# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:29:25+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 'Catalysis science & technology') 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
"1513596","8.9413","0.0006","15.7005","0.001","17.7436","0.0011","90","","90","","90","","2490.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F6 Fe N4 O6 S2 -","- C17 H26 F6 Fe N4 O6 S2 -","- C68 H104 F24 Fe4 N16 O24 S8 -","4","1","","Spannring, Peter; Prat, Irene; Costas, Miquel; Lutz, Martin; Bruijnincx, Pieter C. A.; Weckhuysen, Bert. M.; Klein Gebbink, Robertus J. M.","Fe(6-Me-PyTACN)-catalyzed, one-pot oxidative cleavage of methyl oleate and oleic acid into carboxylic acids with H2O2 and NaIO4","Catalysis Science & Technology","2014","4","3","708","","10.1039/c3cy00851g","","","0.71073","MoKα","","0.029","0.025","","","0.0559","0.0576","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513597","8.964","0.004","9.189","0.004","11.432","0.005","69.34","0.02","89.43","0.02","80.99","0.02","869.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 O5 -","- C16.5 H14 N4 O5 -","- C33 H28 N8 O10 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1578","0.0986","","","0.2769","0.3321","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513598","7.8507","0.0019","8.48","0.002","15.77","0.004","96.715","0.008","90.412","0.009","109.096","0.008","984.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N2 O7 -","- C20 H18 N2 O7 -","- C40 H36 N4 O14 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1119","0.0758","","","0.2079","0.2487","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513599","8.549","0.005","11.18","0.005","12.73","0.005","91.165","0.005","104.363","0.005","110.189","0.005","1098.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O7 -","- C22 H22 N4 O7 -","- C44 H44 N8 O14 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1002","0.0699","","","0.1858","0.2153","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513600","9.3603","0.001","17.4152","0.0019","18.206","0.002","90","","90","","90","","2967.8","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0896","0.0814","","","0.1632","0.1661","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513601","9.3527","0.0019","17.384","0.003","18.184","0.004","90","","90","","90","","2956.5","1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0843","0.0777","","","0.1693","0.1728","","","","","","1.234","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513602","10.2529","0.0012","12.602","0.0015","16.39","0.002","73.082","0.002","87.303","0.002","89.419","0.002","2023.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H65 Cl N2 O3 Rh Si -","- C38.04 H57.517 Cl N2 O3 Rh Si -","- C76.08 H115.034 Cl2 N4 O6 Rh2 Si2 -","2","1","","Lázaro, Guillermo; Fernández-Alvarez, Francisco J.; Iglesias, Manuel; Horna, Cristina; Vispe, Eugenio; Sancho, Rodrigo; Lahoz, Fernando J.; Iglesias, Marta; Pérez-Torrente, Jesús J.; Oro, Luis A.","Heterogeneous catalysts based on supported Rh‒NHC complexes: synthesis of high molecular weight poly(silyl ether)s by catalytic hydrosilylation","Catalysis Science & Technology","2014","4","1","62","","10.1039/c3cy00598d","","","0.71073","MoKα","","0.0772","0.0545","","","0.1325","0.146","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513603","11.754","0.003","28.117","0.004","30.475","0.005","84.09","0.03","84.78","0.03","87.29","0.03","9969","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl4 Fe2 N8 O23 -","- C36 H42 Cl4 Fe2 N8 O23 -","- C288 H336 Cl32 Fe16 N64 O184 -","8","4","","Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata","A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies","Catalysis Science & Technology","2014","4","1","30","","10.1039/c3cy00644a","","","0.71073","MoKα","","0.1393","0.0401","","","0.0605","0.0711","","","","","","0.607","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513604","19.3405","0.0008","11.3692","0.0003","25.8709","0.0008","90","","90","","90","","5688.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Cl3 N6 O6 Ru -","- C27 H22 Cl3 N6 O6 Ru -","- C216 H176 Cl24 N48 O48 Ru8 -","8","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.0752","0.0433","","","0.0905","0.1038","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513605","26.0256","0.0014","52.12","0.003","28.8286","0.0014","90","","91.92","0.002","90","","39083","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C268 H204 Cl4 F96 N48 P16 Ru8 -","- C268 H204 Cl4 F96 N48 P16 Ru8 -","- C1072 H816 Cl16 F384 N192 P64 Ru32 -","4","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.1179","0.0743","","","0.1663","0.1816","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514273","12.669","0.004","12.248","0.004","31.45","0.01","90","","90.014","0.006","90","","4880","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","palladium(II)carbene","","","- C55 H55 Cl2 N2 P Pd -","- C55 H55 Cl2 N2 P Pd -","- C220 H220 Cl8 N8 P4 Pd4 -","4","2","","Crawford, Katherine A.; Cowley, Alan H.; Humphrey, Simon M.","Bis(imino)acenaphthene (BIAN)-supported palladium(ii) carbene complexes as effective C‒C coupling catalysts and solvent effects in organic and aqueous media","Catalysis Science & Technology","2014","4","5","1456","","10.1039/c4cy00192c","","","0.71073","MoKα","","0.0823","0.0767","","","0.1611","0.1644","","","","","","1.288","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514340","10.5425","0.0007","11.9183","0.0008","11.4221","0.0008","90","","108.364","0.004","90","","1362.08","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 O4 Si2 -","- C8 H18 O4 Si2 -","- C32 H72 O16 Si8 -","4","1","","Feghali, Elias; Jacquet, Olivier; Thuéry, Pierre; Cantat, Thibault","Catalytic hydrosilylation of oxalic acid: chemoselective formation of functionalized C2-products","Catalysis Science & Technology","2014","4","8","2230","","10.1039/c4cy00339j","","","0.71073","MoKα","","0.0552","0.04","","","0.0999","0.106","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514374","10.919","0.0007","23.8725","0.0014","4.8372","0.0003","90","","90","","90","","1260.88","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O4 Pd -","- C13 H12 N2 O4 Pd -","- C52 H48 N8 O16 Pd4 -","4","1","","Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J.","N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation","Catalysis Science & Technology","2014","4","8","2526","","10.1039/c4cy00296b","","","0.71073","MoKα","","0.062","0.0486","","","0.0985","0.1057","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514375","19.681","0.003","7.1866","0.0008","20.443","0.003","90","","107.332","0.002","90","","2760.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O5 Pd S -","- C12 H12 N2 O5 Pd S -","- C96 H96 N16 O40 Pd8 S8 -","8","2","","Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J.","N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation","Catalysis Science & Technology","2014","4","8","2526","","10.1039/c4cy00296b","","","0.71075","MoKα","","0.0449","0.0409","","","0.1027","0.106","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515395","15.8662","0.0012","13.3414","0.0011","23.2173","0.0018","90","","96.374","0.001","90","","4884.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O9 Zn -","- C22 H28 N2 O9 Zn -","- C176 H224 N16 O72 Zn8 -","8","2","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0892","0.0432","","","0.0876","0.1034","","","","","","1.005","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1515396","10.7526","0.0005","11.5952","0.0005","19.6353","0.0009","90","","100.72","0.001","90","","2405.38","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O5 S Zn -","- C22 H26 N4 O5 S Zn -","- C88 H104 N16 O20 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0245","0.0218","","","0.0563","0.0578","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515397","10.9276","0.0006","11.7495","0.0006","18.1519","0.001","90","","97.784","0.001","90","","2309.