0.0449","","","0.0707","0.0784","","","","","","1.011","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558304","24.325","0.0009","9.9336","0.0004","28.2901","0.0012","90","","104.953","0.0014","90","","6604.4","0.5","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","JL-376-1_250K","","","- C36 H29 B F2 N2 O0.5 -","- C36 H29 B F2 N2 O0.5 -","- C288 H232 B8 F16 N16 O4 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.139","0.0746","","","0.2262","0.2774","","","","","","1.051","","","","has coordinates,has disorder","258779","2020-11-06","11:30:40",""
"1558305","11.6062","0.0005","32.6033","0.001","7.6374","0.0003","90","","108.632","0.002","90","","2738.53","0.18","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-21_250K","","","- C34 H25 B F2 N2 -","- C34 H25 B F2 N2 -","- C136 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.091","0.0497","","","0.1316","0.1607","","","","","","1.099","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558306","12.5426","0.0005","41.2031","0.0015","13.9741","0.0005","90","","115.881","0.001","90","","6497.4","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376_1_250K","","","- C44 H33 B F2 N2 -","- C44 H33 B F2 N2 -","- C352 H264 B8 F16 N16 -","8","2","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0862","0.0466","","","0.1442","0.1878","","","","","","1.039","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558307","20.361","0.006","16.095","0.005","23.355","0.007","90","","114.048","0.007","90","","6989","4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JL364-68.MOR_200K","","","- C48 H38 N2 O2 -","- C48 H38 N2 O2 -","- C384 H304 N16 O16 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.2306","0.0729","","","0.1629","0.2629","","","","","","1.003","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558308","10.1937","0.0006","11.001","0.0006","14.28","0.0007","105.446","0.003","103.611","0.003","94.765","0.003","1481.92","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-11","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C72 H58 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1582","0.0561","","","0.1473","0.2279","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558309","14.395","0.004","14.038","0.003","18.526","0.005","90","","108.639","0.011","90","","3547.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JL376-5_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C144 H116 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1716","0.0962","","","0.2819","0.3532","","","","","","1.03","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558310","7.916","0.0014","10.089","0.002","15.968","0.003","79.032","0.011","88.721","0.01","85.253","0.01","1247.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-21DEHIDRO","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C62 H50 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0602","0.044","","","0.1348","0.1632","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558311","16.0345","0.0007","8.5128","0.0004","17.8694","0.0007","90","","93.426","0.002","90","","2434.79","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-22DEH_200K","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C124 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0464","0.0369","","","0.0984","0.1078","","","","","","1.052","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558312","21.0905","0.0005","18.983","0.0006","8.7486","0.0003","90","","90","","90","","3502.6","0.18","250","2","250","2","","","","","","","","5","P n m a","-P 2ac 2n","62","JL376-26_250K","","","- C46 H33 B F2 N2 -","- C46 H33 B F2 N2 -","- C184 H132 B4 F8 N8 -","4","0.5","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0808","0.0421","","","0.1233","0.178","","","","","","1.056","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558313","17.6517","0.0004","17.6517","0.0004","36.5175","0.001","90","","90","","90","","11378.2","0.5","250","2","250","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","JL376-17_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C576 H464 B16 F32 N32 -","16","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0632","0.0378","","","0.0988","0.1486","","","","","","1.01","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558314","7.4833","0.0005","14.4445","0.001","19.1563","0.001","111.599","0.003","95.542","0.003","94.737","0.003","1900.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","JL363-68_200K","","","- C48 H37 B F2 N2 O2 -","- C48 H37 B F2 N2 O2 -","- C96 H74 B2 F4 N4 O4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1122","0.0528","","","0.1404","0.1859","","","","","","1.064","","","","has coordinates,has disorder","258779","2020-11-06","11:30:41",""
"1558320","10.1578","0.0019","11.4859","0.0018","14.985","0.003","90","","106.365","0.017","90","","1677.5","0.5","300","2","300.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","sql-1,3-Co-NCS","","","- C24 H16 Co N10 S2 -","- C24 H16 Co N10 S2 -","- C48 H32 Co2 N20 S4 -","2","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.2123","0.1287","","","0.3214","0.3547","","","","","","1.071","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558321","13.6994","0.0005","20.4799","0.0007","21.1055","0.0007","78.892","0.002","73.265","0.002","79.327","0.002","5511.1","0.3","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Co2 N28 S4 -","- C84 H72 Co2 N28 S4 -","- C168 H144 Co4 N56 S8 -","2","1","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.2223","0.1356","","","0.3066","0.3684","","","","","","1.039","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558322","24.756","0.002","11.4713","0.0009","14.4235","0.0013","90","","100.226","0.004","90","","4031","0.6","298","2","298.32","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sql-1,3-Co-NCS.2MX","","","- C40 H36 Co N10 S2 -","- C40 H36 Co N10 S2 -","- C160 H144 Co4 N40 S8 -","4","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0678","0.0557","","","0.1084","0.1118","","","","","","1.188","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558323","21.7573","0.0004","21.7573","0.0004","20.5483","0.0005","90","","90","","90","","9727.2","0.3","150","2","150.15","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C42 H36 Co N14 S2 -","- C42 H36 Co N14 S2 -","- C336 H288 Co8 N112 S16 -","8","1","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.1583","0.1192","","","0.2673","0.2908","","","","","","1.066","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558324","20.881","0.0011","14.7201","0.0009","8.7578","0.0005","90","","90","","90","","2691.9","0.3","300","2","300.13","","","","","","","","","5","C m c e","-C 2ac 2","64","sql-3-Co-NCS","","","- C26 H16 Co N14 S2 -","- C26 H16 Co N14 S2 -","- C104 H64 Co4 N56 S8 -","4","0.25","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0788","0.0519","","","0.1278","0.1458","","","","","","1.069","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558325","24.8225","0.0012","11.4779","0.0005","14.301","0.0007","90","","100.423","0.003","90","","4007.3","0.3","301","2","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sql-1,3-Co-NCS.2PX","","","- C40 H36 Co N10 S2 -","- C40 H36 Co N10 S2 -","- C160 H144 Co4 N40 S8 -","4","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0819","0.0562","","","0.1318","0.1458","","","","","","1.038","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558326","10.1782","0.0006","10.3488","0.0005","16.3633","0.0011","82.027","0.003","74.303","0.004","82.556","0.003","1635.59","0.17","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H55 Ir N2 P2 -","- C32 H55 Ir N2 P2 -","- C64 H110 Ir2 N4 P4 -","2","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0671","0.0484","","","0.0989","0.1081","","","","","","0.988","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558327","10.1805","0.0007","22.3462","0.0015","31.76","0.002","90","","90","","90","","7225.3","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Ir N2 P2 -","- C38 H55 Ir N2 P2 -","- C304 H440 Ir8 N16 P16 -","8","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0534","0.0335","","","0.0609","0.068","","","","","","1.076","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558333","11.1116","0.0016","22.132","0.003","16.382","0.002","90","","105.947","0.005","90","","3873.7","0.9","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 B N8 O3 Zn -","- C42 H40 B N8 O3 Zn -","- C168 H160 B4 N32 O12 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0836","0.0543","","","0.1275","0.1428","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558334","19.2031","0.0017","17.4413","0.0016","10.8662","0.001","90","","103.602","0.003","90","","3537.3","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B N10 O2 Zn -","- C39 H33 B N10 O2 Zn -","- C156 H132 B4 N40 O8 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0622","0.0421","","","0.0958","0.1038","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558335","11.951","0.007","12.222","0.007","33.4","0.02","96.044","0.011","90.661","0.01","117.154","0.013","4307","4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45 B N9 O2 Zn -","- C48 H45 B N9 O2 Zn -","- C192 H180 B4 N36 O8 Zn4 -","4","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.1049","0.0568","","","0.0986","0.1126","","","","","","1.026","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558336","22.1038","0.0007","18.2437","0.0006","20.8443","0.0007","90","","110.728","0.001","90","","7861.5","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H39 B N10 O3.5 Zn -","- C40.5 H39 B N10 O3.5 Zn -","- C324 H312 B8 N80 O28 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0881","0.0512","","","0.1021","0.1147","","","","","","1.022","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558337","11.652","0.004","12.368","0.004","13.917","0.004","92.104","0.006","105.552","0.004","103.261","0.009","1870.3","1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 B N9 O3 Zn -","- C40 H40 B N9 O3 Zn -","- C80 H80 B2 N18 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0379","0.0306","","","0.0722","0.0762","","","","","","1.046","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558338","21.265","0.002","12.2666","0.0012","26.802","0.003","90","","96.968","0.002","90","","6939.6","1.2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 B N12 O0.5 Zn -","- C38 H34 B N12 O0.5 Zn -","- C304 H272 B8 N96 O4 Zn8 -","8","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0629","0.0413","","","0.0827","0.0902","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558339","11.5454","0.0006","12.4466","0.0006","13.3968","0.0007","87.861","0.001","72.845","0.001","88.996","0.001","1838.16","0.16","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H38 B N9 O3 Zn -","- C39 H38 B N9 O3 Zn -","- C78 H76 B2 N18 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0455","0.0335","","","0.0711","0.0749","","","","","","1.062","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558340","11.7557","0.001","13.389","0.0016","16.6386","0.0011","67.385","0.004","74.545","0.002","89.452","0.004","2317.3","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H48 B N8 O2 Zn -","- C53 H48 B N8 O2 Zn -","- C106 H96 B2 N16 O4 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.036","0.0326","","","0.0869","0.0896","","","","","","1.055","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558341","14.29","0.003","16.009","0.004","20.236","0.005","111.296","0.006","101.338","0.004","94.752","0.004","4168.4","1.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H81 B2 N24 Zn2 -","- C91 H81 B2 N24 Zn2 -","- C182 H162 B4 N48 Zn4 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.043","0.0341","","","0.084","0.0896","","","","","","1.04","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558342","11.7747","0.0006","12.2627","0.0006","16.6658","0.0008","88.998","0.002","71.411","0.001","63.502","0.001","2019.03","0.17","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H41 B N8 O2 S Zn -","- C45 H41 B N8 O2 S Zn -","- C90 H82 B2 N16 O4 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0409","0.0313","","","0.0704","0.0742","","","","","","1.048","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558343","11.3437","0.0006","12.4724","0.0006","13.2663","0.0007","93.307","0.002","106.813","0.002","102.442","0.002","1740.01","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 B N9 O2 S Zn -","- C39 H32 B N9 O2 S Zn -","- C78 H64 B2 N18 O4 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0474","0.0337","","","0.07","0.0749","","","","","","1.015","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558344","11.767","0.003","13.044","0.003","14.552","0.004","110.451","0.004","94.891","0.005","107.004","0.004","1957","0.9","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 B N8 O3 S Zn -","- C39 H37 B N8 O3 S Zn -","- C78 H74 B2 N16 O6 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0868","0.0585","","","0.1461","0.1613","","","","","","1.033","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558345","11.3854","0.0009","12.2324","0.0009","12.9278","0.0011","95.296","0.002","103.872","0.002","100.76","0.002","1699.4","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B N11 S Zn -","- C38 H32 B N11 S Zn -","- C76 H64 B2 N22 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0681","0.0423","","","0.09","0.1013","","","","","","0.912","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558346","11.4626","0.0011","24.908","0.003","14.0421","0.0015","90","","92.074","0.004","90","","4006.5","0.8","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 B N11 S Zn -","- C44 H38 B N11 S Zn -","- C176 H152 B4 N44 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0549","0.0363","","","0.0743","0.0807","","","","","","1.019","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558347","13.2942","0.0013","16.9309","0.0019","18.117","0.002","90","","90.612","0.004","90","","4077.6","0.8","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 B N8 O2 S Zn -","- C45 H41 B N8 O2 S Zn -","- C180 H164 B4 N32 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0491","0.0332","","","0.0703","0.0764","","","","","","1.016","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558348","25.354","0.004","12.7294","0.0011","21.364","0.003","90","","99.223","0.005","90","","6805.9","1.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B N7 O2 S Zn -","- C38 H32 B N7 O2 S Zn -","- C304 H256 B8 N56 O16 S8 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0778","0.0404","","","0.0797","0.0914","","","","","","1.017","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558349","11.5071","0.0009","24.8201","0.0016","14.2983","0.001","90","","93.957","0.002","90","","4074","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B N9 O2 S Zn -","- C45 H38 B N9 O2 S Zn -","- C180 H152 B4 N36 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0381","0.0286","","","0.0637","0.0682","","","","","","1.029","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558350","11.529","0.003","12.532","0.003","13.17","0.003","92.476","0.009","108.327","0.009","103.041","0.008","1746.3","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B N9 O3 Zn -","- C39 H32 B N9 O2.963 Zn -","- C78 H64 B2 N18 O5.926 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0607","0.041","","","0.0784","0.0859","","","","","","1.016","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558351","18.2805","0.0012","24.6819","0.0016","17.9965","0.0011","90","","103.043","0.001","90","","7910.5","0.9","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 B N8 O2 S Zn -","- C44 H39 B N8 O2 S Zn -","- C352 H312 B8 N64 O16 S8 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0583","0.0386","","","0.0904","0.0988","","","","","","1.026","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558352","11.466","0.0005","12.2164","0.0005","12.9213","0.0005","95.393","0.001","104.423","0.001","100.415","0.001","1705.55","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B N11 O Zn -","- C38 H32 B N11 O Zn -","- C76 H64 B2 N22 O2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0362","0.0294","","","0.0704","0.0735","","","","","","1.044","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558353","11.8071","0.0005","20.2004","0.001","14.5401","0.0011","90","","95.99","0.002","90","","3449","0.3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B N7 O2 S Zn -","- C38 H32 B N7 O2 S Zn -","- C152 H128 B4 N28 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.028","0.0259","","","0.067","0.0683","","","","","","1.053","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558354","11.7292","0.0011","11.9654","0.0012","16.3974","0.0016","100.704","0.003","96.654","0.003","114.105","0.003","2016.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H41 B N8 O3 Zn -","- C45 H41 B N8 O3 Zn -","- C90 H82 B2 N16 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0334","0.0279","","","0.0701","0.0734","","","","","","0.997","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558355","15.5694","0.0012","14.5978","0.0011","17.7711","0.0014","90","","106.12","0.002","90","","3880.2","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H41 B N7 O3 Zn -","- C43.5 H41 B N7 O3 Zn -","- C174 H164 B4 N28 O12 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.057","0.0365","","","0.0832","0.0941","","","","","","1.007","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558356","11.902","0.002","13.512","0.003","15.071","0.002","65.558","0.005","87.822","0.005","87.374","0.008","2203.7","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 B N9 O2 Zn -","- C50 H46 B N9 O2 Zn -","- C100 H92 B2 N18 O4 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0622","0.0404","","","0.0839","0.0926","","","","","","1.033","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558357","11.93","0.002","13.078","0.002","14.235","0.003","107.583","0.006","93.055","0.006","106.031","0.006","2012.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H35 B N8 O4 Zn -","- C38 H34.98 B N8 O4 Zn -","- C76 H69.96 B2 N16 O8 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0474","0.0334","","","0.0731","0.0778","","","","","","1.037","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558358","14.5133","0.0007","16.3538","0.0007","22.1946","0.0008","87.79","0.003","79.14","0.004","67.556","0.005","4778.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H150 N12 O4 S4 -","- C98 H150 N12 O4 S4 -","- C196 H300 N24 O8 S8 -","2","1","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","1.54184","CuKα","","0.1645","0.0868","","","0.2423","0.3401","","","","","","1.139","","","","has coordinates","253259","2020-10-21","18:00:00",""
