# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-21T11:10:41+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 volume = 5 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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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","301776","2025-08-18","14:47:46",""
"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",""
"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","301776","2025-08-18","14:47:48",""
"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","301776","2025-08-18","14:47:48",""
"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","301776","2025-08-18","14:47:48",""
"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","301776","2025-08-18","14:47:48",""
"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","301776","2025-08-18","14:47:48",""
"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","301776","2025-08-18","14:47:48",""
"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","301776","2025-08-18","14:47:48",""
"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",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:49",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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","301776","2025-08-18","14:47:50",""
"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",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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",""
"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",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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",""
"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","301780","2025-08-18","21:43:29",""
"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","301780","2025-08-18","21:43:29",""
"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","301780","2025-08-18","21:43:29",""