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N4 O5 S Zn -","- C20 H20 Cl2 N4 O5 S Zn -","- C80 H80 Cl8 N16 O20 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0457","0.0331","","","0.0827","0.0863","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515398","13.3344","0.0008","9.1475","0.0006","24.1887","0.0015","90","","103.983","0.001","90","","2863","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N2 O9 S Zn -","- C24 H30 Cl2 N2 O9 S Zn -","- C96 H120 Cl8 N8 O36 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0302","0.0275","","","0.065","0.0665","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515399","7.8991","0.0005","26.6878","0.0018","15.6509","0.0011","90","","97.072","0.001","90","","3274.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N2 O10 S2 Zn -","- C28 H42 N2 O10 S2 Zn -","- C112 H168 N8 O40 S8 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0829","0.0637","","","0.1765","0.1826","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516026","14.493","0.0003","10.329","0.0008","15.392","0.0003","90","","109.523","0.002","90","","2171.68","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 P2 -","- C25 H24 N2 P2 -","- C100 H96 N8 P8 -","4","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.71073","Synchrotron","","0.0383","0.0366","","","0.0947","0.096","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516027","10.216","0.0007","10.318","0.0003","14.379","0.0006","79.664","0.002","76.635","0.002","71.842","0.005","1391.7","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 N2 P2 -","- C32 H38 N2 P2 -","- C64 H76 N4 P4 -","2","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.71085","Synchrotron","","0.0415","0.039","","","0.105","0.1072","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516028","8.608","0.0007","22.505","0.0008","13.765","0.0008","90","","106.913","0.002","90","","2551.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N O P2 -","- C30 H31 N O P2 -","- C120 H124 N4 O4 P8 -","4","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7109","Synchrotron","","0.0481","0.0475","","","0.1063","0.1066","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516029","11.53","0.0008","15.337","0.0007","20.85","0.0017","90","","103.737","0.003","90","","3581.6","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33.5 H34 Cl5 N O P2 Si Ti -","- C33.5 H34 Cl5 N O P2 Si Ti -","- C134 H136 Cl20 N4 O4 P8 Si4 Ti4 -","4","2","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7108","Synchrotron","","0.0568","0.045","","","0.1102","0.1448","","","","","","1.143","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516030","8.701","0.002","10.666","0.001","13.938","0.0013","70.248","0.001","84.203","0.003","81.578","0.003","1202.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N O P2 -","- C30 H25 N O P2 -","- C60 H50 N2 O2 P4 -","2","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7108","Synchrotron","","0.0464","0.0435","","","0.1118","0.1145","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516123","6.186","0.0005","9.6029","0.0009","16.4251","0.0011","77.495","0.006","80.955","0.006","87.557","0.007","940.68","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F3 N O2 -","- C21 H20 F3 N O2 -","- C42 H40 F6 N2 O4 -","2","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing","Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one","Catalysis Science & Technology","2014","4","6","1570","","10.1039/c3cy00858d","","","0.71073","MoKα","","0.1723","0.0993","","","0.2961","0.3474","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516124","7.7051","0.0004","10.8189","0.0005","11.1726","0.0005","75.918","0.003","86.59","0.003","87.802","0.003","901.49","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C42 H46 N2 O4 -","2","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing","Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one","Catalysis Science & Technology","2014","4","6","1570","","10.1039/c3cy00858d","","","0.71073","MoKα","","0.0573","0.0469","","","0.1415","0.1522","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516125","21.5392","0.0008","14.9764","0.0006","11.0367","0.0004","90","","102.006","0.001","90","","3482.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N5 O8 S2 Zn -","- C31 H39 N5 O8 S2 Zn -","- C124 H156 N20 O32 S8 Zn4 -","4","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0669","0.041","","","0.1014","0.1171","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516126","20.7881","0.0008","19.8405","0.0008","7.4304","0.0003","90","","97.665","0.001","90","","3037.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 I N3 O4 Zn -","- C30 H40 I N3 O4 Zn -","- C120 H160 I4 N12 O16 Zn4 -","4","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0458","0.0313","","","0.08","0.0914","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516127","11.5808","0.0007","12.8843","0.0008","18.9944","0.0011","78.363","0.002","87.683","0.002","87.378","0.002","2771.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H64 Cl6 N6 O7 Zn -","- C46 H64 Cl6 N6 O7 Zn -","- C92 H128 Cl12 N12 O14 Zn2 -","2","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0839","0.0572","","","0.1473","0.1674","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516128","18.945","0.009","18.945","0.009","25.39","0.013","90","","90","","120","","7892","7","123","2","123","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C92 H126 Cl3 Cr2 Li N2 O5 -","- C78 H108 Cl3 Cr2 Li N2 O5 -","- C234 H324 Cl9 Cr6 Li3 N6 O15 -","3","0.5","","Chen, Hua; Dawe, Louise N.; Kozak, Christopher M.","Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2","Catalysis Science & Technology","2014","4","6","1547","","10.1039/c3cy01002c","","","0.71075","MoKα","","0.1351","0.1211","","","0.3154","0.3327","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516136","29.9133","0.0015","18.7802","0.0009","19.2461","0.001","90","","114.861","0.001","90","","9810.1","0.9","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C78 H64 Cl2 O2 P4 Rh2 -","- C78 H66 Cl2 O2 P4 Rh2 -","- C312 H264 Cl8 O8 P16 Rh8 -","4","0.5","","Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Rhodium diphosphine complexes: a case study for catalyst activation and deactivation","Catal. Sci. Technol.","2014","4","10","3409","","10.1039/C4CY00497C","","","0.71073","MoKα","","0.0417","0.0307","","","0.0708","0.0735","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516137","10.1367","0.0013","10.1518","0.0013","21.075","0.003","93.865","0.005","102.017","0.005","108.917","0.005","1985.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H47 Cl O2 P2 Rh -","- C49.2 H46.4 Cl O1.8 P2 Rh -","- C98.4 H92.8 Cl2 O3.6 P4 Rh2 -","2","1","","Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Rhodium diphosphine complexes: a case study for catalyst activation and deactivation","Catal. Sci. Technol.","2014","4","10","3409","","10.1039/C4CY00497C","","","1.54178","CuKα","","0.0291","0.0285","","","0.0701","0.0704","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516155","7.361","0.0009","10.0951","0.0012","10.6561","0.0014","103.037","0.01","95.097","0.01","96.205","0.01","761.67","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Al4 N2 O2 -","- C24 H46 Al4 N2 O2 -","- C24 H46 Al4 N2 O2 -","1","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.078","0.0414","","","0.0932","0.1026","","","","","","0.859","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516156","8.751","0.0007","15.3173","0.0012","10.1026","0.0008","90","","90.1329","0.0013","90","","1354.17","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Al4 N2 O2 -","- C22 H38 Al4 N2 O2 -","- C44 H76 Al8 N4 O4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.0416","0.0329","","","0.0914","0.0969","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1516157","7.1092","0.0004","21.245","0.0012","12.33","0.0007","90","","92.839","0.002","90","","1859.98","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H54 Al4 N2 O2 -","- C31 H54 Al4 N2 O2 -","- C62 H108 Al8 N4 O4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.0538","0.0386","","","0.097","0.1073","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516520","12.2189","0.0009","13.6109","0.0009","15.9826","0.0011","90","","102.501","0.005","90","","2595.