"1558359","32.333","0.008","32.042","0.008","22.621","0.005","90","","114.382","0.004","90","","21346","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C206 H324 N24 O10 S10 -","- C202 H312 N24 O8 S8 -","- C808 H1248 N96 O32 S32 -","4","0.5","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","0.71073","MoKα","","0.384","0.1359","","","0.3209","0.4589","","","","","","0.953","","","","has coordinates,has disorder","253259","2020-10-21","18:00:00",""
"1558360","15.483","0.004","22.547","0.006","30.092","0.007","100.331","0.005","91.268","0.005","100.461","0.006","10147","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C195 H307 N24 O12 S10.5 -","- C195 H304 N24 O10.5 S10.5 -","- C390 H608 N48 O21 S21 -","2","1","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","0.71073","MoKα","","0.3255","0.1516","","","0.3601","0.4546","","","","","","1.162","","","","has coordinates,has disorder","253259","2020-10-21","18:00:00",""
"1558364","12.0597","0.0002","12.1028","0.0003","16.2479","0.0005","98.045","0.001","99.315","0.001","111.182","0.002","2130.75","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H52 B F10 Li N P -","- C43 H52 B F10 Li N P -","- C86 H104 B2 F20 Li2 N2 P2 -","2","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0994","0.073","","","0.1348","0.1524","","","","","","1.094","","","","has coordinates,has disorder","253281","2020-10-21","18:00:00",""
"1558365","11.386","0.0004","24.4438","0.0008","12.1411","0.0004","90","","95.579","0.001","90","","3363.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B F10 P Rh -","- C39 H33 B F10 P Rh -","- C156 H132 B4 F40 P4 Rh4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0483","0.0322","","","0.0642","0.0688","","","","","","1.05","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558366","12.4065","0.0002","20.2711","0.0004","18.1486","0.0004","90","","95.676","0.001","90","","4541.88","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 B F10 Li N P -","- C48 H52 B F10 Li N P -","- C192 H208 B4 F40 Li4 N4 P4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0635","0.0505","","","0.1267","0.1377","","","","","","1.043","","","","has coordinates,has disorder","253281","2020-10-21","18:00:00",""
"1558367","11.1535","0.0006","28.4831","0.0016","12.0712","0.0006","90","","100.231","0.002","90","","3773.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B F10 O2 P Rh -","- C39 H37 B F10 O2 P Rh -","- C156 H148 B4 F40 O8 P4 Rh4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0724","0.0482","","","0.1094","0.124","","","","","","1.022","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558368","10.4373","0.0003","11.5018","0.0003","20.052","0.0006","101.416","0.002","99.845","0.002","98.08","0.002","2286.61","0.12","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H27 B2 F20 P -","- C44 H27 B2 F20 P -","- C88 H54 B4 F40 P2 -","2","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","1.54178","CuKα","","0.061","0.0465","","","0.1086","0.1157","","","","","","1.022","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558369","11.0013","0.0005","13.0591","0.0005","28.8517","0.0013","102.805","0.001","92.594","0.002","105.065","0.001","3879.7","0.3","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 B F10 Ir P -","- C40 H37 B F10 Ir P -","- C160 H148 B4 F40 Ir4 P4 -","4","2","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0464","0.0333","","","0.0685","0.0726","","","","","","1.038","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558370","18.504","0.0003","17.9348","0.0003","19.6933","0.0007","90","","108.694","0.002","90","","6190.7","0.3","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H28 B2 Br2 N2 -","- C36 H28 B2 Br2 N2 -","- C288 H224 B16 Br16 N16 -","8","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54178","CuKα","","0.0871","0.073","","","0.2095","0.2527","","","","","","1.208","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558371","32.9585","0.0003","32.9585","0.0003","9.9663","0.0002","90","","90","","120","","9375.6","0.2","173","2","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H60 B2 Br2 N2 -","- C36 H60 B2 Br2 N2 -","- C324 H540 B18 Br18 N18 -","9","0.5","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","","1.54184","CuKα","","0.0604","0.0559","","","0.1635","0.1691","","","","","","1.051","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558372","13.4204","0.0006","13.4075","0.0004","13.5682","0.0005","90","","118.076","0.005","90","","2154.09","0.17","173","2","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 B Br N -","- C24 H26 B Br N -","- C96 H104 B4 Br4 N4 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0534","0.0403","","","0.1001","0.1161","","","","","","1.044","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558373","11.7577","0.0004","13.9324","0.0004","18.6526","0.0005","102.637","0.002","99.834","0.002","105.896","0.003","2779.5","0.16","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C57.5 H90 B2 N4 -","- C57.5 H90 B2 N4 -","- C115 H180 B4 N8 -","2","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0845","0.0595","","","0.1426","0.1519","","","","","","1.041","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558374","11.75034","0.00011","23.8044","0.0003","19.95734","0.00018","90","","98.1553","0.0009","90","","5525.81","0.1","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H78 B2 N4 -","- C66 H78 B2 N4 -","- C264 H312 B8 N16 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0568","0.044","","","0.1119","0.1211","","","","","","1.019","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558375","11.2493","0.0003","26.0979","0.0007","13.6593","0.0004","90","","109.818","0.003","90","","3772.64","0.19","172.98","0.1","172.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H46 B2 N4 -","- C47 H46 B2 N4 -","- C188 H184 B8 N16 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","0.71","MoKα","","0.0681","0.0451","","","0.1068","0.1224","","","","","","1.026","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558376","9.0716","0.001","9.8412","0.0013","11.5149","0.0012","76.803","0.01","82.173","0.009","68.411","0.011","929.1","0.2","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 B2 N2 O4 -","- C38 H58 B2 N2 O4 -","- C38 H58 B2 N2 O4 -","1","0.5","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.1119","0.0803","","","0.1902","0.2121","","","","","","1.079","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558377","11.4985","0.0003","13.7129","0.0005","24.4365","0.0007","90","","90","","90","","3853.1","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 O4 Si -","- C41 H56 O4 Si -","- C164 H224 O16 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0839","0.0484","","","0.0855","0.0967","","","","","","0.961","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558378","10.7809","0.0007","12.9537","0.001","23.2649","0.0018","90","","90","","90","","3249","0.4","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 O3 Si -","- C36 H47 O3 Si -","- C144 H188 O12 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0929","0.0681","","","0.1419","0.1623","","","","","","1.016","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558388","9.5765","0.0002","12.9092","0.0003","21.0501","0.0005","90","","100.084","0.002","90","","2562.12","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N2 O3 P Ru -","- C25 H39 N2 O3 P Ru -","- C100 H156 N8 O12 P4 Ru4 -","4","1","","Zou, You-Quan; Zhou, Quan-Quan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of oxalamides by acceptorless dehydrogenative coupling of ethylene glycol and amines and the reverse hydrogenation catalyzed by ruthenium","Chemical Science","2020","","","","","10.1039/D0SC02065F","","","0.71073","MoKα","","0.0435","0.0368","","","0.084","0.0858","","","","","","1.103","","","","has coordinates","253341","2020-10-21","18:00:00",""
"1558389","10.206","0.0004","11.8825","0.0005","12.7337","0.0005","90","","90","","90","","1544.25","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-(2-hydroxy-3-phenoxypropyl)phenyl)acetamide","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Thombal, Raju S.; Feoktistova, Taisiia; González-Montiel, Gisela A.; Cheong, Paul H.-Y.; Lee, Yong Rok","Palladium-catalyzed synthesis of β-hydroxy compounds via a strained 6,4-palladacycle from directed C‒H activation of anilines and C‒O insertion of epoxides","Chemical Science","2020","11","27","7260","7265","10.1039/D0SC01462A","","","0.71073","MoKα","","0.0585","0.0413","","","0.1085","0.1283","","","","","","1.128","","","","has coordinates","257297","2020-10-21","18:00:00",""
"1558390","9.0185","0.0002","11.1498","0.0002","13.696","0.0003","84.062","0.001","89.316","0.001","81.541","0.001","1354.9","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H76 F2 S2 Si2 -","- C60 H76 F2 S2 Si2 -","- C60 H76 F2 S2 Si2 -","1","0.5","","Pace, Natalie; Rugg, Brandon K.; Chang, Christopher H.; Reid, Obadiah; Thorley, Karl J.; Parkin, Sean R.; Anthony, John E.; Johnson, Justin C.","Conversion between Triplet Pair States is Controlled by Molecular Coupling in Pentadithiophene Thin Films","Chemical Science","2020","","","","","10.1039/D0SC02497J","","","1.54178","CuKα","","0.1007","0.0833","","","0.2428","0.2655","","","","","","1.08","","","","has coordinates,has disorder","253343","2020-10-21","18:00:00",""
"1558391","44.36","0.002","8.4599","0.0005","17.8448","0.0008","90","","102.684","0.0017","90","","6533.4","0.6","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H94 S2 Si4 -","- C66 H94 S2 Si4 -","- C264 H376 S8 Si16 -","4","0.5","","Pace, Natalie; Rugg, Brandon K.; Chang, Christopher H.; Reid, Obadiah; Thorley, Karl J.; Parkin, Sean R.; Anthony, John E.; Johnson, Justin C.","Conversion between Triplet Pair States is Controlled by Molecular Coupling in Pentadithiophene Thin Films","Chemical Science","2020","","","","","10.1039/D0SC02497J","","","0.71073","MoKα","","0.1077","0.0551","","","0.1346","0.1518","","","","","","1.049","","","","has coordinates,has disorder","253343","2020-10-21","18:00:00",""
"1558392","8.1025","0.0001","6.6401","0.0001","11.7134","0.0001","90","","102.405","0.001","90","","615.485","0.013","93.15","","93.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0706","0.0709","","","","","","1.07","","","","has coordinates","257298","2020-10-21","18:00:00",""
"1558393","12.4535","0.0002","6.5482","0.0001","15.9054","0.0003","90","","105.099","0.002","90","","1252.28","0.04","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0434","0.0375","","","0.0924","0.0942","","","","","","1.058","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558397","7.5364","0.0003","8.1598","0.0003","14.6308","0.0006","74.8246","0.0015","86.9207","0.0015","83.589","0.0014","862.64","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 F6 I N O3 -","- C17 H10 F6 I N O3 -","- C34 H20 F12 I2 N2 O6 -","2","1","","Ding, Wei; Wang, Chen; Tan, Jie Ren; Ho, Chang Chin; León, Felix; Garcia, Felipe; Yoshikai, Naohiko","Site-selective aromatic C‒H λ3-iodanation with cyclic iodine(III) electrophile in solution and solid phases","Chemical Science","2020","","","","","10.1039/D0SC02737E","","","0.71073","MoKα","","0.0633","0.0439","","","0.0714","0.0791","","","","","","1.05","","","","has coordinates","253384","2020-10-21","18:00:00",""
"1558398","6.0356","0.0004","10.8751","0.0009","10.5262","0.0007","90","","97.925","0.003","90","","684.32","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Inanaga, Kazato; Wollenburg, Marco; Bachman, Shoshana; Hafeman, Nicholas; Stoltz, Brian M.","Catalytic Enantioselective Synthesis of Carbocyclic and Heterocyclic Spiranes via a Decarboxylative Aldol Cyclization","Chemical Science","2020","","","","","10.1039/D0SC02366C","","","1.54178","CuKα","","0.0292","0.0287","","","0.073","0.0736","","","","","","1.085","","","","has coordinates","253385","2020-10-21","18:00:00",""
"1558399","6.8455","0.0009","6.8455","0.0009","21.807","0.005","90","","90","","120","","885","0.3","293","2","293","2","","","","","","","","4","P 65","P 65","170","Y(IO3)2F","Y(IO3)2F","","- F I2 O6 Y -","- F I2 O6 Y -","- F6 I12 O36 Y6 -","6","1","","Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bing-Xuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning","Helix-constructed Polar Rare-earth Iodate Fluoride as Laser Nonlinear Optical Multifunctional Materials","Chemical Science","2020","","","","","10.1039/D0SC02789H","","","0.71073","MoKα","","0.0515","0.0503","","","0.1078","0.1084","","","","","","1.108","","","","has coordinates","253386","2020-10-21","18:00:00",""
"1558400","5.2753","0.0002","8.2287","0.0002","45.0822","0.0011","90","","90","","90","","1956.97","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","0.71073","MoKα","","0.0558","0.0407","","","0.0812","0.0862","","","","","","1.037","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558401","5.3349","0.0002","8.0996","0.0004","58.179","0.002","90","","90","","90","","2513.95","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 N O2 -","- C33 H23 N O2 -","- C132 H92 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","1.54184","CuKα","","0.1384","0.0755","","","0.1678","0.2048","","","","","","0.997","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558415","13.3697","0.0003","13.3697","0.0003","23.8975","0.0008","90","","90","","90","","4271.7","0.2","99.99","0.13","99.99","0.13","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Sn -","- C24 H8 F12 Sn -","- C192 H64 F96 Sn8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0275","0.0247","","","0.0713","0.0731","","","","","","1.109","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558416","14.40851","0.00016","14.40851","0.00016","20.9644","0.0004","90","","90","","90","","4352.32","0.11","100","0.11","100","0.11","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Ge -","- C24 H8 F12 Ge -","- C192 H64 F96 Ge8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.032","0.0274","","","0.0655","0.0676","","","","","","1.085","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558417","7.11145","0.0001","14.5572","0.0002","16.9641","0.0002","98.5536","0.0012","93.9179","0.0011","102.025","0.0012","1689.55","0.04","140.01","0.1","140.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C72 H24 F36 Sb4 -","4","2","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0246","0.02","","","0.0472","0.0495","","","","","","1.031","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558418","5.84981","0.00012","15.5147","0.0004","14.8525","0.0003","90","","90.681","0.002","90","","1347.89","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 O3 -","- C14 H26 O3 -","- C56 H104 O12 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","1.54184","CuKα","","0.035","0.0325","","","0.0797","0.0812","","","","","","1.043","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558419","7.16588","0.00007","14.61823","0.00016","17.01631","0.00016","98.5736","0.0008","94.0812","0.0008","102.497","0.0008","1710.92","0.03","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 Bi F9 -","- C18 H6 Bi F9 -","- C72 H24 Bi4 F36 -","4","2","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0576","0.0314","","","0.0497","0.0535","","","","","","1.051","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558420","10.37807","0.00018","18.8151","0.0003","15.5321","0.0002","90","","103.434","0.0016","90","","2949.88","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H2 Cl6 F15 O2 Sb -","- C25 H2 Cl6 F15 O2 Sb -","- C100 H8 Cl24 F60 O8 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0603","0.0499","","","0.1319","0.1409","","","","","","1.044","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558421","4.6572","0.0001","11.8323","0.0003","15.386","0.0003","102.271","0.002","90.684","0.002","100.761","0.002","812.73","0.03","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C36 H12 F18 Sb2 -","2","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","1.54184","CuKα","","0.0325","0.0308","","","0.0851","0.0857","","","","","","1.184","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558422","5.9325","0.0001","20.3604","0.0002","14.9916","0.0002","90","","92.882","0.001","90","","1808.52","0.04","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 F15 Sb -","- C18 F15 Sb -","- C72 F60 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0257","0.022","","","0.046","0.0475","","","","","","1.126","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558423","10.2444","0.0002","17.0576","0.0003","9.5358","0.0001","90","","90","","90","","1666.33","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C72 H24 F36 Sb4 -","4","0.5","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0212","0.0191","","","0.0486","0.0495","","","","","","1.053","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558424","11.428","0.0002","14.4693","0.0002","17.6698","0.0002","103.096","0.001","97.1","0.001","102.831","0.001","2727.81","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H14 Cl10 F18 O4 Sb2 -","- C49 H14 Cl10 F18 O4 Sb2 -","- C98 H28 Cl20 F36 O8 Sb4 -","2","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0389","0.0305","","","0.0821","0.0856","","","","","","1.06","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558425","9.96666","0.00013","16.7568","0.0002","17.1842","0.0002","90","","102.174","0.0013","90","","2805.38","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 Cl6 F9 O2 Sb -","- C25 H8 Cl6 F9 O2 Sb -","- C100 H32 Cl24 F36 O8 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0302","0.0245","","","0.0553","0.0581","","","","","","1.043","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558426","11.0876","0.0003","20.5912","0.0004","19.1254","0.0004","90","","96.758","0.002","90","","4336.12","0.17","150","","150","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C34 H20 -","- C34 H20 -","- C272 H160 -","8","2","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.0534","0.0505","","","0.1342","0.1392","","","","","","1.023","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558427","7.8468","0.0006","23.408","0.002","11.3681","0.0009","90","","90","","90","","2088.1","0.3","292.2","0.5","292.2","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.092","0.082","","","0.2225","0.23","","","","","","1.144","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558450","22.2838","0.0007","27.0021","0.0009","29.9657","0.0006","87.829","0.002","86.244","0.002","70.024","0.003","16907.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C408 H400 N48 O64 Pd8 -","- C408 H400 N48 O64 Pd8 -","- C408 H400 N48 O64 Pd8 -","1","0.5","","He, Lizhen; Cai, Li-Xuan; Li, Meng-Hua; Zhang, Guanglu; Zhou, Lipeng; Chen, Tianfeng; Lin, Mei-Jin; Sun, Qing-Fu","Designing Highly Stable Coordination-Driven Metallacycle for Imaging-Guided Photodynamic Cancer Theranostics","Chemical Science","2020","","","","","10.1039/D0SC02236E","","","1.54184","CuKα","","0.1726","0.1135","","","0.2907","0.3556","","","","","","0.981","","","","has coordinates","253585","2020-10-21","18:00:00",""