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cr F3 N4 O5 -","- C27 H26 Cr F3 N4 O5 -","- C108 H104 Cr4 F12 N16 O20 -","4","1","","Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E.","Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides","Catalysis Science & Technology","2014","4","6","1652","","10.1039/c3cy01087b","","","0.71069","MoKα","","0.1607","0.0437","","","0.0743","0.1002","","","","","","0.718","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516521","9.8802","0.0004","14.1274","0.0004","19.4439","0.0009","90","","94.197","0.003","90","","2706.73","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl Cr N5 O4 -","- C28 H33 Cl Cr N5 O4 -","- C112 H132 Cl4 Cr4 N20 O16 -","4","1","","Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E.","Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides","Catalysis Science & Technology","2014","4","6","1652","","10.1039/c3cy01087b","","","0.71069","MoKα","","0.0751","0.0452","","","0.1144","0.1222","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516575","16.6243","0.0005","16.8939","0.0005","17.7667","0.0007","110.65","0.0011","107.187","0.0012","106.29","0.002","4026.5","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","[Rh(XantPhos)(H2BCH2CH2SiME3NMe3)][BArF4]","","- C79 H68 B2 F24 N O P2 Rh Si -","- C79 H68 B2 F24 N O P2 Rh Si -","- C158 H136 B4 F48 N2 O2 P4 Rh2 Si2 -","2","1","","Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S.","Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+","Catal. Sci. Technol.","2014","4","10","3486","","10.1039/C4CY00597J","","","0.71073","MoKα","","0.1182","0.086","","0.2043","0.1973","0.2043","","","","","","0.9482","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516576","12.9076","0.0001","17.803","0.0002","19.959","0.0003","87.9991","0.0005","74.6948","0.0005","87.0039","0.0006","4416.68","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","[Rh(Xantphos)(PCy3)][BArF4]","","- C89 H77 B F24 O P3 Rh -","- C89 H77 B F24 O P3 Rh -","- C178 H154 B2 F48 O2 P6 Rh2 -","2","1","","Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S.","Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+","Catal. Sci. Technol.","2014","4","10","3486","","10.1039/C4CY00597J","","","0.71073","MoKα","","0.0857","0.051","","0.1393","0.1339","0.1393","","","","","","0.9426","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517096","8.5556","0.0001","10.4982","0.0002","14.8086","0.0002","90","","90","","90","","1330.08","0.03","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Mo O5 -","- C12 H12 Mo O5 -","- C48 H48 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.021","0.0208","","","0.0542","0.0544","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517097","10.3022","0.0008","11.1065","0.0009","23.6758","0.0019","90","","90","","90","","2709","0.4","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Mo O5 -","- C13 H14 Mo O5 -","- C104 H112 Mo8 O40 -","8","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.032","0.0231","","","0.0474","0.0524","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517098","7.417","0.0002","7.6621","0.0002","34.3794","0.0009","90","","90","","90","","1953.77","0.09","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Mo O5 -","- C20 H24 Mo O5 -","- C80 H96 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.0707","0.055","","","0.0905","0.0943","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517202","8.117","0.005","7.669","0.005","28.305","0.005","90","","94.859","0.005","90","","1755.6","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl N O2 -","- C18 H24 Cl N O2 -","- C72 H96 Cl4 N4 O8 -","4","2","","Chauhan, ManMohan Singh; Yadav, Geeta Devi; Hussain, Firasat; Singh, Surendra","N-Fluorobenzenaminium tetrafluoroborate generated in situ by aniline and Selectfluor as a reusable catalyst for the ring opening of epoxides with amines under microwave irradiation","Catal. Sci. Technol.","2014","4","11","3945","","10.1039/C4CY00609G","","","0.71069","MoKα","","0.1054","0.0633","","","0.1043","0.1188","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517270","12.4064","0.0002","17.4016","0.0003","25.8891","0.0005","90","","90","","90","","5589.23","0.17","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C244 H216 Cl16 N16 O8 P8 Zn8 -","4","1","","Lippert, Cameron A.; Liu, Kun; Sarma, Moushumi; Parkin, Sean R.; Remias, Joseph E.; Brandewie, Christine M.; Odom, Susan A.; Liu, Kunlei","Improving carbon capture from power plant emissions with zinc- and cobalt-based catalysts","Catal. Sci. Technol.","2014","4","10","3620","","10.1039/C4CY00766B","","","1.54178","CuKα","","0.0341","0.0332","","","0.0918","0.0928","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517301","11.5105","0.0012","14.3683","0.0015","25.09","0.003","90","","90","","90","","4149.5","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 Br2 P2 Pd -","- C48 H40 Br2 P2 Pd -","- C192 H160 Br8 P8 Pd4 -","4","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.038","0.0297","","","0.0612","0.064","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517302","12.1698","0.0011","12.3293","0.0012","26.72","0.003","90","","98.314","0.002","90","","3967.1","0.7","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.5 H43 Br2 O0.5 P2 Pd -","- C45.5 H43 Br2 O0.5 P2 Pd -","- C182 H172 Br8 O2 P8 Pd4 -","4","2","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0695","0.0452","","","0.0866","0.0953","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517303","10.2832","0.0009","12.9507","0.0012","10.9322","0.001","90","","112.013","0.001","90","","1349.8","0.2","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H26 Br2 Cl2 N O P Pd -","- C25 H26 Br2 Cl2 N O P Pd -","- C50 H52 Br4 Cl4 N2 O2 P2 Pd2 -","2","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0296","0.0269","","","0.0559","0.0568","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517441","7.8138","0.0003","14.5845","0.0005","19.1054","0.0007","68.745","0.003","87.157","0.003","75.844","0.003","1965.7","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 Ir N2 -","- C23 H29 Ir N2 -","- C92 H116 Ir4 N8 -","4","2","","Forberg, Daniel; Obenauf, Johannes; Friedrich, Martin; Hühne, Sven-Martin; Mader, Werner; Motz, Günter; Kempe, Rhett","The synthesis of pyrroles via acceptorless dehydrogenative condensation of secondary alcohols and 1,2-amino alcohols mediated by a robust and reusable catalyst based on nanometer-sized iridium particles","Catal. Sci. Technol.","2014","4","12","4188","","10.1039/C4CY01018C","","","0.71073","MoKα","","0.0941","0.0627","","","0.145","0.1596","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517513","6.2172","0.0002","16.4455","0.0005","7.0797","0.0002","90","","102.836","0.001","90","","705.77","0.04","123","","123","","","","","","","","see text","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H11 F6 N4 P -","- C13 H11 F6 N4 P -","- C26 H22 F12 N8 P2 -","2","0.5","","Markovits, Iulius I. E.; Anthofer, Michael H.; Kolding, Helene; Cokoja, Mirza; Pöthig, Alexander; Raba, Andreas; Herrmann, Wolfgang A.; Fehrmann, Rasmus; Kühn, Fritz E.","Efficient epoxidation of propene using molecular catalysts","Catal. Sci. Technol.","2014","4","11","3845","","10.1039/C4CY01066C","","x-ray","0.71073","MoKα","","0.0282","0.0279","","","0.0681","0.0683","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517812","10.4178","0.0012","12.0725","0.0014","13.2955","0.0016","90.683","0.002","110.55","0.002","96.916","0.002","1551.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl Co N4 O7 -","- C33 H30 Cl Co N4 O7 -","- C66 H60 Cl2 Co2 N8 O14 -","2","1","","Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang","Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts","Catal. Sci. Technol.","2015","5","1","562","","10.1039/C4CY01064G","","","0.71073","MoKα","","0.0708","0.0512","","","0.1486","0.17","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517813","12.326","0.0015","12.7391","0.0015","13.0205","0.0016","62.534","0.002","82.794","0.002","79.008","0.002","1779.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H33 Br Cl Co N4 O7 -","- C35 H33 Br Cl Co N4 O7 -","- C70 H66 Br2 Cl2 Co2 N8 O14 -","2","1","","Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang","Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts","Catal. Sci. Technol.","2015","5","1","562","","10.1039/C4CY01064G","","","0.71073","MoKα","","0.0923","0.0553","","","0.1547","0.1834","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518337","19.0059","0.0005","21.9914","0.0005","22.092","0.0007","114.003","0.001","107.666","0.001","99.412","0.002","7588","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H60 B Cl3 F24 Ir2 N2 -","- C75 H60 B Cl3 F24 Ir2 N2 -","- C300 H240 B4 Cl12 F96 Ir8 N8 -","4","2","","Corre, Y.; Iali, W.; Hamdaoui, M.; Trivelli, X.; Djukic, J.-P.; Agbossou-Niedercorn, F.; Michon, C.","Efficient hydrosilylation of imines using catalysts based on iridium(iii) metallacycles","Catal. Sci. Technol.","2015","5","3","1452","","10.1039/C4CY01233J","","","0.71073","MoKα","","0.1925","0.0985","","","0.2244","0.2624","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518357","9.952","0.002","15.043","0.004","11.1","0.003","90","","90.067","0.009","90","","1661.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Labed, I.; Labed, A.; Sun, Y.; Jiang, F.; Achard, M.; Dérien, S.; Kabouche, Z.; Bruneau, C.","[Cp*Ru]-catalyzed selective coupling/hydrogenation","Catal. Sci. Technol.","2015","5","3","1650","","10.1039/C4CY01303D","","x-ray","0.71073","MoKα","","0.0732","0.0519","","","0.1165","0.1246","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518406","11.4796","0.0004","15.5902","0.0006","15.8639","0.0006","98.551","0.002","106.145","0.002","104.953","0.002","2559.42","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 P2 -","- C28 H36 N2 P2 -","- C112 H144 N8 P8 -","4","2","","Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene","Catal. Sci. Technol.","2015","5","3","1678","","10.1039/C4CY01441C","","","0.71073","MoKα","","0.0755","0.0427","","","0.091","0.1039","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518538","7.2528","0.0004","12.6837","0.0006","14.9215","0.0008","106.95","0.002","99.766","0.002","99.208","0.003","1261.66","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 Cl3 Fe N5 O3 -","- C19 H33 Cl3 Fe N5 O3 -","- C38 H66 Cl6 Fe2 N10 O6 -","2","1","","Nesterov, Dmytro S.; Nesterova, Oksana V.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalytic behaviour of a novel Fe(iii) Schiff base complex in the mild oxidation of cyclohexane","Catal. Sci. Technol.","2015","5","3","1801","","10.1039/C4CY00888J","","","0.71069","MoKα","","0.0578","0.04","","","0.1073","0.1191","","","","","","0.964","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518546","6.453","0.0002","6.544","0.0002","6.7851","0.0002","107.752","0.001","97.132","0.001","107.192","0.001","253.356","0.014","123","","123","","","","","","","","see text","5","P 1","P 1","1","","","","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","1","1","","Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.","Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation","Catal. Sci. Technol.","2015","5","4","2282","","10.1039/C4CY01604A","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0381","0.0381","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518547","20.5911","0.0003","6.9325","0.0001","12.3919","0.0002","90","","117.372","0.001","90","","1570.87","0.04","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F3 Mo O3 -","- C6 H5 F3 Mo O3 -","- C48 H40 F24 Mo8 O24 -","8","1","","Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.","Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation","Catal. Sci. Technol.","2015","5","4","2282","","10.1039/C4CY01604A","","x-ray","0.71073","MoKα","","0.0247","0.0194","","","0.0431","0.0448","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518673","13.6507","0.0006","10.3032","0.0003","13.9805","0.0006","90","","109.803","0.005","90","","1850.02","0.14","296","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 N2 O9 S -","- C33 H48 N2 O9 S -","- C66 H96 N4 O18 S2 -","2","1","","Shen, Hongyun; Shen, Chao; Chen, Chao; Wang, Anming; Zhang, Pengfei","Novel glycosyl pyridyl-triazole@palladium nanoparticles: efficient and recoverable catalysts for C‒C cross-coupling reactions","Catal. Sci. Technol.","2015","5","4","2065","","10.1039/C5CY00013K","","","0.71073","MoKα","","0.1119","0.0653","","","0.1717","0.1906","","","","","","0.918","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1518674","12.3155","0.0007","15.9288","0.0008","19.2346","0.001","79.609","0.004","87.992","0.004","81.295","0.004","3668.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H71 Cl2 N3 Pd -","- C75 H71 Cl2 N3 Pd -","- C150 H142 Cl4 N6 Pd2 -","2","1","","Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar","Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts","Catal. Sci. Technol.","2015","5","3","1447","","10.1039/C5CY00058K","","","1.54178","CuKα","","0.0767","0.0605","","","0.1593","0.1685","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518675","35.0018","0.0017","11.2158","0.0005","15.2054","0.001","90","","111.789","0.008","90","","5542.8","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(IMes)PdCl2(TEA)","","- C27 H39 Cl2 N3 Pd -","- C27 H39 Cl2 N3 Pd -","- C216 H312 Cl16 N24 Pd8 -","8","1","","Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar","Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts","Catal. Sci. Technol.","2015","5","3","1447","","10.1039/C5CY00058K","","","0.71075","MoKα","","0.0764","0.0486","","","0.0994","0.1121","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519361","12.8779","0.0009","19.9196","0.0014","24.2784","0.0019","90","","103.146","0.007","90","","6064.7","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1","complex 1","","- C64 H88 N2 O5 Sc -","- C64 H88 N2 O5 Sc -","- C256 H352 N8 O20 Sc4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.1107","0.0696","","","0.1795","0.2074","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519362","13.106","0.0003","19.8031","0.0004","24.2374","0.0005","90","","103.093","0.0018","90","","6127","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","complex 2","","- C64.5 H85 N2 O5 Yb -","- C64.5 H85 N2 O5 Yb -","- C258 H340 N8 O20 Yb4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0497","0.0364","","","0.0884","0.095","","","","","","1.075","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519363","10.8744","0.0003","29.9882","0.0013","21.5416","0.0008","90","","99.001","0.003","90","","6938.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 3","","- C73 H105 N2 O8 Y -","- C73 H105 N2 O8 Y -","- C292 H420 N8 O32 Y4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.1143","0.0658","","","0.1671","0.1922","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519364","10.8719","0.0004","30.0322","0.0013","21.6152","0.0008","90","","99.151","0.004","90","","6967.7","0.5","223","0.1","223","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 5","","- C73 H105 N2 Nd O8 -","- C73 H89 N2 Nd O8 -","- C292 H356 N8 Nd4 O32 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0598","0.0418","","","0.1071","0.1157","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519365","17.715","0.01","14.656","0.008","20.41","0.02","90","","98.17","0.02","90","","5245","7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex 6","","- C52 H76 N3 O4 Si2 Yb -","- C52 H76 N3 O4 Si2 Yb -","- C208 H304 N12 O16 Si8 Yb4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71075","MoKα","","0.0745","0.0595","","","0.1298","0.1364","","","","","","1.193","","","","has coordinates","138464","2020-10-21","18:00:00",""
"1519366","17.6572","0.0006","14.6349","0.0005","20.3043","0.0007","90","","98.333","0.003","90","","5191.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex 7","","- C52 H76 N3 O4 Si2 Y -","- C52 H76 N3 O4 Si2 Y -","- C208 H304 N12 O16 Si8 Y4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0815","0.046","","","0.0783","0.0878","","","","","","0.976","","","","has coordinates","138464","2020-10-21","18:00:00",""