"1558451","7.2134","0.0002","12.0436","0.0003","13.6068","0.0004","113.303","0.003","94.23","0.002","100.284","0.002","1054.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Au Br4 N2 -","- C20 H13 Au Br4 N2 -","- C40 H26 Au2 Br8 N4 -","2","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.0527","0.0408","","","0.1062","0.1132","","","","","","1.035","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558452","6.987","0.005","13.924","0.01","21.312","0.015","85.099","0.015","86.731","0.015","81.161","0.015","2039","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.66 H13.5 Ag B Cl1.5 F4 N2 -","- C20.658 H13.5 Ag B Cl1.5 F4 N2 -","- C82.632 H54 Ag4 B4 Cl6 F16 N8 -","4","2","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","","0.71073","MoKα","","0.1252","0.0832","","","0.1778","0.2086","","","","","","1.042","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558453","6.943","0.0004","14.1421","0.0009","21.3969","0.0014","85.536","0.002","86.97","0.002","78.487","0.002","2050.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.64 H13.44 Au B Cl1.44 F4 N2 -","- C20.6396 H13.44 Au1.00015 B Cl1.44 F4 N2 -","- C82.5584 H53.76 Au4.0006 B4 Cl5.76 F16 N8 -","4","2","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","","0.71073","MoKα","","0.051","0.0342","","","0.0789","0.085","","","","","","1.056","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558454","18.2569","0.0017","25.817","0.002","27.739","0.003","90","","90","","90","","13074","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H36 B F24 N4 Na -","- C72 H36 B F24 N4 Na -","- C576 H288 B8 F192 N32 Na8 -","8","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.145","0.1096","","","0.2315","0.25","","","","","","1.156","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558455","7.0108","0.0004","14.2732","0.0008","21.1647","0.0012","86.903","0.001","87.804","0.001","77.898","0.001","2067","0.2","100","2","99.97","","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H27 B2 Cl3 F8 I2 N4 -","- C41.5004 H27 B2 Cl3 F8 I1.9998 N4 -","- C83.0008 H54 B4 Cl6 F16 I3.9996 N8 -","2","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.056","0.0451","","","0.1165","0.1235","","","","","","1.039","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558463","11.3691","0.0001","13.8088","0.0001","12.4633","0.0001","90","","95.417","0.001","90","","1947.92","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 F3 N2 O2 -","- C22 H27 F3 N2 O2 -","- C88 H108 F12 N8 O8 -","4","1","","Jermaks, Janis; Quach, Phong; Seibel, Zara M.; Pomarole, Julien; Lambert, Tristan","Ring-Opening Carbonyl-Olefin Metathesis of Norbornenes","Chemical Science","2020","","","","","10.1039/D0SC02243H","","x-ray","1.54184","CuKα","","0.0396","0.0386","","","0.0988","0.0996","","","","","","1.034","","","","has coordinates","253645","2020-10-21","18:00:00",""
"1558464","5.6436","0.0001","36.318","0.0005","6.6768","0.0001","90","","107.69","0.002","90","","1303.79","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F O2 -","- C16 H14 F O2 -","- C64 H56 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0621","0.06","","","0.1248","0.1258","","","","","","1.046","","","","has coordinates,has disorder","253646","2020-10-21","18:00:00",""
"1558465","11.3547","0.0002","17.4727","0.0004","14.737","0.0002","90","","99.889","0.002","90","","2880.34","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 B N3 O2 P -","- C28 H47 B N3 O2 P -","- C112 H188 B4 N12 O8 P4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0528","0.0466","","","0.1124","0.1165","","","","","","1.012","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558466","23.0271","0.0003","5.7175","0.0001","20.879","0.0004","90","","90","","90","","2748.88","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0596","0.0565","","","0.1278","0.1298","","","","","","1.079","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558467","7.157","0.0002","7.4823","0.0002","11.605","0.0004","90","","90.91","0.003","90","","621.38","0.03","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","0.71073","MoKα","","0.0392","0.0371","","","0.0902","0.0918","","","","","","1.037","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558475","10.7032","0.0005","6.6627","0.0003","16.9382","0.0008","90","","92.303","0.002","90","","1206.92","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0525","0.0401","","","0.0967","0.1027","","","","","","1.046","","","","has coordinates,has disorder","253683","2020-10-21","18:00:00",""
"1558476","25.6129","0.0011","7.265","0.0003","7.5367","0.0003","90","","90","","90","","1402.41","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0298","0.0278","","","0.0735","0.0748","","","","","","1.032","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558477","7.7842","0.0005","9.7899","0.0006","10.0423","0.0006","81.677","0.002","82.193","0.002","67.584","0.002","697.29","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0645","0.044","","","0.1003","0.1111","","","","","","1.029","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558478","21.357","0.0009","6.819","0.0003","20.0691","0.0008","90","","115.008","0.001","90","","2648.72","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C120 H96 Cl8 N8 O24 -","8","2","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0669","0.0426","","","0.0909","0.1019","","","","","","1.017","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558479","17.4699","0.0012","6.8917","0.0005","22.137","0.002","90","","103.57","0.0016","90","","2590.8","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 Cl N O3 -","- C15 H11 Cl N O3 -","- C120 H88 Cl8 N8 O24 -","8","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0557","0.0524","","","0.1264","0.1277","","","","","","1.301","","","","has coordinates,has disorder","253683","2020-10-21","18:00:00",""
"1558480","9.8726","0.0005","10.9075","0.0005","12.7229","0.0006","90","","90","","90","","1370.07","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C64 H56 Cl4 N4 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0309","0.0272","","","0.0636","0.0655","","","","","","1.029","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558481","16.5707","0.0018","16.9084","0.0019","21.231","0.002","105.174","0.004","96.576","0.004","109.461","0.004","5278.5","1","232","2","232","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H157 Cl Ir N2 Si7 -","- C101 H157 Cl Ir N2 Si7 -","- C202 H314 Cl2 Ir2 N4 Si14 -","2","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0797","0.0491","","","0.1193","0.134","","","","","","1.009","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558482","14.9387","0.0008","17.6518","0.0009","21.0713","0.0011","102.165","0.003","92.721","0.003","108.26","0.003","5119.4","0.5","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H154 Cl N2 O Rh Si7 -","- C105 H154 Cl N2 O Rh Si7 -","- C210 H308 Cl2 N4 O2 Rh2 Si14 -","2","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0847","0.0487","","","0.1049","0.1199","","","","","","1.017","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558483","15.7798","0.0019","26.095","0.003","27.363","0.004","104.327","0.006","106.15","0.006","90.156","0.006","10455","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H157 Cl Ir N2 Si6 Sn -","- C101 H157 Cl Ir N2 Si6 Sn -","- C404 H628 Cl4 Ir4 N8 Si24 Sn4 -","4","2","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.1945","0.1685","","","0.3641","0.3704","","","","","","2.47","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558484","37.608","0.004","13.6961","0.0014","18.1426","0.0019","90","","90","","90","","9344.9","1.7","142","2","142","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C92 H138 Cl N2 O2 Rh Si7 -","- C92 H138 Cl N2 O2 Rh Si7 -","- C368 H552 Cl4 N8 O8 Rh4 Si28 -","4","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0566","0.0408","","","0.076","0.0807","","","","","","1.008","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558485","29.9006","0.0013","22.525","0.0008","32.5302","0.0012","90","","103.5","0.002","90","","21304.1","1.4","202","2","202","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H164 Cl Ge N2 Rh Si6 -","- C104 H164 Cl Ge N2 Rh Si6 -","- C832 H1312 Cl8 Ge8 N16 Rh8 Si48 -","8","2","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.1527","0.0639","","","0.1422","0.1768","","","","","","1.024","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558486","15.7711","0.0004","31.3736","0.0008","21.3327","0.0006","90","","106.081","0.002","90","","10142.3","0.5","152","2","152","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C101 H157 Cl Ge Ir N2 Si6 -","- C101 H157 Cl Ge Ir N2 Si6 -","- C404 H628 Cl4 Ge4 Ir4 N8 Si24 -","4","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0437","0.0332","","","0.0676","0.0711","","","","","","1.144","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558507","8.6917","0.0002","15.6895","0.0005","17.8706","0.0006","90","","101.494","0.002","90","","2388.11","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl N7 O -","- C24 H26 Cl N7 O -","- C96 H104 Cl4 N28 O4 -","4","1","","Hussain, MD. Waseem; Bhardwaj, Vipin; Giri, Arkaprabha; Chande, Ajit; Patra, Abhijit","Multifunctional ionic porous frameworks for CO2 conversion and combating microbes","Chemical Science","2020","11","30","7910","7920","10.1039/D0SC01658F","","","0.71073","MoKα","","0.1177","0.0677","","","0.1662","0.1939","","","","","","1.069","","","","has coordinates","257374","2020-10-21","18:00:00",""
"1558508","12.389","0.0005","12.5456","0.0004","7.5297","0.0003","90","","99.928","0.004","90","","1152.8","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Butyl-2-hydroxy-1-naphthaldehyde","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Wu, An; Qian, Hui; Zhao, Wanxiang; Sun, Jianwei","Benzannulation of Isobenzopyryliums with Electron-Rich Alkynes: A Modular Access to β-Functionalized Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02502J","","x-ray","0.71073","MoKα","","0.0634","0.0434","","","0.1029","0.1124","","","","","","1.003","","","","has coordinates","254040","2020-10-21","18:00:00",""
"1558509","7.37471","0.00014","19.0645","0.0003","9.32895","0.00018","90","","111.872","0.002","90","","1217.19","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Butyl-7-fluoro-2-hydroxy-1-naphthaldehyde","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","","Wu, An; Qian, Hui; Zhao, Wanxiang; Sun, Jianwei","Benzannulation of Isobenzopyryliums with Electron-Rich Alkynes: A Modular Access to β-Functionalized Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02502J","","x-ray","1.54184","CuKα","","0.0325","0.0307","","","0.0798","0.0814","","","","","","1.001","","","","has coordinates","254040","2020-10-21","18:00:00",""
"1558510","6.0977","0.0004","8.3134","0.0006","18.1062","0.0012","90","","97.792","0.002","90","","909.38","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 O2 P -","- C22 H21 O2 P -","- C44 H42 O4 P2 -","2","1","","Yang, Zhiping; Gu, Xiaodong; Han, Li-Biao; Wang, Jun (Joelle)","Palladium-catalyzed asymmetric hydrophosphorylation of alkynes: facile access to P-stereogenic phosphinates","Chemical Science","2020","11","28","7451","7455","10.1039/D0SC01049A","","x-ray","0.71073","MoKα","","0.0556","0.0517","","","0.1306","0.1334","","","","","","1.077","","","","has coordinates","257283","2020-10-21","18:00:00",""
"1558511","11.7351","0.0011","15.9629","0.0019","21.44","0.003","90","","90","","90","","4016.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 B F4 Te -","- C19 H25 B F4 Te -","- C152 H200 B8 F32 Te8 -","8","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","x-ray","0.71073","MoKα","","0.0823","0.0669","","","0.168","0.1889","","","","","","1.075","","","","has coordinates,has disorder","254042","2020-10-21","18:00:00",""
"1558512","12.377","0.0014","11.7628","0.0014","13.8733","0.0017","90","","115.705","0.004","90","","1819.9","0.4","110","2","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pentafluorophenyl mesityl methyl telluronium tetrafluoroborate","","- C16 H14 B F9 Te -","- C16 H14 B F9 Te -","- C64 H56 B4 F36 Te4 -","4","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","","0.71073","MoKα","","0.0324","0.0256","","","0.0569","0.0623","","","","","","1.118","","","","has coordinates","254042","2020-10-21","18:00:00",""
"1558513","8.5716","0.0003","7.433","0.0002","25.0537","0.0008","90","","97.146","0.001","90","","1583.84","0.09","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H3 B F14 Te -","- C13 H3 B F14 Te -","- C52 H12 B4 F56 Te4 -","4","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","","0.71073","MoKα","","0.0369","0.0248","","","0.046","0.0507","","","","","","1.102","","","","has coordinates","254042","2020-10-21","18:00:00",""
"1558529","12.865","0.0004","16.2889","0.0005","20.1106","0.0006","111.308","0.001","101.254","0.001","90.736","0.001","3834.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MFF-4","","","- C144 H150 Cu4 N14 O74 -","- C144 H150 Cu4 N14 O74 -","- C144 H150 Cu4 N14 O74 -","1","0.5","","Leonhardt, Viktoria; Fimmel, Stefanie; Krause, Ana-Maria; Beuerle, Florian","A Covalent Organic Cage Compound Acting as a Supramolecular Shadow Mask for the Regioselective Functionalization of C60","Chemical Science","2020","","","","","10.1039/D0SC03131C","","","1.54178","CuKα","","0.0812","0.0649","","","0.1916","0.2064","","","","","","1.029","","","","has coordinates,has disorder","254095","2020-10-21","18:00:00",""
"1558530","29.1214","0.0007","10.5552","0.0002","17.3216","0.0004","90","","104.072","0.001","90","","5164.6","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 B F2 N O2 S -","- C27 H34 B F2 N O2 S -","- C216 H272 B8 F16 N8 O16 S8 -","8","1","","Shen, Feng; Lv, Long; Shen, Qilong","Electrophilic Fluoroalkylthiolation Induced Diastereoselective and Stereospecific 1,2-Metalate Migration of Alkenylboronate Complexes","Chemical Science","2020","","","","","10.1039/D0SC03039B","","","0.71073","MoKα","","0.0631","0.046","","","0.1292","0.1459","","","","","","1.03","","","","has coordinates","254096","2020-10-21","18:00:00",""
"1558531","9.726","0.0002","11.7737","0.0003","13.0343","0.0003","90","","90","","90","","1492.57","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Zhang, Lin; Yamazaki, Ken; Leitch, Jamie A.; Manzano, Ruben; Atkinson, Victoria A. M.; Hamlin, Trevor A.; Dixon, Darren J.","Dual catalytic enantioselective desymmetrization of allene-tethered cyclohexanones","Chemical Science","2020","","","","","10.1039/D0SC02878A","","","1.54184","CuKα","","0.0328","0.0301","","0.0759","0.0728","0.0755","","","","","","0.9981","","","","has coordinates","254097","2020-10-21","18:00:00",""
"1558532","19.855","0.003","5.7928","0.0007","16.427","0.002","90","","105.359","0.013","90","","1821.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 S -","- C22 H20 O3 S -","- C88 H80 O12 S4 -","4","1","","Zhang, Xueying; Zhang, Zhansong; Song, Jin-Na; Wang, Zikun","Reductive radical-initiated 1,2-C migration assisted by azidyl group","Chemical Science","2020","","","","","10.1039/D0SC02559C","","","0.71073","MoKα","","0.0872","0.0491","","","0.0978","0.1139","","","","","","1.018","","","","has coordinates","254098","2020-10-21","18:00:00",""
"1558533","9.2575","0.0007","9.6845","0.0007","10.1145","0.0008","79.903","0.006","84.497","0.007","80.659","0.006","878.8","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Zhang, Xueying; Zhang, Zhansong; Song, Jin-Na; Wang, Zikun","Reductive radical-initiated 1,2-C migration assisted by azidyl group","Chemical Science","2020","","","","","10.1039/D0SC02559C","","","0.71073","MoKα","","0.0731","0.0503","","","0.1134","0.1308","","","","","","1.017","","","","has coordinates","254098","2020-10-21","18:00:00",""