"1519632","16.6109","0.0004","8.7885","0.0002","17.8015","0.0005","90","","90","","90","","2598.75","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo O3 -","- C15 H12 Mo O3 -","- C120 H96 Mo8 O24 -","8","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0237","0.0213","","","0.0559","0.0581","","","","","","1.051","","","","has coordinates","171425","2020-10-21","18:00:00",""
"1519633","8.1106","0.0002","14.7261","0.0004","12.4891","0.0003","90","","100.409","0.001","90","","1467.12","0.06","123","","123","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 F5 Mo O3 -","- C15 H7 F5 Mo O3 -","- C60 H28 F20 Mo4 O12 -","4","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0179","0.0153","","","0.0358","0.0369","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519762","9.394","0.0005","10.5702","0.0006","19.7348","0.0008","90","","90","","90","","1959.6","0.17","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N O P Pd -","- C19 H16 Cl2 N O P Pd -","- C76 H64 Cl8 N4 O4 P4 Pd4 -","4","1","","Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio","Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes","Catal. Sci. Technol.","2015","","","","","10.1039/C5CY00413F","","","1.54184","CuKα","","0.0467","0.0407","","","0.092","0.0953","","","","","","1.068","","","","has coordinates","137018","2020-10-21","18:00:00",""
"1519763","10.2329","0.0006","21.5082","0.0012","31.0365","0.0018","90","","90","","90","","6830.9","0.7","123.8","","123.8","","","","","","","","","7","F 2 d d","F -2d 2","43","","","","- C38 H32 Cl2 N2 O2 P2 Pd -","- C38 H32 Cl2 N2 O2 P2 Pd -","- C304 H256 Cl16 N16 O16 P16 Pd8 -","8","0.5","","Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio","Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes","Catal. Sci. Technol.","2015","","","","","10.1039/C5CY00413F","","","0.71073","MoKα","","0.0243","0.022","","","0.0492","0.0503","","","","","","1.052","","","","has coordinates","137018","2020-10-21","18:00:00",""
"1520028","16.189","0.002","4.6448","0.0007","9.8821","0.0017","90","","92.866","0.005","90","","742.15","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.066","0.0524","","","0.1469","0.1579","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520029","5.0263","0.0006","10.9683","0.0015","13.3113","0.0014","90","","93.465","0.003","90","","732.51","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0227","0.0197","","","0.0499","0.0512","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520030","9.3024","0.001","8.3301","0.0011","21.227","0.002","90","","94.1","0.005","90","","1640.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.1347","0.0647","","","0.1531","0.1887","","","","","","0.976","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520031","12.3869","0.0006","7.756","0.0004","16.0899","0.0008","90","","95.514","0.003","90","","1538.65","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0888","0.061","","","0.1588","0.171","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520032","7.874","0.0008","7.9775","0.0008","12.3173","0.0011","90","","92.715","0.002","90","","772.84","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C44 H24 N4 -","2","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0414","0.0402","","","0.1091","0.1111","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520033","7.9622","0.0004","12.3209","0.0007","21.0198","0.0011","90","","90","","90","","2062.07","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 O P -","- C28 H23 O P -","- C112 H92 O4 P4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.05","0.0407","","","0.1006","0.1058","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520034","4.92","0.0007","5.3316","0.0008","27.538","0.005","90","","93.562","0.006","90","","721","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0439","0.0387","","","0.1026","0.1057","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520578","14.1016","0.0005","14.4022","0.0006","20.4554","0.0009","94.939","0.004","95.386","0.003","119.157","0.004","3570.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H57 Cu3 N38 O22.5 -","- C56 H56 Cu3 N38 O22.5 -","- C112 H112 Cu6 N76 O45 -","2","1","","Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes","Catal. Sci. Technol.","2015","5","8","4108","","10.1039/C5CY00462D","","","0.71073","MoKα","","0.058","0.0401","","","0.0912","0.1021","","","","","","1.047","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520579","14.4651","0.0005","19.3815","0.0006","14.1054","0.0005","90","","90.991","0.003","90","","3953.9","0.2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 B6 Cu4 F8 N4 O17 -","- C24 H48 B6 Cu4 F8 N4 O17 -","- C96 H192 B24 Cu16 F32 N16 O68 -","4","0.5","","Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes","Catal. Sci. Technol.","2015","5","8","4108","","10.1039/C5CY00462D","","","0.71073","MoKα","","0.0423","0.0342","","","0.0802","0.0848","","","","","","1.031","","","","has coordinates,has disorder","153062","2020-10-21","18:00:00",""
"1520736","7.2412","0.0003","10.1066","0.0004","19.681","0.0008","90","","90","","90","","1440.33","0.1","100","2","100","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0238","0.0228","","","0.063","0.0634","","","","","","1.038","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520737","7.1805","0.0001","9.8395","0.0001","19.6096","0.0003","90","","90","","90","","1385.47","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0607","0.0611","","","","","","1.046","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520738","10.0568","0.0007","14.9314","0.0011","16.7695","0.0012","90","","90","","90","","2518.1","0.3","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 N3 O Ru S -","- C24 H25 Cl2 N3 O Ru S -","- C96 H100 Cl8 N12 O4 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0543","0.0498","","","0.1258","0.1284","","","","","","1.065","","","","has coordinates,has disorder","170918","2020-10-21","18:00:00",""
"1520739","6.6174","0.0001","17.1016","0.0003","19.4048","0.0004","90","","90","","90","","2196","0.07","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O Ru S2 -","- C20 H20 Cl2 N2 O Ru S2 -","- C80 H80 Cl8 N8 O4 Ru4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0198","0.0177","","","0.0438","0.0443","","","","","","1.049","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520740","6.503","0.0001","10.2867","0.0001","31.8305","0.0004","90","","90","","90","","2129.28","0.05","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O2 Ru S -","- C20 H20 Cl2 N2 O2 Ru S -","- C80 H80 Cl8 N8 O8 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0155","0.0148","","","0.0375","0.0376","","","","","","1.058","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1521275","8.5336","0.001","11.7835","0.0014","13.3762","0.0015","100.381","0.002","95.958","0.002","103.944","0.002","1268.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ir(C2H4)(POCOP)] (6)","","","- C24 H43 Ir O2 P2 -","- C24 H43 Ir O2 P2 -","- C48 H86 Ir2 O4 P4 -","2","1","","Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A.","Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism","Catal. Sci. Technol.","2015","5","9","4575","","10.1039/C5CY00837A","","","0.71073","MoKα","","0.0348","0.0264","","","0.0473","0.0496","","","","","","0.996","","","","has coordinates","155207","2020-10-21","18:00:00",""
"1521276","16.2181","0.0009","10.735","0.0006","15.8712","0.0008","90","","107.894","0.002","90","","2629.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ir(C3H6)(POCOP)] (7)","","","- C25 H45 Ir O2 P2 -","- C25 H45 Ir O2 P2 -","- C100 H180 Ir4 O8 P8 -","4","1","","Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A.","Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism","Catal. Sci. Technol.","2015","5","9","4575","","10.1039/C5CY00837A","","","0.71073","MoKα","","0.0518","0.0382","","","0.0931","0.1038","","","","","","1.042","","","","has coordinates,has disorder","155207","2020-10-21","18:00:00",""
"1529201","15.72","0.0017","14.2236","0.0015","28.919","0.003","90","","96.12","0.002","90","","6429.3","1.2","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71.5 H54 Al Cl5 N4 O3 -","- C71.5 H54 Al Cl5 N4 O3 -","- C286 H216 Al4 Cl20 N16 O12 -","4","1","","Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi","Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides","Catal. Sci. Technol.","2015","5","9","4644","","10.1039/C5CY00982K","","","0.71073","MoKα","","0.1492","0.0904","","","0.247","0.2841","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529202","14.265","0.003","20.847","0.004","18.412","0.003","90","","97.691","0.004","90","","5426.2","1.8","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Al Cl3 N4 O2 -","- C68 H50 Al Cl3 N4 O2 -","- C272 H200 Al4 Cl12 N16 O8 -","4","1","","Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi","Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides","Catal. Sci. Technol.","2015","5","9","4644","","10.1039/C5CY00982K","","","0.71073","MoKα","","0.2017","0.0948","","","0.2311","0.2932","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529375","23.1112","0.0001","15.2701","0.0001","27.7104","0.0002","90","","108.738","0.0004","90","","9260.94","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 N6 O82 P2 Ti4 W20 -","- C104 N6 O82 P2 Ti4 W20 -","- C208 N12 O164 P4 Ti8 W40 -","2","0.5","","Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species","Catal. Sci. Technol.","2015","5","10","4778","","10.1039/C5CY01031D","","","0.71069","MoKα","","0.0455","0.0381","","","0.1","0.1076","","","","","","1.055","","","","has coordinates","170920","2020-10-21","18:00:00",""
"1529376","20.57","0.004","34.716","0.007","54.711","0.011","88.88","0.03","85.12","0.03","79.8","0.03","38312","14","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- O80 P2 Ti4 W20 -","- O80 P2 Ti4 W20 -","- O640 P16 Ti32 W160 -","8","4","","Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species","Catal. Sci. Technol.","2015","5","10","4778","","10.1039/C5CY01031D","","","0.95","synchrotron","","0.1414","0.0999","","","0.2311","0.247","","","","","","0.959","","","","has coordinates","170920","2020-10-21","18:00:00",""
"1529377","9.4895","0.0009","9.9809","0.0009","18.7212","0.0017","88.615","0.002","83.84","0.001","89.586","0.002","1762.4","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O -","- C23 H14 N O -","- C92 H56 N4 O4 -","4","2","","Zhang, Chunyan; Liu, Jianhua; Xia, Chungu","Palladium‒N-heterocyclic carbene (NHC)-catalyzed synthesis of 2-ynamides via oxidative aminocarbonylation of alkynes with amines","Catal. Sci. Technol.","2015","5","10","4750","","10.1039/C5CY00993F","","","0.71073","MoKα","","0.0609","0.0517","","","0.1365","0.1431","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529430","18.646","0.002","12.596","0.0009","14.6475","0.0012","90","","112.453","0.011","90","","3179.4","0.5","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Na O6 -","- C36 H41 Na O6 -","- C144 H164 Na4 O24 -","4","1","","Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide","Catal. Sci. Technol.","2016","6","2","515","","10.1039/C5CY01194A","","","0.71073","MoKα","","0.2022","0.0784","","","0.143","0.2064","","","","","","0.988","","","","has coordinates","175859","2020-10-21","18:00:00",""
"1532462","14.4834","0.001","6.1063","0.0005","16.8547","0.0012","90","","104.786","0.008","90","","1441.27","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.0481","","","","0.1645","","","","","","0.968","","","","has coordinates","177626","2020-10-21","18:00:00",""
"1532463","14.476","0.0006","6.097","0.00017","16.8438","0.0007","90","","104.788","0.0019","90","","1437.39","0.09","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.1067","","","","0.3238","","","","","","1.032","","","","has coordinates","177626","2020-10-21","18:00:00",""
"1532464","21.5645","0.0007","21.5645","0.0007","9.4379","0.0003","90","","90","","120","","3800.9","0.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","VNU-10","","- C11 H10 Co N O4 -","- C11 H10 Co N O4 -","- C66 H60 Co6 N6 O24 -","6","0.25","","Tu, Thach N.; Nguyen, Khoa D.; Nguyen, Truong N.; Truong, Thanh; Phan, Nam T. S.","New topological Co2(BDC)2(DABCO) as a highly active heterogeneous catalyst for the amination of oxazoles via oxidative C‒H/N‒H couplings","Catal. Sci. Technol.","2016","6","5","1384","","10.1039/C5CY01145K","","","1.54178","CuKα","","0.0648","0.0524","","","0.139","0.1456","","","","","","1.129","","","","has coordinates","177628","2020-10-21","18:00:00",""
"1539136","12.6986","0.001","12.8906","0.0013","14.9043","0.0016","90.191","0.009","108.659","0.008","92.048","0.007","2309.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N8 O5 Zn -","- C45 H56 Cl2 N8 O5 Zn -","- C90 H112 Cl4 N16 O10 Zn2 -","2","1","","Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan","Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide","Catal. Sci. Technol.","2016","6","6","1779","","10.1039/C5CY01290B","","","1.54184","CuKα","","0.1248","0.102","","","0.2717","0.3093","","","","","","1.009","","","","has coordinates","181522","2020-10-21","18:00:00",""
"1540417","11.7833","0.0003","32.7044","0.001","13.6983","0.0004","90","","111.821","0.003","90","","4900.6","0.3","100","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1128","0.056","","","0.0905","0.1062","","","","","","0.984","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540418","18.3485","0.0007","16.9164","0.0007","17.4629","0.0008","90","","100.428","0.004","90","","5330.8","0.4","100","2","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H76 Cl2 F N2 P Ru -","- C61 H76 Cl2 F N2 P Ru -","- C244 H304 Cl8 F4 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1056","0.0586","","","0.1413","0.1688","","","","","","1.016","","","","has coordinates,has disorder","181521","2020-10-21","18:00:00",""
"1540419","14.15","0.0004","14.3631","0.0003","24.5735","0.0004","90","","90","","90","","4994.27","0.19","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.0762","0.0488","","","0.0703","0.0795","","","","","","0.905","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540530","12.7487","0.0004","19.7725","0.0006","18.4361","0.0005","90","","103.046","0.001","90","","4527.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 N2 O2 P2 Rh2 S2 -","- C45 H62 N2 O2 P2 Rh2 S2 -","- C180 H248 N8 O8 P8 Rh8 S8 -","4","1","","Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I.","Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation","Catal. Sci. Technol.","2016","6","5","1320","","10.1039/C5CY01505G","","","0.71073","MoKα","","0.0396","0.0255","","","0.0542","0.058","","","","","","1.023","","","","has coordinates","177625","2020-10-21","18:00:00",""
"1540718","11.2087","0.0004","15.5479","0.0006","20.7874","0.0008","90","","97.185","0.001","90","","3594.2","0.2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F3 N O7 P2 Rh S -","- C35 H37 F3 N O7 P2 Rh S -","- C140 H148 F12 N4 O28 P8 Rh4 S4 -","4","1","","Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye","Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins","Catal. Sci. Technol.","2016","6","11","3854","","10.1039/C5CY01827G","","","0.71073","MoKα","","0.0574","0.0436","","","0.1064","0.1168","","","","","","1.032","","","","has coordinates","185093","2020-10-21","18:00:00",""
"1541895","15.783","0.003","12.467","0.002","12.928","0.002","90","","102.277","0.003","90","","2485.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C120 H128 N16 -","8","2","","Xiu, Jianmin; Yi, Wenbin","Radical-based regioselective cross-coupling of indoles and cycloalkanes","Catal. Sci. Technol.","2016","6","4","998","","10.1039/C5CY01907A","","","0.71073","MoKα","","0.0663","0.043","","","0.1028","0.1153","","","","","","1.042","","","","has coordinates","177624","2020-10-21","18:00:00",""
"1542279","9.4008","0.0005","11.5017","0.0006","13.7959","0.0007","108.56","0.001","106.079","0.002","97.893","0.002","1316.5","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","1","0.5","","Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo","A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes","Catal. Sci. Technol.","2016","6","11","3727","","10.1039/C5CY01448D","","","0.71073","MoKα","","0.0296","0.0278","","","0.0765","0.0782","","","","","","1.039","","","","has coordinates","185092","2020-10-21","18:00:00",""