"1558541","10.8627","0.0003","12.5842","0.0004","22.6057","0.0007","90","","97.098","0.003","90","","3066.48","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Al N2 O -","- C33 H47 Al N2 O -","- C132 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0754","0.0509","","","0.1135","0.1259","","","","","","1.029","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558542","16.5281","0.0006","12.2177","0.0005","15.9821","0.0006","90","","90","","90","","3227.4","0.2","173.05","0.1","173.05","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H49 Al N2 O -","- C35 H49 Al N2 O -","- C140 H196 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1023","0.1074","","","","","","1.032","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558543","16.1355","0.0005","12.4185","0.0004","15.8598","0.0005","90","","90","","90","","3177.97","0.17","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H47 Al N2 O -","- C34 H47 Al N2 O -","- C136 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0549","0.0444","","","0.0989","0.1056","","","","","","1.029","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558544","10.9108","0.0002","12.4443","0.0002","22.7523","0.0004","90","","99.2427","0.0019","90","","3049.14","0.09","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Al N2 O -","- C33 H45 Al N2 O -","- C132 H180 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","1.54184","CuKα","","0.0652","0.045","","","0.1078","0.1216","","","","","","1.017","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558545","13.6025","0.0008","17.2522","0.001","17.7358","0.0009","108.504","0.005","93.588","0.005","112.988","0.006","3549.6","0.4","173","0.14","173","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C75 H110 Al2 N4 O4 -","- C75 H110 Al2 N4 O4 -","- C150 H220 Al4 N8 O8 -","2","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.1127","0.0705","","","0.1668","0.1886","","","","","","1.046","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558546","14.319","0.0004","9.8459","0.0003","23.113","0.0007","90","","98.845","0.003","90","","3219.8","0.17","173","0.14","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 Al N2 O -","- C34 H49 Al N2 O -","- C136 H196 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.069","0.0466","","","0.1065","0.1186","","","","","","1.018","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558547","18.62","0.004","8.9532","0.0003","32.557","0.007","90","","144.73","0.05","90","","3134","4","173","0.14","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 Al N2 O -","- C34 H47 Al N2 O -","- C136 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","1.54184","CuKα","","0.0866","0.0494","","","0.1068","0.1196","","","","","","0.967","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558552","8.9401","0.0001","10.3433","0.0001","9.3915","0.0001","90","","103.451","0.001","90","","844.611","0.016","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0257","0.0257","","","0.0666","0.0666","","","","","","1.068","","","","has coordinates","254162","2020-10-21","18:00:00",""
"1558553","7.17307","0.00003","9.46902","0.00005","36.9162","0.0002","90","","90","","90","","2507.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0314","0.0311","","","0.0804","0.0806","","","","","","1.058","","","","has coordinates,has disorder","254162","2020-10-21","18:00:00",""
"1558554","12.273","0.0001","13.8593","0.0001","19.0331","0.0002","90","","103.984","0.001","90","","3141.49","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.042","0.0392","","","0.104","0.1063","","","","","","1.045","","","","has coordinates","254162","2020-10-21","18:00:00",""
"1558555","17.815","0.0012","18.8153","0.0013","19.2663","0.0013","90","","90","","90","","6458","0.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H86 O16 S2 Si2 -","- C58 H86 O16 S2 Si2 -","- C232 H344 O64 S8 Si8 -","4","1","","Rose, John A.; Mahapatra, Subham; Li, Xin; Wang, Chao; Chen, Lei; Swick, Steven M.; Herzon, Seth B.","Synthesis of the bis(cyclohexenone) core of (−)-lomaiviticin A","Chemical Science","2020","","","","","10.1039/D0SC02770G","","","1.54178","CuKα","","0.0823","0.0711","","","0.2108","0.2205","","","","","","1.086","","","","has coordinates","254163","2020-10-21","18:00:00",""
"1558556","6.3096","0.0006","29.084","0.002","7.5539","0.0008","90","","91.45","0.009","90","","1385.8","0.2","133.15","","133.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O3 -","- C15 H14 N6 O3 -","- C60 H56 N24 O12 -","4","1","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","x-ray","0.71073","MoKα","","0.0816","0.0615","","","0.1544","0.1686","","","","","","1.13","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558557","19.9828","0.0007","12.5986","0.0005","14.2705","0.0005","90","","101.853","0.003","90","","3516.1","0.2","133.15","","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 I N6 O3 -","- C16 H17 I N6 O3 -","- C128 H136 I8 N48 O24 -","8","2","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","","0.71073","MoKα","","0.1083","0.1022","","","0.2203","0.2243","","","","","","1.198","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558584","9.423","0.002","40.326","0.008","10.692","0.002","90","0.03","107.3","0.03","90","0.03","3879.1","1.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 F6 O6 -","- C48 H30 F6 O6 -","- C192 H120 F24 O24 -","4","1","","Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori","Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors","Chemical Science","2020","","","","","10.1039/D0SC02836C","","","0.71073","MoKα","","0.1243","0.0522","","","0.0992","0.1219","","","","","","0.973","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558585","11.3765","0.0016","13.951","0.002","14.046","0.002","69.423","0.002","70.729","0.002","86.627","0.002","1966","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F6 O6 -","- C48 H30 F6 O6 -","- C96 H60 F12 O12 -","2","1","","Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori","Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors","Chemical Science","2020","","","","","10.1039/D0SC02836C","","","0.71073","MoKα","","0.0633","0.0558","","","0.1426","0.1467","","","","","","1.088","","","","has coordinates,has disorder","254260","2020-10-21","18:00:00",""
"1558586","16.087","0.003","25.358","0.005","21.354","0.004","90","0.03","90","0.03","90","0.03","8711","3","150","2","149.98","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tubular[4,8]arene","","- C53 H41.5 N4.5 O4 -","- C53 H41.5 N4.5 O4 -","- C424 H332 N36 O32 -","8","1","","Mirzaei, Saber; Castro, Edison; Hernández Sánchez, Raúl","Tubularenes","Chemical Science","2020","","","","","10.1039/D0SC03384G","","","1.54184","CuKα","","0.1829","0.0786","","","0.1911","0.2527","","","","","","0.957","","","","has coordinates,has disorder","254294","2020-10-21","18:00:00",""
"1558590","15.7031","0.0006","15.8728","0.0006","27.7808","0.001","83.548","0.001","76.381","0.001","62.29","0.001","5957.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H114 F12 N10 O33 Rh4 S4 -","- C104 H96 F9 N8 O27 Rh4 S3 -","- C208 H192 F18 N16 O54 Rh8 S6 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0957","0.0751","","","0.1934","0.2087","","","","","","1","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558591","29.994","0.002","14.8641","0.0008","33.736","0.002","90","","103.709","0.002","90","","14612.2","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C131 H146 F12 N16 O34 Rh4 S4 -","- C128 H112 F12 N16 O23 Rh4 S4 -","- C512 H448 F48 N64 O92 Rh16 S16 -","4","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0955","0.0635","","","0.1654","0.1886","","","","","","1.038","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558592","21.4001","0.0008","56.956","0.002","13.5367","0.0004","90","","90","","90","","16499.4","1","173","2","172.98","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C154 H182 F12 Ir4 N24 O33 S4 -","- C132 H126 F6 Ir4 N18 O17 S2 -","- C528 H504 F24 Ir16 N72 O68 S8 -","4","0.5","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0613","0.0528","","","0.1523","0.1604","","","","","","1.075","","","","has coordinates","254327","2020-10-21","18:00:00",""
"1558593","14.7048","0.0006","20.1231","0.0009","28.5603","0.0012","105.589","0.002","95.648","0.002","100.981","0.002","7890.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H163 F12 N16 O34 Rh4 S4 -","- C151 H127 F9 N16 O17 Rh4 S3 -","- C302 H254 F18 N32 O34 Rh8 S6 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.096","0.0668","","","0.182","0.2032","","","","","","1.035","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558594","30.1831","0.0013","15.0508","0.0008","33.4363","0.0015","90","","103.152","0.002","90","","14791","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C160 H184 F12 Ir4 N20 O26 S4 -","- C125 H112 F3 Ir4 N16 O11 S -","- C500 H448 F12 Ir16 N64 O44 S4 -","4","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0911","0.0706","","","0.21","0.2278","","","","","","1.035","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558595","36.05","0.002","39.906","0.002","43.383","0.002","90","","108.546","0.002","90","","59170","5","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C286 H393 Ag2 F18 N31 O58 Rh6 S6 -","- C227.5 H225.5 Ag2 F12 N28.5 O25.5 Rh6 S4 -","- C1820 H1804 Ag16 F96 N228 O204 Rh48 S32 -","8","2","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.1087","0.0987","","","0.2614","0.2672","","","","","","1.051","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558605","9.8861","0.0008","7.5065","0.0008","12.9438","0.001","90","","94.152","0.007","90","","958.04","0.15","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cr N2 O4 -","- C20 H24 Cr N2 O4 -","- C40 H48 Cr2 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0874","0.0536","","","0.0907","0.1092","","","","","","1.049","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558606","10.2476","0.0013","4.7011","0.0006","11.3501","0.0015","90","","92.163","0.012","90","","546.4","0.12","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cr O4 -","- C10 H14 Cr O4 -","- C20 H28 Cr2 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.1098","0.0615","","","0.0948","0.112","","","","","","1.073","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558607","7.9894","0.0007","8.5405","0.0008","9.4779","0.0009","103.054","0.008","101.71","0.008","92.188","0.007","614.49","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","1","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0983","0.06","","","0.105","0.1252","","","","","","1.091","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558608","9.9399","0.001","9.5252","0.0009","12.143","0.001","90","","94.29","0.008","90","","1146.47","0.18","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cr F6 N2 O4 -","- C22 H22 Cr F6 N2 O4 -","- C44 H44 Cr2 F12 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0943","0.0631","","","0.1257","0.1433","","","","","","1.046","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558609","17.0458","0.0016","16.5877","0.0016","19.5942","0.0017","90","","112.851","0.003","90","","5105.5","0.8","173","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H83 La N2 O4 Si2 -","- C49 H83 La N2 O4 Si2 -","- C196 H332 La4 N8 O16 Si8 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0847","0.0527","","","0.0906","0.1021","","","","","","1.022","","","","has coordinates","254368","2020-10-21","18:00:00",""
"1558610","15.355","0.002","15.378","0.002","35.734","0.005","90","","94.563","0.005","90","","8411.1","1.9","173.21","","173.21","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C91 H111 La N2 O4 P2 Si2 -","- C77 H95 La N2 O4 P2 Si2 -","- C308 H380 La4 N8 O16 P8 Si8 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0659","0.0528","","","0.1315","0.1399","","","","","","1.046","","","","has coordinates,has disorder","254368","2020-10-21","18:00:00",""
"1558611","15.221","0.0016","15.3725","0.0015","35.552","0.004","90","","93.759","0.003","90","","8300.7","1.5","173.19","","173.19","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C91 H111 N2 O4 P2 Si2 Y -","- C77 H95 N2 O4 P2 Si2 Y -","- C308 H380 N8 O16 P8 Si8 Y4 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0615","0.0477","","","0.1238","0.1332","","","","","","1.018","","","","has coordinates,has disorder","254368","2020-10-21","18:00:00",""
"1558612","9.04","0.009","16.15","0.008","14.32","0.006","90","","101.67","0.006","90","","2047","2","301","2","301","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Cl O7 -","- C23 H21 Cl O7 -","- C92 H84 Cl4 O28 -","4","0.5","","Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai","A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis","Chemical Science","2020","","","","","10.1039/D0SC02623A","","","0.71073","MoKα","","0.1771","0.1275","","","0.2138","0.2347","","","","","","1.328","","","","has coordinates","254369","2020-10-21","18:00:00",""
"1558626","4.5997","0.0003","56.635","0.004","5.5074","0.0004","90","","99.223","0.004","90","","1416.15","0.17","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N O2 -","- C29 H53 N O2 -","- C58 H106 N2 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","1.54178","CuKα","","0.1647","0.0894","","","0.2105","0.2497","","","","","","1.045","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558627","5.4494","0.0003","8.9235","0.0005","57.441","0.003","90","","92.643","0.002","90","","2790.3","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N O2 -","- C31 H47 N O2 -","- C124 H188 N4 O8 -","4","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.1242","0.056","","","0.1073","0.1255","","","","","","1.034","","","","has coordinates,has disorder","254418","2020-10-21","18:00:00",""
"1558628","5.3544","0.0003","6.8239","0.0004","39.92","0.002","87.742","0.004","88.869","0.004","75.291","0.004","1409.62","0.14","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 N2 O2 -","- C30 H46 N2 O2 -","- C60 H92 N4 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","1.54178","CuKα","","0.1569","0.0994","","","0.1798","0.2017","","","","","","1.09","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558629","9.5968","0.0006","4.6441","0.0003","57.52","0.004","90","","92.59","0.002","90","","2561","0.3","120","","120","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C54 H95 N O4 -","- C54 H95 N O4 -","- C108 H190 N2 O8 -","2","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0945","0.0561","","","0.1217","0.1361","","","","","","1.049","","","","has coordinates,has disorder","254418","2020-10-21","18:00:00",""
"1558630","5.577","0.0004","11.8339","0.0008","23.0041","0.0015","100.67","0.002","96.096","0.002","103.007","0.002","1436.25","0.17","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H104 N2 O4 -","- C60 H104 N2 O4 -","- C60 H104 N2 O4 -","1","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0754","0.0497","","","0.1263","0.1398","","","","","","1.019","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558631","4.5738","0.0003","5.3909","0.0003","46.647","0.003","88.6499","0.0015","88.5073","0.0014","81.4017","0.0014","1136.63","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H42 O2 -","- C25 H42 O2 -","- C50 H84 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.6889","synchrotron","","0.0802","0.064","","","0.1772","0.1886","","","","","","1.035","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558632","5.4415","0.0002","8.9535","0.0004","55.673","0.003","90","","90.8823","0.001","90","","2712.1","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 N2 O4 -","- C60 H92 N2 O4 -","- C120 H184 N4 O8 -","2","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.6889","synchrotron","","0.0562","0.0529","","","0.151","0.1553","","","","","","1.069","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558633","20.0926","0.0014","8.0678","0.0006","11.6061","0.0008","90","","97.064","0.003","90","","1867.1","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C64 H136 N8 O24 -","8","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0505","0.0356","","","0.0931","0.1011","","","","","","1.023","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558634","20.0773","0.0005","20.0773","0.0005","23.9655","0.0008","90","","90","","90","","9660.4","0.5","223","1","223","1","","","","","","","","5","I -4","I -4","82","","","","- C240 H168 N12 O38 Pd2 -","- C240 H168 N12 O38 Pd2 -","- C480 H336 N24 O76 Pd4 -","2","0.25","","Tsutsui, Takahiro; Catti, Lorenzo; Yoza, Kenji; Yoshizawa, Michito","An Atropisomeric M2L4 Cage Mixture Displaying Guest-Induced Convergence and Strong Guest Emission in Water","Chemical Science","2020","","","","","10.1039/D0SC03223A","","","0.71073","MoKα","","0.1256","0.0991","","","0.2732","0.3162","","","","","","1.332","","","","has coordinates,has disorder","254419","2020-10-21","18:00:00",""
"1558638","6.571","0.003","12.434","0.005","12.168","0.006","90","","93.376","0.007","90","","992.4","0.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-1-phenylpyridin-2(1H)-one","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.0925","0.0693","","","0.1384","0.1506","","","","","","1.189","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558639","9.935","0.005","7.985","0.004","13.41","0.007","90","","110.758","0.009","90","","994.8","0.9","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methoxy-2-phenoxypyridine","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.1042","0.0617","","","0.1159","0.1373","","","","","","1.09","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558640","6.0218","0.0015","15.569","0.004","17.415","0.004","90","","91.278","0.005","90","","1632.3","0.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diphenyliodonium 2-oxo-5-(trifluoromethyl)-2H-pyridin-1-ide","","- C18 H13 F3 I N O -","- C18 H13 F3 I N O -","- C72 H52 F12 I4 N4 O4 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.0559","0.0417","","","0.0888","0.1059","","","","","","1.274","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558641","16.6384","0.0004","21.0131","0.0006","9.0227","0.0002","90","","90","","90","","3154.56","0.14","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H46 Al F N2 -","- C35 H46 Al F N2 -","- C140 H184 Al4 F4 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0703","0.0458","","","0.1072","0.1248","","","","","","1.04","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558642","16.641","0.0008","21.2084","0.0007","8.9762","0.0004","90","","90","","90","","3168","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0643","0.0482","","","0.1085","0.1179","","","","","","1.059","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558643","22.3034","0.0005","19.6726","0.0005","7.40067","0.00018","90","","90","","90","","3247.16","0.14","173","2","173","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.041","0.0355","","","0.0901","0.0936","","","","","","1.067","","","","has coordinates","254450","2020-10-21","18:00:00",""