"1542345","28.294","0.0017","11.04","0.0007","15.2266","0.0009","90","","111.304","0.001","90","","4431.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 F3 Ir N2 O4 Si -","- C21 H26 F3 Ir N2 O4 Si -","- C168 H208 F24 Ir8 N16 O32 Si8 -","8","1","","Julián, Alejandro; Jaseer, E. A.; Garcés, Karin; Fernández-Alvarez, Francisco J.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","Tuning the activity and selectivity of iridium-NSiN catalyzed CO2hydrosilylation processes","Catal. Sci. Technol.","2016","6","12","4410","","10.1039/C5CY02139A","","","0.71073","MoKα","","0.0803","0.0645","","","0.1113","0.1155","","","","","","1.317","","","","has coordinates","185090","2020-10-21","18:00:00",""
"1542353","17.888","0.0011","8.6252","0.0005","21.0338","0.0013","90","","111.094","0.002","90","","3027.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B F4 Fe N3 O P -","- C28 H41 B F4 Fe N3 O P -","- C112 H164 B4 F16 Fe4 N12 O4 P4 -","4","1","","Butschke, B.; Feller, M.; Diskin-Posner, Y.; Milstein, D.","Ketone hydrogenation catalyzed by a new iron(ii)‒PNN complex","Catal. Sci. Technol.","2016","6","12","4428","","10.1039/C5CY02036K","","","0.71073","MoKα","","0.0719","0.0414","","","0.0915","0.104","","","","","","1.004","","","","has coordinates,has disorder","185087","2020-10-21","18:00:00",""
"1542366","7.6344","0.0003","10.5128","0.0003","15.3514","0.0006","103.182","0.003","92.237","0.003","90.962","0.003","1198.29","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Cl3 P Ru -","- C22 H36 Cl3 P Ru -","- C44 H72 Cl6 P2 Ru2 -","2","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.0388","0.0335","","","0.0842","0.092","","","","","","1.06","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542367","6.8231","0.0001","11.2772","0.0002","33.5183","0.0006","90","","91.031","0.001","90","","2578.66","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 F6 O P Ru -","- C24 H23 Cl2 F6 O P Ru -","- C96 H92 Cl8 F24 O4 P4 Ru4 -","4","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.056","0.0528","","","0.1227","0.1241","","","","","","1.17","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542404","7.5973","0.0006","8.106","0.0006","12.4901","0.0012","89.576","0.003","86.095","0.002","69.787","0.002","720.03","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N O6 -","- C12 H18 Cu N O6 -","- C24 H36 Cu2 N2 O12 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0394","0.0316","","","0.0762","0.0786","","","","","","1.098","","","","has coordinates","185089","2020-10-21","18:00:00",""
"1542405","9.2907","0.0005","13.3305","0.0006","15.2281","0.0007","90","","107.358","0.002","90","","1800.11","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Cu N2 O9 -","- C14 H27 Cu N2 O9 -","- C56 H108 Cu4 N8 O36 -","4","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0719","0.0524","","","0.1452","0.1587","","","","","","1.049","","","","has coordinates","185089","2020-10-21","18:00:00",""
"1542415","14.1412","0.0004","9.6921","0.0003","13.6154","0.0004","90","","93.23","0.001","90","","1863.13","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br2 Fe N3 Ni -","- C19 H17 Br2 Fe N3 Ni -","- C76 H68 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.0214","0.0208","","","0.0535","0.054","","","","","","1.059","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542416","14.2482","0.0003","9.8031","0.0002","14.1378","0.0003","90","","96.793","0.001","90","","1960.86","0.07","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br2 Fe N3 Ni -","- C20 H19 Br2 Fe N3 Ni -","- C80 H76 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.051","0.0502","","","0.1279","0.129","","","","","","1.101","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542536","9.92044","0.00014","14.02733","0.00018","18.6185","0.0003","90","","101.515","0.0013","90","","2538.75","0.06","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F6 N4 O6 S2 Zn -","- C22 H16 F6 N4 O6 S2 Zn -","- C88 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.032","0.0274","","","0.0665","0.0691","","","","","","1.054","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542537","9.75476","0.00012","14.26536","0.00017","19.5942","0.0002","90","","95.2384","0.0011","90","","2715.25","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F6 N4 O6 S2 Zn -","- C26 H16 F6 N4 O6 S2 Zn -","- C104 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.0328","0.0271","","","0.0689","0.0722","","","","","","1.051","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542538","8.3731","0.0003","8.6907","0.0003","11.7281","0.0005","68.851","0.003","81.968","0.003","82.401","0.003","785.04","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.71073","MoKα","","0.0331","0.0304","","","0.0525","0.0539","","","","","","0.966","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542578","7.1145","0.0002","7.6417","0.0002","15.3159","0.0005","93.275","0.001","97.569","0.001","113.744","0.001","749.96","0.04","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C32 H22 F6 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0258","0.0244","","","0.0585","0.0594","","","","","","1.069","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542579","7.2471","0.0004","31.8822","0.0018","6.7406","0.0003","90","","104.266","0.003","90","","1509.41","0.14","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0504","0.0328","","","0.0681","0.0739","","","","","","1.056","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542580","8.9791","0.0006","12.3295","0.0008","13.7453","0.0009","90","","100.651","0.003","90","","1495.49","0.17","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.1497","0.0624","","","0.1027","0.1299","","","","","","1.003","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542581","8.4202","0.0004","10.2245","0.0006","10.5319","0.0007","101.377","0.003","102.663","0.003","103.044","0.003","832.29","0.09","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C17 H10 F6 Mo O3 -","- C17 H10 F6 Mo O3 -","- C34 H20 F12 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0295","0.0242","","","0.0488","0.0506","","","","","","1.058","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542628","12.7129","0.0008","13.3917","0.0008","17.6166","0.0011","93.824","0.003","90.923","0.002","93.204","0.002","2987.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H39 B F24 N3 P Pd -","- C63 H39 B F24 N3 P Pd -","- C126 H78 B2 F48 N6 P2 Pd2 -","2","1","","Ojwach, Stephen O.; Ogweno, Aloice O.; Akerman, Matthew P.","(Pyridyl)benzoazole palladium(ii) complexes as homogeneous catalysts in hydrogenation of alkenes and alkynes","Catal. Sci. Technol.","2016","6","13","5069","","10.1039/C5CY02204E","","","0.71073","MoKα","","0.0434","0.041","","","0.1009","0.1025","","","","","","1.035","","","","has coordinates,has disorder","185083","2020-10-21","18:00:00",""
"1542764","36.067","0.003","15.5582","0.001","18.7893","0.0013","90","","92.869","0.004","90","","10530.2","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C400 H360 Cl8 F96 N80 O24 P16 Ru16 -","8","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1151","0.0619","","","0.1498","0.1812","","","","","","1.029","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542765","15.1819","0.0015","26.556","0.002","15.5336","0.0019","90","","112.382","0.004","90","","5790.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C202 H173 Cl8 N55 O40 Ru8 -","4","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1422","0.0942","","","0.2548","0.2835","","","","","","1.072","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542911","8.914","0.0008","10.559","0.0007","10.6874","0.0007","82.779","0.006","72.066","0.007","70.261","0.007","900.55","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H17 N O7 -","- C21 H17 N O7 -","- C42 H34 N2 O14 -","2","2","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Removing the superfluous: a supported squaramide catalyst with a minimalistic linker applied to the enantioselective flow synthesis of pyranonaphthoquinones","Catal. Sci. Technol.","2016","6","13","4686","","10.1039/C6CY00473C","","","0.7107","MoKα","","0.0657","0.0522","","","0.1289","0.1363","","","","","","1.004","","","","has coordinates","185082","2020-10-21","18:00:00",""