"1558644","12.2421","0.0003","22.2792","0.0004","12.5805","0.0003","90","","109.551","0.003","90","","3233.43","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Al F3 N2 -","- C35 H44 Al F3 N2 -","- C140 H176 Al4 F12 N8 -","4","1","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0579","0.0417","","","0.1027","0.1145","","","","","","1.02","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558645","14.5388","0.0005","20.1047","0.0006","8.9393","0.0003","90","","90","","90","","2612.94","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0727","0.0549","","","0.1368","0.1609","","","","","","1.034","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558646","25.104","0.0008","18.4374","0.0008","17.7897","0.0005","90","","90","","90","","8234","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C45.5 H56 Al F3 N2 -","- C45.5 H56 Al F3 N2 -","- C364 H448 Al8 F24 N16 -","8","1","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0796","0.085","","","","","","1.023","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558647","14.522","0.0004","20.1046","0.0008","8.9481","0.0003","90","","90","","90","","2612.48","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0667","0.0491","","","0.1245","0.1419","","","","","","1.028","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558648","12.088","0.002","12.625","0.002","16.135","0.003","81.857","0.002","89.421","0.003","77.548","0.002","2379.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(FeMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C86 H80 B2 F40 Fe2 N8 O4 -","- C86 H80 B2 F40 Fe2 N8 O4 -","- C86 H80 B2 F40 Fe2 N8 O4 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0685","0.0541","","","0.1461","0.1585","","","","","","1.036","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558649","12.009","0.003","12.574","0.003","16.141","0.004","82.488","0.003","89.864","0.003","77.525","0.003","2358.5","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(CoMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C86 H80 B2 Co2 F40 N8 O4 -","- C86 H80 B2 Co2 F40 N8 O4 -","- C86 H80 B2 Co2 F40 N8 O4 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0622","0.0492","","","0.1275","0.138","","","","","","1.031","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558650","12.015","0.002","12.54","0.002","16.083","0.003","97.774","0.003","90.679","0.003","101.898","0.002","2347.4","0.7","100","2","100","","","","","","","","","7","P -1","-P 1","2","","[(NiMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C90 H90 B2 F40 N8 Ni2 O5 -","- C90 H90 B2 F40 N8 Ni2 O5 -","- C90 H90 B2 F40 N8 Ni2 O5 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0484","0.0393","","","0.1013","0.1074","","","","","","1.049","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558651","26.788","0.006","22.494","0.005","19.436","0.005","90","","110.506","0.003","90","","10969","4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(FeMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 F60 Fe2 N8 O3 -","- C106 H74 B3 F60 Fe2 N8 O3 -","- C424 H296 B12 F240 Fe8 N32 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0633","0.0445","","","0.1057","0.1159","","","","","","1.041","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558652","26.694","0.01","22.411","0.008","19.45","0.007","90","","110.424","0.004","90","","10904","7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(NiMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 F60 N8 Ni2 O3 -","- C106 H74 B3 F60 N8 Ni2 O3 -","- C424 H296 B12 F240 N32 Ni8 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0651","0.0487","","","0.1155","0.1271","","","","","","1.028","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558653","26.75","0.01","22.475","0.008","19.437","0.007","90","","110.625","0.004","90","","10937","7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(CoMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 Co2 F60 N8 O3 -","- C106 H74 B3 Co2 F60 N8 O3 -","- C424 H296 B12 Co8 F240 N32 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0783","0.0617","","","0.144","0.1528","","","","","","1.136","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558659","11.8749","0.0004","6.1545","0.0002","12.1392","0.0004","90","","105.369","0.001","90","","855.46","0.05","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O -","- C23 H20 O -","- C46 H40 O2 -","2","1","","Yuan, Yuan; Zhang, Xue; Qian, Hui; Ma, Shengming","Catalytic enantioselective allene-anhydride approach to β,γ-unsaturated enones bearing an α-all-carbon-quaternary center","Chemical Science","2020","","","","","10.1039/D0SC03227A","","","1.54178","CuKα","","0.0398","0.0389","","","0.1094","0.1109","","","","","","1.048","","","","has coordinates","254490","2020-10-21","18:00:00",""
"1558663","6.1587","0.0005","9.3173","0.0008","15.993","0.0013","96.1247","0.0013","90.4111","0.0013","99.2413","0.0014","900.36","0.13","149","2","149","2","","","","","","","","3","P -1","-P 1","2","cis-3-([1,1?-biphenyl]-4-ylmethyl)-4-neopentyltetrahydrofuran","LL-2","","- C22 H28 O -","- C22 H28 O -","- C44 H56 O2 -","2","1","","Liu, Lei; Lee, Wes; Youshaw, Cassandra R.; Yuan, Mingbin; Geherty, Michael B.; Zavalij, Peter Y.; gutierrez, osvaldo","Fe-Catalyzed Three-Component Dicarbofunctionalization of Unactivated Alkenes with Alkyl Halides and Grignard Reagents","Chemical Science","2020","","","","","10.1039/D0SC02127J","","","0.71073","MoKα","","0.0554","0.0487","","","0.0938","0.0963","","","","","","1","","","","has coordinates","254567","2020-10-21","18:00:00",""
"1558664","12.9243","0.0002","16.0575","0.0002","18.3402","0.0003","90","","103.636","0.001","90","","3698.89","0.1","100","0.7","100","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N5 O2 -","- C45 H45 N5 O2 -","- C180 H180 N20 O8 -","4","1","","Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent","Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps","Chemical Science","2020","","","","","10.1039/D0SC03445B","","x-ray","1.54184","CuKα","","0.0515","0.0488","","","0.1294","0.1328","","","","","","1.031","","","","has coordinates","254568","2020-10-21","18:00:00",""
"1558665","15.3125","0.0002","15.3125","0.0002","23.868","0.0004","90","","90","","90","","5596.39","0.14","100.01","0.11","100.01","0.11","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C54 H65 N6 O5 -","- C54 H65 N6 O5 -","- C216 H260 N24 O20 -","4","0.5","","Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent","Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps","Chemical Science","2020","","","","","10.1039/D0SC03445B","","x-ray","1.54184","CuKα","","0.0891","0.0802","","","0.2419","0.2557","","","","","","1.054","","","","has coordinates,has disorder","254568","2020-10-21","18:00:00",""
"1558673","7.9704","0.0015","5.7466","0.001","36.314","0.007","90","","95.924","0.004","90","","1654.4","0.5","150","","150","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 -","- C25 H18 -","- C100 H72 -","4","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0636","0.0524","","","0.1228","0.1309","","","","","","1.065","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558674","9.362","0.003","9.511","0.002","20.202","0.005","90","","99.403","0.011","90","","1774.7","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O2 S -","- C24 H16 O2 S -","- C96 H64 O8 S4 -","4","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.124","0.0814","","","0.142","0.1573","","","","","","1.208","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558675","10.1221","0.0008","13.8377","0.0011","7.1345","0.0005","90","","91.65","0.002","90","","998.89","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C48 H32 O8 S4 -","4","0.5","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0518","0.0454","","","0.1333","0.1401","","","","","","1.088","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558676","8.3173","0.0013","9.6055","0.0017","13.2","0.002","100.545","0.005","92.275","0.004","90.001","0.005","1035.9","0.3","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C60 H52 -","- C60 H52 -","- C60 H52 -","1","0.5","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1297","0.07","","","0.1705","0.2008","","","","","","1.033","","","","has coordinates,has disorder","254636","2020-10-21","18:00:00",""
"1558677","8.5024","0.0008","11.1377","0.001","26.18","0.002","83.462","0.007","84.924","0.007","89.341","0.007","2453.4","0.4","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C31 H30 -","- C31 H30 -","- C124 H120 -","4","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1666","0.0682","","","0.137","0.1792","","","","","","0.994","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558678","21.5488","0.0014","21.5488","0.0014","9.6725","0.0006","90","","90","","90","","4491.4","0.5","100","","100","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C15 H14 -","- C15 H14 -","- C240 H224 -","16","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0671","0.0478","","","0.118","0.1338","","","","","","1.049","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558679","7.3833","0.0013","8.4946","0.0016","15.02","0.003","94.371","0.005","93.59","0.006","90.853","0.005","937.3","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 O4 S2 -","- C24 H14 O4 S2 -","- C48 H28 O8 S4 -","2","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1041","0.0653","","","0.1639","0.1804","","","","","","1.057","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558680","15.642","0.005","17.335","0.003","18.046","0.003","90","","98.641","0.005","90","","4837.7","1.9","150","","150","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C30 H28 O2 S -","- C30 H28 O2 S -","- C240 H224 O16 S8 -","8","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1178","0.0883","","","0.1966","0.2131","","","","","","1.046","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558681","19.5956","0.0005","22.8016","0.0004","16.5804","0.0004","90","","109.79","0.003","90","","6970.8","0.3","298","2","298","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 -","- C45 H38 -","- C360 H304 -","8","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.168","0.0955","","","0.2331","0.2548","","","","","","1.572","","","","has coordinates,has disorder","254636","2020-10-21","18:00:00",""
"1558682","7.6704","0.0019","16.878","0.003","23.693","0.005","71.258","0.016","84.16","0.02","78.786","0.018","2846.7","1.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H20 O6 S3 -","- C36 H20 O6 S3 -","- C144 H80 O24 S12 -","4","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.6889","","","0.1546","0.0854","","","0.2218","0.2427","","","","","","0.945","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558698","26.038","0.003","26.038","0.003","7.7843","0.001","90","","90","","120","","4570.5","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1054","0.0785","","0.2639","0.2168","0.2639","","","","","","0.9777","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558699","26.025","0.002","26.025","0.002","7.7498","0.0007","90","","90","","120","","4545.7","0.6","293","","293","","","","960000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1035","0.0823","","0.2525","0.2171","0.2525","","","","","","1.0556","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558700","26.453","0.002","26.453","0.002","7.7499","0.0006","90","","90","","120","","4696.5","0.6","293","","293","","","","520000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0955","0.0669","","0.1662","0.1275","0.1655","","","","","","1.0712","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558701","25.4451","0.0017","25.4451","0.0017","7.7312","0.0005","90","","90","","120","","4335","0.5","293","","293","","","","1570000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0809","0.0608","","0.2098","0.1666","0.2098","","","","","","0.9937","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558702","25.1855","0.0018","25.1855","0.0018","7.73","0.0006","90","","90","","120","","4246.3","0.5","293","","293","","","","2150000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.4859","?","","0.1126","0.0631","","0.1913","0.1298","0.1913","","","","","","1.0343","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558703","24.8906","0.0016","24.8906","0.0016","7.757","0.0005","90","","90","","120","","4161.9","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1138","0.0802","","0.1519","0.1257","0.1517","","","","","","1.0283","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558704","26.594","0.003","26.594","0.003","7.7475","0.0009","90","","90","","120","","4745.3","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0609","0.0452","","0.0833","0.075","0.0833","","","","","","0.9899","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558705","49.169","0.003","49.169","0.003","7.7897","0.0005","90","","90","","120","","16309.3","1.8","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H32 Cu2 N4 O8 -","- C36 H32 Cu2 N4 O8 -","- C648 H576 Cu36 N72 O144 -","18","1","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.2815","0.1966","","0.4126","0.2282","0.2282","","","","","","1.2142","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558706","26.44","0.0006","26.44","0.0006","7.8045","0.0002","90","","90","","120","","4724.97","0.19","293","","293","","","","70000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1011","0.0701","","0.1693","0.1481","0.1693","","","","","","1","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558707","26.3304","0.0007","26.3304","0.0007","7.7955","0.0002","90","","90","","120","","4680.5","0.2","293","","293","","","","140000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0949","0.0701","","0.1753","0.151","0.1753","","","","","","1.0493","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558708","25.342","0.002","25.342","0.002","7.7011","0.0005","90","","90","","120","","4283.2","0.6","293","","293","","","","1270000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1318","0.0871","","0.2454","0.1924","0.2454","","","","","","1.0094","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558709","26.0243","0.0005","26.0243","0.0005","7.7622","0.0002","90","","90","","120","","4552.75","0.17","293","","293","","","","330000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1366","0.0888","","0.1873","0.1667","0.1873","","","","","","1.1468","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558710","25.4689","0.0016","25.4689","0.0016","7.7069","0.0006","90","","90","","120","","4329.4","0.5","293","","293","","","","880000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1688","0.1229","","0.3484","0.2935","0.3484","","","","","","0.9832","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558711","26.62","0.0012","26.62","0.0012","7.7505","0.0004","90","","90","","120","","4756.4","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0733","0.055","","0.1656","0.1503","0.1656","","","","","","1.1296","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558712","25.7864","0.0008","25.7864","0.0008","7.7459","0.0003","90","","90","","120","","4460.5","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0694","0.0514","","0.1613","0.1467","0.1613","","","","","","1.0139","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558713","25.2568","0.0011","25.2568","0.0011","7.7047","0.0004","90","","90","","120","","4256.4","0.3","293","","293","","","","1560000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.138","0.0964","","0.2634","0.2125","0.2634","","","","","","1.035","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558714","26.1591","0.0014","26.1591","0.0014","7.7544","0.0005","90","","90","","120","","4595.4","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0744","0.0559","","0.1817","0.1579","0.1817","","","","","","0.9837","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558715","25.3023","0.0007","25.3023","0.0007","7.7337","0.0003","90","","90","","120","","4287.8","0.2","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0576","0.0459","","0.1211","0.1112","0.1211","","","","","","0.8986","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558716","7.7799","0.0003","15.1586","0.0009","15.4901","0.0009","116.604","0.006","100.395","0.004","98.422","0.004","1551.99","0.18","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 Cu3 N6 O13 -","- C58 H58 Cu3 N6 O13 -","- C58 H58 Cu3 N6 O13 -","1","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","x-ray","1.54184","CuKα","","0.0808","0.061","","","0.1809","0.1977","","","","","","1.007","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558717","25.4345","0.0008","25.4345","0.0008","7.7363","0.0003","90","","90","","120","","4334.2","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0574","0.0442","","0.1047","0.0978","0.1047","","","","","","0.9951","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558718","25.6002","0.0012","25.6002","0.0012","7.7386","0.0004","90","","90","","120","","4392.2","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0766","0.0622","","0.2222","0.2005","0.2222","","","","","","1.1201","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558721","11.282","0.006","15.881","0.007","11.591","0.006","90","","111.756","0.012","90","","1928.8","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","","0.71073","MoKα","","0.1508","0.0748","","","0.1676","0.21","","","","","","0.958","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558722","8.33916","0.00006","19.51555","0.00015","11.56961","0.00009","90","","102.22","0.0008","90","","1840.22","0.02","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","x-ray","1.54184","CuKα","","0.0303","0.0298","","","0.0763","0.0769","","","","","","1.052","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558723","17.1075","0.0003","6.98646","0.0001","19.6635","0.0002","90","","90","","90","","2350.2","0.06","139.99","0.1","139.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C88 H100 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0827","0.0832","","","","","","1.037","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558727","12.562","0.005","10.663","0.005","21.857","0.005","90","0.005","93.762","0.005","90","0.005","2921.4","1.9","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Br3 Fe3 -","- C36 H27 Br3 Fe3 -","- C144 H108 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0737","0.055","","","0.1371","0.1544","","","","","","1.034","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558728","12.1916","0.0006","13.1108","0.0006","18.3274","0.0007","83.468","0.004","78.135","0.004","80.466","0.004","2817.6","0.2","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 Fe3 P3 -","- C72 H52 Fe3 P3 -","- C144 H104 Fe6 P6 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.107","0.0555","","","0.0982","0.1152","","","","","","0.979","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558729","14.0078","0.0004","19.3202","0.0005","12.2848","0.0004","90","","115.926","0.004","90","","2990.08","0.18","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Br3 F3 Fe3 -","- C36 H24 Br3 F3 Fe3 -","- C144 H96 Br12 F12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0508","0.0327","","","0.0612","0.0683","","","","","","1.053","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558730","15.619","0.0005","14.0809","0.0005","14.7566","0.0006","90","","98.42","0.003","90","","3210.4","0.2","130","2","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Br3 Fe3 -","- C39 H33 Br3 Fe3 -","- C156 H132 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.061","0.0405","","","0.0908","0.1017","","","","","","1.035","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558731","7.7184","0.0002","32.9287","0.0007","12.6304","0.0003","90","","93.703","0.002","90","","3203.4","0.13","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Br3 Fe3 -","- C39 H33 Br3 Fe3 -","- C156 H132 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0834","0.046","","","0.0666","0.0762","","","","","","1.008","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558732","10.2357","0.0005","16.1124","0.0006","19.2961","0.0007","102.741","0.003","96.159","0.003","93.096","0.003","3076.2","0.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C76.68 H66.82 Cl Fe3 O0 P3 -","- C76.675 H66.82 Cl Fe3 P3 -","- C153.35 H133.64 Cl2 Fe6 P6 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0624","0.0406","","","0.0829","0.0911","","","","","","1.015","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558733","9.8526","0.0004","10.9313","0.0004","18.774","0.0012","92.519","0.004","103.594","0.005","95.61","0.003","1951.25","0.17","130","","130","","","","","","","","","7","P 1","P 1","1","","","","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","1","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0843","0.0675","","","0.1551","0.1667","","","","","","1.003","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558734","15.7205","0.0003","7.4429","0.0002","20.7347","0.0005","90","","100.647","0.002","90","","2384.32","0.1","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Br2 Fe3 -","- C30 H24 Br2 Fe3 -","- C120 H96 Br8 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0649","0.041","","","0.0775","0.0869","","","","","","1.006","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558735","11.5217","0.0003","11.6762","0.0003","23.9327","0.0007","76.369","0.002","88.688","0.002","69.101","0.003","2916.48","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C69.1 H60.25 Br4 Cl2.25 Fe5 -","- C69.125 H60.25 Br4 Cl2.25 Fe5 -","- C138.25 H120.5 Br8 Cl4.5 Fe10 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0791","0.0404","","","0.0776","0.0824","","","","","","0.861","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558736","17.244","0.0003","17.244","0.0003","33.5908","0.001","90","","90","","120","","8650.2","0.3","130","","130","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H66 B3 Fe3 P3 -","- C72 H66 B3 Fe3 P3 -","- C432 H396 B18 Fe18 P18 -","6","0.333333","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0518","0.0432","","","0.089","0.0931","","","","","","1.05","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558737","10.8725","0.0002","7.3697","0.0001","57.2078","0.0013","90","","94.432","0.002","90","","4570.19","0.15","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br3 F3 Fe2 -","- C26 H16 Br3 F3 Fe2 -","- C208 H128 Br24 F24 Fe16 -","8","2","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0735","0.064","","","0.113","0.1161","","","","","","1.244","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558738","19.44","0.0003","25.6696","0.0005","35.2564","0.0007","103.677","0.002","96.218","0.002","108.488","0.002","15888.5","0.6","130","2","130","2","","","","","","","","9","P -1","-P 1","2","","","","- C247 H128 Al6 Au6 Cl13 F216 Fe6 O24 P6 -","- C215 H128 Al4 Au6 Cl13 F144 Fe6 O16 P6 -","- C430 H256 Al8 Au12 Cl26 F288 Fe12 O32 P12 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.1705","0.0912","","","0.2241","0.277","","","","","","1.027","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558739","19.2673","0.001","23.5145","0.001","35.6971","0.0018","90","","92.434","0.003","90","","16158.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C172 H152 Co9 N17 P6 Se8 -","- C172 H152 Co9 N17 P6 Se8 -","- C688 H608 Co36 N68 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.3094","0.1854","","","0.3438","0.3969","","","","","","1.087","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558740","15.3355","0.0014","17.8362","0.0017","29.564","0.003","87.013","0.006","87.701","0.005","82.9","0.005","8009","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H117 Co9 N9 P6 Se8 -","- C132 H117 Co9 N9 P6 Se8 -","- C264 H234 Co18 N18 P12 Se16 -","2","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.2913","0.0856","","","0.1839","0.238","","","","","","0.803","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558741","30.1353","0.0008","15.1296","0.0005","33.4288","0.001","90","","116.579","0.001","90","","13630.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C129 H117 Co9 N9 P6 Se8 -","- C129 H117 Co9 N9 P6 Se8 -","- C516 H468 Co36 N36 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.0589","0.0341","","","0.067","0.0729","","","","","","1.022","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558742","18.3156","0.0016","24.1602","0.0018","35.255","0.003","90","","92.12","0.004","90","","15590","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H120 Co9 N9 P6 Se8 -","- C132 H120 Co9 N9 P6 Se8 -","- C528 H480 Co36 N36 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.2844","0.1364","","","0.3424","0.399","","","","","","1.042","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558743","19.0473","0.0013","28.0304","0.0018","30.824","0.003","109.902","0.005","97.084","0.005","102.271","0.004","14774","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C258 H228 Co18 N18 P12 Se16 -","- C258 H228 Co18 N18 P12 Se16 -","- C516 H456 Co36 N36 P24 Se32 -","2","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.4204","0.1683","","","0.3907","0.5253","","","","","","1.116","","","","has coordinates","254752","2020-10-21","18:00:00",""
"1558751","7.2623","0.0005","8.3682","0.0006","23.6179","0.0017","81.735","0.002","87.228","0.002","72.334","0.002","1353.41","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H45 B Cl N P Rh -","- C25 H45 B Cl N P Rh -","- C50 H90 B2 Cl2 N2 P2 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0494","0.0355","","","0.0688","0.0733","","","","","","1.029","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558752","13.155","0.004","13.567","0.004","17.3","0.005","90","","95.737","0.013","90","","3072.1","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0189","0.0185","","","0.0475","0.0477","","","","","","1.037","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558753","18.5","0.003","10.9446","0.0014","16.701","0.005","90","","99.868","0.018","90","","3331.5","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 B Cl Fe N P Rh -","- C34 H51 B Cl Fe N P Rh -","- C136 H204 B4 Cl4 Fe4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0189","0.0174","","","0.0434","0.0443","","","","","","1.048","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558754","11.385","0.005","27.454","0.004","12.146","0.002","90","","95.31","0.03","90","","3780.1","1.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Cl N O2 P Rh -","- C36 H58 B2 Cl N O2 P Rh -","- C144 H232 B8 Cl4 N4 O8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0423","0.0353","","","0.0788","0.083","","","","","","1.057","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558755","8.4198","0.0013","22.107","0.005","15.4","0.003","90","","100.678","0.015","90","","2816.9","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 B Cl N P Rh -","- C26 H47 B Cl N P Rh -","- C104 H188 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0361","0.0253","","","0.0515","0.055","","","","","","1.015","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558756","17.729","0.007","9.767","0.004","19.228","0.008","90","","115.848","0.01","90","","2996","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 B Cl N P Rh -","- C28 H47 B Cl N P Rh -","- C112 H188 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0264","0.0224","","","0.0555","0.0588","","","","","","1.064","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558757","14.758","0.004","11.7829","0.0018","19.206","0.007","90","","107.324","0.009","90","","3188.3","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B Cl F3 N P Rh -","- C31 H46 B Cl F3 N P Rh -","- C124 H184 B4 Cl4 F12 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0226","0.0203","","","0.0466","0.0481","","","","","","1.026","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558758","8.3899","0.0014","20.844","0.004","19.12","0.003","90","","93.632","0.011","90","","3337","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B Cl N2 P Rh -","- C32 H52 B Cl N2 P Rh -","- C128 H208 B4 Cl4 N8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0277","0.0236","","","0.0583","0.0609","","","","","","1.035","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558759","9.269","0.003","12.103","0.003","20.168","0.007","106.938","0.01","91.473","0.014","96.9","0.013","2144.3","1.2","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H69 B2 Cl N2 P Rh -","- C43 H69 B2 Cl N2 P Rh -","- C86 H138 B4 Cl2 N4 P2 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0236","0.0221","","","0.0549","0.0561","","","","","","1.081","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558760","16.329","0.005","9.07","0.003","13.365","0.003","90","","110.285","0.005","90","","1856.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0497","0.0451","","","0.1197","0.1248","","","","","","1.022","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558761","18.735","0.007","25.249","0.011","8.208","0.004","90","","102.644","0.012","90","","3789","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H56 B Cl N P Rh -","- C39 H56 B Cl N P Rh -","- C156 H224 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0423","0.0271","","","0.0616","0.0659","","","","","","1.026","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558762","9.9075","0.0019","10.1161","0.0014","14.978","0.004","84.197","0.007","79.842","0.01","77.786","0.007","1441","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H48 B Cl N P2 Rh -","- C25 H48 B Cl N P2 Rh -","- C50 H96 B2 Cl2 N2 P4 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0192","0.0183","","","0.0472","0.0479","","","","","","1.062","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558763","11.621","0.003","38.859","0.007","14.802","0.004","90","","99.837","0.007","90","","6586","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 B Cl Fe N P2 Rh -","- C31 H48 B Cl Fe N P2 Rh -","- C248 H384 B8 Cl8 Fe8 N8 P16 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0307","0.0238","","","0.0467","0.0497","","","","","","1.063","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558764","9.831","0.006","19.14","0.009","19.599","0.01","90","","101.13","0.03","90","","3618","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 B2 Cl N O2 P2 Rh -","- C33 H55 B2 Cl N O2 P2 Rh -","- C132 H220 B8 Cl4 N4 O8 P8 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0626","0.0405","","","0.0811","0.0926","","","","","","1.049","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558765","10.096","0.003","18.272","0.009","28.341","0.002","90","","90","","90","","5228","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B Cl N P2 Rh -","- C22 H42 B Cl N P2 Rh -","- C176 H336 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.025","0.0226","","","0.0562","0.0578","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558766","13.118","0.005","14.618","0.008","28.215","0.01","90","","92.72","0.016","90","","5404","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 B Cl N P2 Rh -","- C23 H44 B Cl N P2 Rh -","- C184 H352 B8 Cl8 N8 P16 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0237","0.0223","","","0.0565","0.0575","","","","","","1.072","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558767","9.117","0.003","18.699","0.004","17.128","0.006","90","","92.047","0.016","90","","2918.1","1.5","101","2","101","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 B Cl N P2 Rh -","- C27 H44 B Cl N P2 Rh -","- C108 H176 B4 Cl4 N4 P8 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0222","0.0198","","","0.0464","0.0479","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558768","16.099","0.007","12.139","0.003","20.044","0.006","90","","96.049","0.012","90","","3895","2","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 B Cl F3 N2 P Rh -","- C39 H55 B Cl F3 N2 P Rh -","- C156 H220 B4 Cl4 F12 N8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0341","0.0276","","","0.0602","0.0636","","","","","","1.048","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558769","11.969","0.002","19.828","0.004","15.99","0.003","90","","91.168","0.006","90","","3794","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H61 B N5 Rh -","- C37 H61 B N5 Rh -","- C148 H244 B4 N20 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0237","0.0219","","","0.0507","0.0517","","","","","","1.057","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558770","12.67","0.008","11.135","0.006","13.004","0.008","90","","90","","90","","1834.6","1.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0484","0.039","","","0.0905","0.0961","","","","","","1.034","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558771","12.009","0.006","18.218","0.008","14.765","0.013","90","","107.74","0.02","90","","3077","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B N3 P Rh -","- C30 H52 B N3 P Rh -","- C120 H208 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0676","0.0443","","","0.0834","0.0922","","","","","","1.014","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558772","11.254","0.004","9.024","0.002","29.373","0.008","90","","98.317","0.013","90","","2951.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0553","0.0385","","","0.065","0.0688","","","","","","1.09","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558773","12.921","0.002","20.038","0.005","21.929","0.004","107.641","0.011","104.548","0.013","103.913","0.012","4919.1","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H147 B3 Cl3 N3 P6 Rh3 -","- C90 H146.999 B3 Cl3 N3 P6 Rh3 -","- C180 H293.998 B6 Cl6 N6 P12 Rh6 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0346","0.0302","","","0.0722","0.0753","","","","","","1.038","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558774","22.645","0.008","18.484","0.006","17.744","0.003","90","","122.497","0.008","90","","6264","3","101","2","101","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H47 B Cl N P2 Rh -","- C30 H47 B Cl N P2 Rh -","- C240 H376 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0295","0.0251","","","0.055","0.0574","","","","","","1.096","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558775","14.74","0.003","15.319","0.004","14.833","0.003","90","","116.828","0.009","90","","2988.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0438","0.0367","","","0.0929","0.0981","","","","","","1.057","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558776","11.06","0.003","18.039","0.003","17.701","0.002","90","","94.498","0.012","90","","3520.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B N5 Rh -","- C34 H55 B N5 Rh -","- C136 H220 B4 N20 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0292","0.0242","","","0.0547","0.0577","","","","","","1.072","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558777","11.529","0.004","16.437","0.005","18.831","0.005","90","","90","","90","","3568.5","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H60 B N3 P Rh -","- C34 H60 B N3 P Rh -","- C136 H240 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0305","0.0284","","","0.0695","0.0708","","","","","","1.053","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558778","21.577","0.005","8.0109","0.0019","34.845","0.008","90","","90","","90","","6023","2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C224 H408 B8 Cl8 N8 P8 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0695","0.053","","","0.1146","0.1221","","","","","","1.099","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558779","11.713","0.002","16.027","0.0019","20.498","0.004","90","","106.075","0.007","90","","3697.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H65 B N3 P Rh -","- C36 H65 B N3 P Rh -","- C144 H260 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0366","0.0288","","","0.0652","0.0692","","","","","","1.063","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558780","8.2066","0.0005","16.0484","0.001","5.6011","0.0003","90","","100.525","0.002","90","","725.27","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 -","- C16 H16 Br2 -","- C32 H32 Br4 -","2","0.5","","Gieuw, Matthew H.; Chen, Shuming; Ke, Zhihai; Houk, Kendall N.; Yeung, Ying-Yeung","Boron Tribromide as Reagent for Anti-Markovnikov Addition of HBr to Cyclopropanes","Chemical Science","2020","","","","","10.1039/D0SC02567D","","","0.71073","MoKα","","0.0258","0.0231","","","0.0637","0.0649","","","","","","1.166","","","","has coordinates","254817","2020-10-21","18:00:00",""
"1558781","10.2107","0.0002","10.2107","0.0002","43.1372","0.0013","90","","90","","90","","4497.42","0.18","170","0.1","170","0.1","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C27 H15 O21 Tb3 -","- C27 H15 O21 Tb3 -","- C108 H60 O84 Tb12 -","4","0.5","","Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian","Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning","Chemical Science","2020","","","","","10.1039/D0SC02856H","","x-ray","0.71073","MoKα","","0.0619","0.0575","","","0.1272","0.1285","","","","","","1.13","","","","has coordinates","254818","2020-10-21","18:00:00",""
"1558782","10.2191","0.0002","10.2191","0.0002","14.3738","0.0005","90","","90","","90","","1501.06","0.07","169.97","0.1","169.97","0.1","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H5 O7 Tb -","- C9 H5 O7 Tb -","- C36 H20 O28 Tb4 -","4","0.5","","Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian","Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning","Chemical Science","2020","","","","","10.1039/D0SC02856H","","x-ray","1.54184","CuKα","","0.0576","0.0536","","","0.121","0.1272","","","","","","1.178","","","","has coordinates,has disorder","254818","2020-10-21","18:00:00",""
"1558803","7.46458","0.00013","17.4351","0.0003","10.11223","0.00013","90","","99.0427","0.0014","90","","1299.71","0.04","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 Fe N2 Si -","- C26 H38 Fe N2 Si -","- C52 H76 Fe2 N4 Si2 -","2","0.5","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","1.54184","CuKα","","0.032","0.0303","","","0.085","0.0864","","","","","","1.063","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558804","12.7212","0.0004","13.5703","0.0004","14.5849","0.0005","73.777","0.002","85.65","0.003","86.169","0.002","2407.84","0.14","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H74.63 Fe K N2 O7.5 Si -","- C44 H74.626 Fe K N2 O7.5 Si -","- C88 H149.252 Fe2 K2 N4 O15 Si2 -","2","1","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","0.71073","MoKα","","0.0481","0.0419","","","0.1003","0.1033","","","","","","1.034","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558805","15.284","0.0003","14.0745","0.0003","22.2861","0.0004","90","","94.457","0.002","90","","4779.57","0.16","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H70 Fe2 N4 S Si -","- C50.5 H70 Fe2 N4 S Si -","- C202 H280 Fe8 N16 S4 Si4 -","4","1","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","0.71073","MoKα","","0.0449","0.0307","","","0.0785","0.087","","","","","","1.092","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558806","6.2396","0.0002","23.7102","0.0007","9.2667","0.0003","90","","96.545","0.003","90","","1362","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem","Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity","Chemical Science","2020","","","","","10.1039/D0SC03647A","","","0.71075","MoKα","","0.0429","0.0389","","","0.1064","0.1088","","","","","","1.074","","","","has coordinates","255149","2020-10-21","18:00:00",""
"1558807","13.0644","0.001","7.055","0.0006","17.3068","0.0015","90","","94.551","0.002","90","","1590.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 N O -","- C18 H17 Br2 N O -","- C72 H68 Br8 N4 O4 -","4","1","","Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem","Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity","Chemical Science","2020","","","","","10.1039/D0SC03647A","","","0.71073","MoKα","","0.0545","0.04","","","0.0923","0.0979","","","","","","1.05","","","","has coordinates","255149","2020-10-21","18:00:00",""
"1558808","17.1885","0.0008","18.1907","0.0008","19.2773","0.0008","67.867","0.004","83.882","0.004","83.88","0.004","5537","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","A2L3Zn2","","","- C193 H180 F21 N28 O21 S19 Zn4 -","- C193 H180 F21 N28 O21 S19 Zn4 -","- C193 H180 F21 N28 O21 S19 Zn4 -","1","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.1225","0.0951","","","0.2656","0.2974","","","","","","1.036","","","","has coordinates,has disorder","255150","2020-10-21","18:00:00",""
"1558809","17.6556","0.0011","18.0529","0.0012","19.857","0.002","78.743","0.008","75.912","0.008","79.512","0.005","5960.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H105 Cd2 F12 N15 O12 S10 -","- C105 H105 Cd2 F12 N15 O12 S10 -","- C210 H210 Cd4 F24 N30 O24 S20 -","2","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.2064","0.1205","","","0.2045","0.2296","","","","","","1.034","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558810","21.3852","0.0006","18.216","0.0003","28.8807","0.0004","90","","91.739","0.002","90","","11245.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","A2L3Zn2-uv","","","- C97 H90 F12 N14 O12 S10 Zn2 -","- C97 H90 F12 N14 O12 S10 Zn2 -","- C388 H360 F48 N56 O48 S40 Zn8 -","4","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.1109","0.0914","","","0.2692","0.3","","","","","","1.048","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558811","21.057","0.0009","15.0503","0.0003","34.322","0.003","90","","90.522","0.006","90","","10876.7","1.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","A2L3-R","","","- C93 H102 N14 S6 -","- C93 H102 N14 S6 -","- C372 H408 N56 S24 -","4","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.2304","0.2016","","","0.4995","0.5148","","","","","","0.906","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558812","24.6968","0.0007","9.9776","0.0003","9.3115","0.0002","90","","93.975","0.002","90","","2288.97","0.11","161","17","161","17","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O2 S2 -","- C27 H22 N2 O2 S2 -","- C108 H88 N8 O8 S8 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.0367","0.0345","","","0.0928","0.0947","","","","","","1.056","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558813","22.315","0.0013","12.4269","0.0005","8.2043","0.0005","90","","92.884","0.005","90","","2272.2","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C-PADTE","","","- C27 H22 N2 O2 S2 -","- C27 H22 N2 O2 S2 -","- C108 H88 N8 O8 S8 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.0819","0.0624","","","0.1505","0.1658","","","","","","1.034","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558814","13.5418","0.0001","13.5418","0.0001","66.0707","0.0008","90","","90","","90","","12116.1","0.19","150","0.1","150","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","A2L3Cd2","","","- C109 H111 Cd2 F12 N17 O12 S10 -","- C109 H111 Cd2 F12 N17 O12 S10 -","- C436 H444 Cd8 F48 N68 O48 S40 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.1046","0.0978","","","0.261","0.2706","","","","","","1.024","","","","has coordinates,has disorder","255150","2020-10-21","18:00:00",""
"1558819","10.0128","0.0019","19.991","0.004","18.021","0.003","90","","100.403","0.002","90","","3547.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H96 K2 O14 -","- C80 H96 K2 O14 -","- C160 H192 K4 O28 -","2","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.0891","0.0541","","","0.0971","0.1099","","","","","","1.077","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558820","13.362","0.0005","14.3577","0.0005","19.7293","0.0007","104.73","0.001","103.035","0.001","108.151","0.001","3281.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H184 K2 O27 -","- C136 H144 K2 O22 -","- C136 H144 K2 O22 -","1","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","x-ray","0.61992","synchrotron","","0.0852","0.0794","","","0.2462","0.2534","","","","","","1.066","","","","has coordinates","255226","2020-10-21","18:00:00",""
"1558821","16.905","0.0016","18.2916","0.0017","24.694","0.002","90","","90","","90","","7635.9","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C92 H104 K2 O14 -","- C92 H104 K2 O14 -","- C368 H416 K8 O56 -","4","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.1086","0.0698","","","0.1308","0.1455","","","","","","1.089","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558822","7.0648","0.0004","26.4382","0.0014","45.215","0.003","90","","90","","90","","8445.3","0.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Fe2(bdp)3(DMF)0.58","Fe2(bdp)3","","- C39.44 H32.02 Fe2 N13.14 O1.15 -","- C39.432 H32.008 Fe2 N13.144 O1.144 -","- C315.456 H256.064 Fe16 N105.152 O9.152 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.8856","synchrotron","","0.0857","0.0718","","","0.2025","0.2123","","","","","","1.141","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558823","7.0813","0.0016","26.493","0.007","45.483","0.012","90","","90","","90","","8533","4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Na0.5Fe2(bdp)3","Na0.5Fe2(bdp)3","","- C36 H24 Fe2 N12 Na0.51 -","- C36 H24 Fe2 N12 Na0.492 -","- C288 H192 Fe16 N96 Na3.936 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0674","0.0542","","","0.158","0.1677","","","","","","1.099","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558824","7.081","0.003","26.535","0.009","45.388","0.019","90","","90","","90","","8528","6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","K2Fe2(bdp)3","K2Fe2(bdp)3","","- C36 H24 Fe2 K2.01 N12 -","- C36 H24 Fe2 K2.04 N12 -","- C288 H192 Fe16 K16.32 N96 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0606","0.0504","","","0.1394","0.1457","","","","","","1.143","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558825","7.0835","0.0003","26.4668","0.0012","45.398","0.002","90","","90","","90","","8511.1","0.6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Na2Fe2(bdp)3","Na2Fe2(bdp)3","","- C36 H24 Fe2 N12 Na2.04 -","- C36 H24 Fe2 N12 Na2.06 -","- C288 H192 Fe16 N96 Na16.48 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0713","0.0568","","","0.1618","0.1747","","","","","","1.08","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558826","7.0748","0.0003","26.4454","0.0009","45.3279","0.0017","90","","90","","90","","8480.7","0.6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Li2Fe2(bdp)3","Li2Fe2(bdp)3","","- C36 H24 Fe2 Li2 N12 -","- C36 H24 Fe2 Li2 N12 -","- C288 H192 Fe16 Li16 N96 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0731","0.0599","","","0.1766","0.1918","","","","","","1.166","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558827","11.823","0.011","14.91","0.02","17.77","0.03","66.73","0.06","84.29","0.05","75.73","0.05","2789","7","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N3 O4 S2 -","- C17 H21 N3 O4 S2 -","- C102 H126 N18 O24 S12 -","6","3","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","neutron","1.54178","CuKα","","0.0743","0.0605","","","0.1656","0.1779","","","","","","1.045","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558828","8.685","0.003","8.736","0.004","9.845","0.004","93.793","0.012","115.772","0.009","100.572","0.012","652.2","0.5","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C26 H32 N4 O6 S2 -","2","1","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","x-ray","0.71073","MoKα","","0.0564","0.0377","","","0.0925","0.099","","","","","","1.024","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558829","9.3649","0.0006","16.1291","0.0011","15.8386","0.0008","90","","103.398","0.002","90","","2327.3","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N4 O5 S3 -","- C21 H26 N4 O5 S3 -","- C84 H104 N16 O20 S12 -","4","1","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","x-ray","0.71073","MoKα","","0.0708","0.0376","","","0.0751","0.0802","","","","","","0.997","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558832","10.4796","0.0005","14.267","0.0006","17.0118","0.0008","96.742","0.004","90.464","0.004","101.225","0.004","2476.3","0.2","89.9","0.4","89.9","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2 -","- C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2 -","- C60.7 H85.4 Ag2 Cl1.4 F12 O8 P16 Sb2 Ta4 -","2","1","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","1.54178","CuKα","","0.0907","0.0671","","","0.1705","0.1823","","","","","","0.996","","","","has coordinates,has disorder","255277","2020-10-21","18:00:00",""
"1558833","19.22628","0.00009","19.22628","0.00009","26.5819","0.0002","90","","90","","90","","9826","0.1","89.9","0.4","89.9","0.4","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C240 H336 Ag16 F96 O32 P64 Sb16 Ta16 -","16","2","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","1.54178","CuKα","","0.036","0.03","","","0.0611","0.062","","","","","","0.951","","","","has coordinates","255277","2020-10-21","18:00:00",""
"1558834","17.95491","0.00012","22.5635","0.00018","38.3495","0.0004","81.1581","0.0007","78.416","0.0007","73.772","0.0007","14534.6","0.2","80","2","80","2","","","","","","","","11","P -1","-P 1","2","","","","- C164.25 H238.5 Ag8 Cl7.5 F48 N9 O16 P36 Sb8 Se3 Ta8 -","- C164.25 H238.5 Ag8 Cl7.5 F46.995 N9 O16 P36 Sb7.9975 Se3 Ta8 -","- C328.5 H477 Ag16 Cl15 F93.99 N18 O32 P72 Sb15.995 Se6 Ta16 -","2","1","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","0.6888","synchrotron","","0.0954","0.0895","","","0.2777","0.2874","","","","","","1.085","","","","has coordinates,has disorder","255277","2020-10-21","18:00:00",""
"1558835","16.5576","0.0006","13.6347","0.0006","35.072","0.0016","90","","90","","90","","7917.8","0.6","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H90 Br6 N14 O10 Zn3 -","- C64 H90 Br6 N14 O10 Zn3 -","- C256 H360 Br24 N56 O40 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.064","0.0539","","","0.1291","0.1386","","","","","","1.043","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558836","33.1022","0.0015","13.6273","0.0004","16.0057","0.0005","90","","90","","90","","7220.1","0.5","173","2","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H78 Br6 N10 O10 Zn3 -","- C60 H78 Br6 N10 O10 Zn3 -","- C240 H312 Br24 N40 O40 Zn12 -","4","0.5","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","1.54184","CuKα","","0.0829","0.0661","","","0.1293","0.1365","","","","","","1.158","","","","has coordinates,has disorder","257401","2020-10-21","18:00:00",""
"1558837","15.889","0.002","13.4934","0.0013","33.29","0.008","90","","90","","90","","7137","2","100","0.6","100","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H62 Br6 N6 O8 Zn3 -","- C50 H62 Br6 N6 O8 Zn3 -","- C200 H248 Br24 N24 O32 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1326","0.1125","","","0.2757","0.2923","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558838","15.659","0.003","13.6267","0.0018","32.01","0.002","90","","90","","90","","6830.3","1.6","99.9","0.6","99.9","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1333","0.1275","","","0.2571","0.26","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558839","15.4998","0.0006","25.3392","0.0011","27.2058","0.0008","90","","90","","90","","10685.1","0.7","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Br6 N8 O6 Zn3 -","- C44 H48 Br6 N8 O6 Zn3 -","- C352 H384 Br48 N64 O48 Zn24 -","8","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.1292","0.0708","","","0.1452","0.1698","","","","","","1.052","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558840","16.3631","0.0003","13.1544","0.0002","30.779","0.0005","90","","90","","90","","6625.08","0.19","100","0.7","100","0.7","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1197","0.1073","","","0.2277","0.2351","","","","","","1.038","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558842","4.9815","0.0002","30.3259","0.0019","8.9413","0.0004","90","","93.776","0.004","90","","1347.82","0.12","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nicotineamide adipic","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Germann, Luzia S.; Arhangelskis, Mihails; Etter, Martin; Dinnebier, Robert E.; Friščić, Tomislav","Challenging the Ostwald rule of stages in mechanochemical cocrystallisation","Chemical Science","2020","","","","","10.1039/D0SC03629C","powder diffraction","","1.5406","CuKα~1~","","0.99","","","","","","","","5.79","","","","","","","has coordinates","255301","2020-10-21","18:00:00",""
"1558843","21.23","0.002","14.206","0.001","18.083","0.002","90","","124.97","0.004","90","","4469.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 F10 N2 O Ta2 -","- C32 H72 F10 N2 O Ta2 -","- C128 H288 F40 N8 O4 Ta8 -","4","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.0966","0.0439","","","0.076","0.0963","","","","","","1.152","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558844","9.8905","0.0007","14.2131","0.0007","15.3276","0.0015","90","","91.104","0.006","90","","2154.3","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 F6 N Ta -","- C16 H36 F6 N Ta -","- C64 H144 F24 N4 Ta4 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.0617","0.0539","","","0.1654","0.1771","","","","","","1.163","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558845","7.8356","0.0009","10.993","0.001","13.558","0.002","90.28","0.01","80.09","0.01","77.836","0.008","1123.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 F10 O Se12 Ta2 -","- C30 H36 F10 O Se12 Ta2 -","- C30 H36 F10 O Se12 Ta2 -","1","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.052","0.0287","","","0.0544","0.0617","","","","","","1.087","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558846","7.813","0.0001","10.96","0.001","13.091","0.001","86.153","0.007","78.048","0.004","77.49","0.01","1070.36","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 F10 O S12 Ta2 -","- C30 H36 F10 O S12 Ta2 -","- C30 H36 F10 O S12 Ta2 -","1","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.0561","0.0367","","","0.1062","0.1277","","","","","","1.078","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558847","12.5633","0.0006","10.7252","0.0009","34.292","0.002","90","","93.226","0.005","90","","4613.3","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F10 O S18 Ta2 -","- C30 H30 F10 O S18 Ta2 -","- C120 H120 F40 O4 S72 Ta8 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.163","0.0952","","","0.2044","0.2456","","","","","","1.046","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558848","12.615","0.001","11.984","0.001","16.747","0.001","90","","90.234","0.009","90","","2531.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H24 F10 O S24 Ta2 -","- C30 H24 F10 O S24 Ta2 -","- C60 H48 F20 O2 S48 Ta4 -","2","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.2169","0.065","","","0.074","0.0942","","","","","","0.961","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558849","10.8773","0.0002","12.6267","0.0002","34.4236","0.0008","90","","90","","90","","4727.89","0.16","295","0.3","295","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 F10 O S18 Ta2 -","- C30 H30 F10 O S18 Ta2 -","- C120 H120 F40 O4 S72 Ta8 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.0545","0.0438","","","0.1004","0.1072","","","","","","1.067","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558850","6.9513","0.0019","20.343","0.007","22.59","0.006","90","","90","","90","","3194.5","1.6","100","","100.1","","","","","","","","","4","I m m m","-I 2 2","71","","Ph4PDI_PXX","","- C78 H56 N2 O6 -","- C77 H57 N2 O6 -","- C154 H114 N4 O12 -","2","0.125","","Wasielewski, Michael R.; Schlesinger, Itai; Powers-Riggs, Natalia E; Logsdon, Jenna L.; Qi, Yue; Miller, Stephen A.; Tempelaar, Roel; Young, Ryan Michael","Charge-Transfer Biexciton Annihilation in a Donor-Acceptor Co-crystal yields High-Energy Long-Lived Charge Carriers","Chemical Science","2020","","","","","10.1039/D0SC03301D","","","1.54178","CuKα","","0.138","0.1087","","","0.3982","0.4373","","","","","","1.881","","","","has coordinates,has disorder","255303","2020-10-21","18:00:00",""
"1558851","10.7961","0.0004","11.0539","0.0005","13.2535","0.0006","92.008","0.002","113.595","0.002","110.629","0.002","1327.6","0.1","143","2","143","2","","","","","","","","5","P -1","-P 1","2","[Co(II)(TBDAP)(Hydroxamate)](NO3)","","","- C24 H36 Co N6 O5 -","- C24 H36 Co N6 O5 -","- C48 H72 Co2 N12 O10 -","2","1","","Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung","Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes","Chemical Science","2020","","","","","10.1039/D0SC02676J","","","0.71073","MoKa","","0.0519","0.0371","","","0.081","0.0909","","","","","","1.047","","","","has coordinates","255304","2020-10-21","18:00:00",""
"1558852","11.26","0.018","11.588","0.019","14.33","0.02","69.62","0.06","75.44","0.03","80.18","0.07","1689","5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[Zn(Me3-TACN)(CH3C(O)NHO)](NO3)","","","- C36 H49 B N4 O3 Zn -","- C36 H49 B N4 O3 Zn -","- C72 H98 B2 N8 O6 Zn2 -","2","1","","Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung","Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes","Chemical Science","2020","","","","","10.1039/D0SC02676J","","","0.71073","MoKa","","0.082","0.0448","","","0.1129","0.1364","","","","","","0.825","","","","has coordinates","255304","2020-10-21","18:00:00",""
"1558857","25.07149","0.00013","25.07149","0.00013","11.09028","0.00007","90","","90","","120","","6037.17","0.06","123","","123","","","","","","","","","2","R 3 :H","R 3","146","","","","- C25 H13 -","- C25 H13 -","- C225 H117 -","9","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0594","0.0593","","","0.1696","0.1699","","","","","","1.085","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558858","11.6264","0.0002","30.039","0.0004","26.9101","0.0004","90","","90","","90","","9398.2","0.2","123","","123","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C50 H28 -","- C50 H28 -","- C400 H224 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0678","0.0619","","","0.1934","0.1999","","","","","","1.043","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558859","23.1826","0.0001","23.1826","0.0001","44.5679","0.0005","90","","90","","90","","23952.3","0.3","123","","123","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C132 H78 -","- C132 H78 -","- C1056 H624 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0855","0.065","","","0.1795","0.1963","","","","","","1.045","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558861","7.5298","0.0004","13.7545","0.0007","14.0687","0.0006","119.276","0.004","101.02","0.006","89.974","0.006","1240.15","0.12","300","","300.15","","","","","","","","","6","P -1","-P 1","2","RbCo[W(CN)8](3CNpy)2_HT_phase","RbCoW_3CNpy_HT_phase","","- C20 H8 Co N12 Rb W -","- C20 H8 Co N12 Rb W -","- C40 H16 Co2 N24 Rb2 W2 -","2","1","","Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi","Extremely low-frequency phonon material and its temperature- and photo-induced switching effects","Chemical Science","2020","","","","","10.1039/D0SC02605K","","","0.71073","MoKα","","0.1152","0.0829","","","0.126","0.1352","","","","","","1.14","","","","has coordinates,has disorder","255412","2020-10-21","18:00:00",""
"1558862","7.2253","0.0014","13.34","0.003","13.839","0.003","118.671","0.008","100.497","0.007","90.1","0.006","1144.6","0.4","130","2","130.15","","","","","","","","","6","P -1","-P 1","2","RbCo[W(CN)8](3CNpy)2_LT_phase","RbCoW3CNpy_LT_phase","","- C20 H8 Co N12 Rb W -","- C20 H8 Co N12 Rb W -","- C40 H16 Co2 N24 Rb2 W2 -","2","1","","Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi","Extremely low-frequency phonon material and its temperature- and photo-induced switching effects","Chemical Science","2020","","","","","10.1039/D0SC02605K","","","0.71075","MoKα","","0.1424","0.1105","","","0.169","0.1797","","","","","","1.172","","","","has coordinates,has disorder","255412","2020-10-21","18:00:00",""
"1558863","41.171","0.005","41.171","0.005","41.171","0.005","90","","90","","90","","69787","15","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O43 S6 -","- C360 H648 Au36 Co24 N72 Na40 O516 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1915","0.097","","","0.2577","0.3054","","","","","","0.885","","","","has coordinates,has disorder","255413","2020-10-21","18:00:00",""
"1558864","41.407","0.003","41.407","0.003","41.407","0.003","90","","90","","90","","70994","9","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O45 S6 -","- C360 H648 Au36 Co24 N72 Na40 O540 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","0.4248","synchrotron","","0.0907","0.0479","","","0.0941","0.1093","","","","","","0.923","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1558865","39.2235","0.0011","39.2235","0.0011","39.2235","0.0011","90","","90","","90","","60345","3","100","2","100","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C30 H54 Au3 Co2 N6 Na3.33 O28 S6 -","- C30 H54 Au3 Co2 N6 Na3.33327 O28.0001 S6 -","- C720 H1296 Au72 Co48 N144 Na79.9984 O672.002 S144 -","24","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","0.4248","synchrotron","","0.0215","0.0213","","","0.0545","0.0548","","","","","","1.081","","","","has coordinates,has disorder","255413","2020-10-21","18:00:00",""
"1558866","48.57","0.008","28.05","0.008","52.051","0.01","90","0.04","97.93","0.04","90","0.03","70236","3","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C1512 H2452 Au36 Co24 N72 Na40 O1206 S72 -","4","1","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1974","0.0809","","","0.1746","0.2033","","","","","","0.866","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1558870","11.3771","0.001","8.7126","0.0006","10.1258","0.0008","90","","107.359","0.009","90","","958","0.14","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C36 H56 O16 -","4","1","","Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata","A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity","Chemical Science","2020","","","","","10.1039/D0SC03144E","","x-ray","0.71073","MoKα","","0.0874","0.0557","","","0.12","0.1444","","","","","","1.053","","","","has coordinates","255461","2020-10-21","18:00:00",""
"1558871","11.4234","0.0004","12.9659","0.0005","15.7183","0.0006","90.714","0.003","97.035","0.003","107.564","0.004","2199.86","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 O12 Pd3 -","- C36 H66 O12 Pd3 -","- C72 H132 O24 Pd6 -","2","1","","Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata","A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity","Chemical Science","2020","","","","","10.1039/D0SC03144E","","x-ray","0.71073","MoKα","","0.0437","0.0321","","","0.067","0.0736","","","","","","1.036","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558872","8.4648","0.0001","15.9282","0.0002","16.6678","0.0002","90","","90","","90","","2247.3","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N3 O6 -","- C23 H24 Cl N3 O6 -","- C92 H96 Cl4 N12 O24 -","4","1","","Cala, Lara; Villar, Pedro; de Lera, Ángel R.; Fañanás, Francisco J.; Álvarez, Rosana; Rodríguez, Félix","Multicomponent and multicatalytic asymmetric synthesis of furo[2,3-b]pyrrole derivatives: further insights into the mode of action of chiral phosphoric acid catalysts","Chemical Science","2020","","","","","10.1039/D0SC03342A","","x-ray","1.54184","CuKα","","0.0271","0.0266","","","0.0678","0.0683","","","","","","1.069","","","","has coordinates","255462","2020-10-21","18:00:00",""
"1558873","19.0452","0.0004","7.53882","0.00012","18.2425","0.0004","90","","110.706","0.002","90","","2450.04","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl F3 N2 O3 -","- C24 H36 Cl F3.0009 N2 O3 -","- C96 H144 Cl4 F12.0036 N8 O12 -","4","1","","Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael","Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter","Chemical Science","2020","","","","","10.1039/D0SC02777D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0458","0.0394","","","0.1019","0.1066","","","","","","1.066","","","","has coordinates,has disorder","255463","2020-10-21","18:00:00",""
"1558874","10.4481","0.0003","13.0857","0.0004","21.6967","0.0008","90.279","0.003","98.533","0.003","100.758","0.002","2880.37","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Cl F3 N3 O4 -","- C27 H43 Cl F3 N3 O4 -","- C108 H172 Cl4 F12 N12 O16 -","4","2","","Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael","Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter","Chemical Science","2020","","","","","10.1039/D0SC02777D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0549","0.0406","","","0.1042","0.1141","","","","","","1.027","","","","has coordinates,has disorder","255463","2020-10-21","18:00:00",""
"1558885","9.8643","0.0019","9.9442","0.0019","10.655","0.002","90","","112.053","0.004","90","","968.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 Pt -","- C22 H18 N6 Pt -","- C44 H36 N12 Pt2 -","2","0.5","","Sengupta, Debabrata; Goswami, Sreetosh; Banerjee, Rajdeep; Guberman-Pfeffer, Matthew J.; Patra, Abhijeet; Dutta, Anirban; Pramanick, Rajib; Narasimhan, Shobhana; Pradhan, Narayan; Batista, Victor; Venkatesan, T.; Goswami, Sreebrata","Size-selective Pt siderophores based on redox active azo-aromatic ligands","Chemical Science","2020","","","","","10.1039/D0SC02683B","","","0.71073","MoKα","","0.0294","0.0229","","","0.0612","0.0692","","","","","","0.856","","","","has coordinates","255502","2020-10-21","18:00:00",""
"1558886","9.7658","0.0018","27.696","0.006","20.719","0.004","90","","102.38","0.007","90","","5473.6","1.9","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H61 Al Br Cl4 N4 O P -","- C60 H61 Al Br Cl4 N4 O P -","- C240 H244 Al4 Br4 Cl16 N16 O4 P4 -","4","1","","Sigmund, Lukas M.; Greb, Lutz","Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate","Chemical Science","2020","","","","","10.1039/D0SC03602A","","","0.71073","MoKα","","0.0553","0.0472","","","0.1251","0.1338","","","","","","1.079","","","","has coordinates","255503","2020-10-21","18:00:00",""
"1558887","9.776","0.0009","25.127","0.002","11.0644","0.001","90","","90","","90","","2717.9","0.4","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H39 Al N4 O -","- C30 H39 Al N4 O -","- C120 H156 Al4 N16 O4 -","4","1","","Sigmund, Lukas M.; Greb, Lutz","Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate","Chemical Science","2020","","","","","10.1039/D0SC03602A","","","0.71073","MoKα","","0.0471","0.0364","","","0.0792","0.0852","","","","","","1.035","","","","has coordinates","255503","2020-10-21","18:00:00",""
"1558888","16.4547","0.0015","19.5818","0.0018","23.333","0.002","108.507","0.005","108.814","0.005","92.156","0.005","6665.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Ce Lu2 N17 O21 -","- C160 H124 Ce Lu2 N17 O21 -","- C320 H248 Ce2 Lu4 N34 O42 -","2","1","","Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano","A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction","Chemical Science","2020","","","","","10.1039/D0SC03107K","","","0.71073","MoKα","","0.0779","0.0495","","","0.1229","0.1436","","","","","","1.051","","","","has coordinates","255504","2020-10-21","18:00:00",""
"1558889","16.218","0.002","19.459","0.003","23.331","0.003","108.404","0.006","108.158","0.005","91.61","0.006","6572.8","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Er2 La N17 O21 -","- C135 H99 Er2 La N12 O21 -","- C270 H198 Er4 La2 N24 O42 -","2","1","","Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano","A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction","Chemical Science","2020","","","","","10.1039/D0SC03107K","","","0.7749","synchrotron","","0.1661","0.108","","","0.273","0.3049","","","","","","1.103","","","","has coordinates","255504","2020-10-21","18:00:00",""
"1558894","25.6854","0.001","20.829","0.0009","40.6993","0.0018","90","","90","","90","","21774.2","1.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 H151 Cr2 N9 O6 P4 -","- C112 H150 Cr2 N9 O6 P4 -","- C896 H1200 Cr16 N72 O48 P32 -","8","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","0.71073","MoKα","","0.2201","0.0827","","","0.1721","0.2301","","","","","","0.979","","","","has coordinates","255569","2020-10-21","18:00:00",""
"1558895","12.5935","0.0003","16.7577","0.0004","21.329","0.0005","95.414","0.001","99.551","0.001","92.236","0.001","4412.18","0.18","135","2","135","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H85 B Cr F24 N4 O3 P2 -","- C87 H85 B Cr F24 N4 O3 P2 -","- C174 H170 B2 Cr2 F48 N8 O6 P4 -","2","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","1.54178","CuKα","","0.0601","0.0434","","","0.1033","0.1126","","","","","","1.023","","","","has coordinates,has disorder","255569","2020-10-21","18:00:00",""
"1558902","46.45","0.005","46.45","0.005","46.45","0.005","90","","90","","90","","100221","19","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-147","","- C44 H20 Cu2 N2 O10 -","- C44 H20 Cu2 N2 O10 -","- C1056 H480 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1082","0.0626","","","0.1862","0.2344","","","","","","0.981","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558903","49.76","0.006","49.76","0.006","49.76","0.006","90","","90","","90","","123209","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-161","","- C42 H22 Cu2 N2 O10 -","- C42 H22 Cu2 N2 O10 -","- C1008 H528 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0869","0.0555","","","0.1714","0.2094","","","","","","1.016","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558904","23.11","0.003","23.11","0.003","49.6","0.01","90","","90","","120","","22941","6","293","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","DUT-159","","- C36 H20 Cu2 N2 O10 -","- C36 H20 Cu2 N2 O10 -","- C324 H180 Cu18 N18 O90 -","9","0.25","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0745","0.0579","","","0.2003","0.2252","","","","","","0.972","","","","has coordinates","255612","2020-10-21","18:00:00",""
"1558905","49.59","0.006","49.59","0.006","49.59","0.006","90","","90","","90","","121950","3","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-162","","- C42 H24 Cu2 N2 O10 -","- C42 H24 Cu2 N2 O10 -","- C1008 H576 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1467","0.067","","","0.1932","0.2603","","","","","","0.917","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558906","46.54","0.005","46.54","0.005","46.54","0.005","90","","90","","90","","100804","19","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-148","","- C42 H22 Cu2 N2 O10 -","- C42 H22 Cu2 N2 O10 -","- C1008 H528 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1102","0.0676","","","0.2043","0.249","","","","","","1.021","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558907","50.11","0.006","50.11","0.006","50.11","0.006","90","","90","","90","","125827","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-160","","- C42 H20 Cu2 N2 O10 -","- C42 H20 Cu2 N2 O10 -","- C1008 H480 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0755","0.0577","","","0.1921","0.2254","","","","","","1.083","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558908","12.6462","0.0001","17.8817","0.0001","25.2987","0.0002","90","","90","","90","","5720.94","0.07","150","2","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R,2'R)-2,2'-((3,7-dimethoxybenzo[1,2-b:4,5-b']dithiophene-2,6-dicarbonyl)bis(azanediyl))bis(3-(tritylthio)propanoic acid)","","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C244.8 H211.2 F19.2 N8 O38.4 S16 -","4","1","","Gianga, Tiberiu-M; Audibert, Edwige; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Discovery of an all-donor aromatic [2]catenane","Chemical Science","2020","","","","","10.1039/D0SC04317F","","x-ray","1.54184","CuKα","","0.0404","0.0378","","","0.0962","0.0984","","","","","","1.034","","","","has coordinates,has disorder","255613","2020-10-21","18:00:00",""
"1558952","12.498","0.012","13.717","0.014","22.91","0.02","102.965","0.012","101.501","0.014","99.116","0.018","3665","6","120","2","120.35","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Co N4 O27 S20 -","- C56 H58 Co N4 O27 S20 -","- C112 H116 Co2 N8 O54 S40 -","2","1","","Shen, Yongbing; Yamashita, Masahiro; Breedlove, Brian. K.; Herrmann, Carmen; Uchida, Kaiji; Cosquer, Goulven; Ishikawa, Manabu; Otsuka, Akihiro; Yoshina, Shinji K.; Yoshida, Takefumi; Yamochi, Hideki; Katagiri, Seiu; Ito, Hiroshi; Zhang, Haitao","Simultaneous Manifestations of Metallic Conductivity and Single-Molecule Magnetism in a Layered Molecule-based Compound","Chemical Science","2020","","","","","10.1039/D0SC04040A","","","0.71075","MoKα","","0.119","0.0711","","","0.1751","0.2209","","","","","","1.0266","","","","has coordinates","255788","2020-10-21","18:00:00",""
"1558957","11.2099","0.0001","17.2004","0.0002","21.3573","0.0002","90","","98.838","0.001","90","","4069.11","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H63 O2.5 P2 -","- C44 H63 O2.5 P2 -","- C176 H252 O10 P8 -","4","1","","Qiu, Haile; Dai, Qiang; He, Jiafeng; Li, Wenbo; Zhang, Junliang","Access to P-Chiral sec- and tert-Phosphine Oxides Enabled by Le-Phos-Catalyzed Asymmetric Kinetic Resolution","Chemical Science","2020","","","","","10.1039/D0SC04041J","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0701","0.0702","","","","","","1.028","","","","has coordinates","255810