"1542955","12.492","0.003","9.7027","0.0019","31.799","0.006","90","","94.843","0.003","90","","3840.5","1.4","138","","138","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Cl Fe N2 O3 -","- C38 H60 Cl Fe N2 O3 -","- C152 H240 Cl4 Fe4 N8 O12 -","4","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0417","0.04","","","0.1025","0.1039","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1542956","27.898","0.009","9.683","0.003","23.472","0.008","90","","110.032","0.004","90","","5957","3","168","","168","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H45 Cl Fe N2 O2.5 -","- C30.5 H45 Cl Fe N2 O2.5 -","- C244 H360 Cl8 Fe8 N16 O20 -","8","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0392","0.0375","","","0.0988","0.1006","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1543272","19.533","0.004","7.5052","0.0015","21.247","0.004","90","","90","","90","","3114.8","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth","Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions","Catal. Sci. Technol.","2016","6","11","3723","","10.1039/C5CY01973G","","","0.71073","MoKα","","0.1231","0.0578","","","0.1398","0.1671","","","","","","0.934","","","","has coordinates","185091","2020-10-21","18:00:00",""
"1543573","8.287","0.0001","8.486","0.0001","25.305","0.0005","95.062","0.001","92.854","0.001","97.449","0.001","1754.25","0.05","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H36 F6 N5 O3 P Ru S -","- C30 H36 F6 N5 O3 P Ru S -","- C60 H72 F12 N10 O6 P2 Ru2 S2 -","2","1","","Marcé, Patricia; Paterson, Andrew J.; Mahon, Mary F.; Frost, Christopher G.","Mechanistic insight into ruthenium catalysed meta-sulfonation of 2-phenylpyridine","Catal. Sci. Technol.","2016","6","19","7068","","10.1039/C6CY01254J","","","0.71073","MoKα","","0.0667","0.0439","","","0.0819","0.0883","","","","","","1.035","","","","has coordinates,has disorder","187018","2020-10-21","18:00:00",""
"1544135","12.2298","0.0013","7.6667","0.0008","17.9898","0.0014","90","","125.106","0.005","90","","1379.9","0.2","185","2","185","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H20 F10 N4 Zn -","- C26 H20 F10 N4 Zn -","- C52 H40 F20 N8 Zn2 -","2","0.5","","Li, Xiao-Qing; Wang, Bin; Ji, He-Yuan; Li, Yue-Sheng","Insights into the mechanism for ring-opening polymerization of lactide catalyzed by Zn(C6F5)2/organic superbase Lewis pairs","Catal. Sci. Technol.","2016","6","21","7763","","10.1039/C6CY01587E","","","0.71073","MoKα","","0.0459","0.0372","","","0.0854","0.09","","","","","","1.057","","","","has coordinates","188059","2020-10-21","18:00:00",""
"1544219","15.969","0.0004","10.6225","0.0004","15.6395","0.0005","90","","91.922","0.003","90","","2651.45","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl5 F5 N2 Ru -","- C22 H22 Cl5 F5 N2 Ru -","- C88 H88 Cl20 F20 N8 Ru4 -","4","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0463","0.0351","","","0.0833","0.0997","","","","","","0.859","","","","has coordinates,has disorder","190057","2020-10-21","18:00:00",""
"1544220","11.3681","0.0004","14.3155","0.0007","14.8357","0.0007","62.367","0.005","84.064","0.004","77.725","0.004","2090.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Cl8 N2 Ru -","- C36 H39 Cl8 N2 Ru -","- C72 H78 Cl16 N4 Ru2 -","2","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0766","0.0613","","","0.1725","0.1917","","","","","","1.069","","","","has coordinates,has disorder","190057","2020-10-21","18:00:00",""
"1544266","11.8914","0.0007","12.9438","0.0007","15.3741","0.0009","90","","90","","90","","2366.4","0.2","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","C4","","- C20 H26 Cl2 Co N4 -","- C20 H26 Cl2 Co N4 -","- C80 H104 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0661","0.0633","","","0.1615","0.164","","","","","","1.069","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544267","14.2357","0.0014","8.2893","0.0008","15.2974","0.0017","90","","90","","90","","1805.2","0.3","115","2","114.99","","","","","","","","","5","P b c n","-P 2n 2ab","60","","C6","","- C17 H24 Cl2 Co N4 -","- C17 H24 Cl2 Co N4 -","- C68 H96 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0258","0.0216","","","0.0517","0.054","","","","","","1.06","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544268","11.1898","0.001","8.5968","0.0008","14.2382","0.0013","90","","103.253","0.003","90","","1333.2","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C7","","- C28 H31 Cl2 Co N5 -","- C28 H31 Cl2 Co N5 -","- C56 H62 Cl4 Co2 N10 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0207","0.0193","","","0.0464","0.0468","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1544269","9.0263","0.0011","9.19","0.0011","13.2981","0.0016","83.343","0.003","81.332","0.003","61.722","0.003","959.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","C8","","- C12 H34 Cl2 Co N4 O2 -","- C12 H34 Cl2 Co N4 O2 -","- C24 H68 Cl4 Co2 N8 O4 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0503","0.0488","","","0.1316","0.1333","","","","","","1.081","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544270","11.2962","0.0006","13.9276","0.0008","14.5394","0.0009","90","","90","","90","","2287.5","0.2","108","2","108","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Co(DMPDP)Cl2]","","","- C22 H32 Cl2 Co N4 O -","- C22 H32 Cl2 Co N4 O -","- C88 H128 Cl8 Co4 N16 O4 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0171","0.0168","","","0.0437","0.0438","","","","","","1.092","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544367","9.044","0.0016","9.044","0.0016","40.737","0.01","90","","90","","120","","2885.6","1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H20.24 Cl2 Co N4 O0.12 -","- C19 H20 Cl2 Co N4 O0.122 -","- C114 H120 Cl12 Co6 N24 O0.732 -","6","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.0651","0.0535","","","0.1076","0.1154","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544368","14.188","0.007","6.883","0.003","21.321","0.011","90","","107.131","0.009","90","","1989.7","1.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CoHO-TMPAClCl? CoTMPAClCl","CoBr-TMPACl2","","- C18 H17 Br Cl2 Co N4 -","- C18 H17 Br Cl2 Co N4 -","- C72 H68 Br4 Cl8 Co4 N16 -","4","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.1142","0.0832","","","0.2212","0.2487","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544478","11.4926","0.0016","17.417","0.002","19.109","0.003","90","","103.684","0.002","90","","3716.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N3 O Rh -","- C44 H56 N3 O Rh -","- C176 H224 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.1028","0.0618","","","0.1104","0.1242","","","","","","1.077","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1544479","11.3475","0.0014","17.783","0.002","19.583","0.002","90","","103.994","0.002","90","","3834.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N3 O Rh -","- C45 H58 N3 O Rh -","- C180 H232 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.046","0.0323","","","0.0755","0.0822","","","","","","1.029","","","","has coordinates,has disorder","190059","2020-10-21","18:00:00",""
"1544480","11.4003","0.0006","29.8414","0.0015","16.2873","0.0008","90","","105.512","0.001","90","","5339.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H72 N3 O Rh -","- C63 H72 N3 O Rh -","- C252 H288 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.0393","0.0327","","","0.0767","0.0807","","","","","","1.053","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1544553","9.6965","0.0004","17.3653","0.0007","19.2464","0.0008","90","","90","","90","","3240.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 O5 -","- C46 H32 O5 -","- C184 H128 O20 -","4","1","","Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri","A mechanistic study of the Lewis acid‒Brønsted base‒Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone","Catal. Sci. Technol.","2017","7","1","90","","10.1039/C6CY01697A","","","0.71073","MoKα","","0.0891","0.0539","","","0.1281","0.1457","","","","","","1.018","","","","has coordinates","191454","2020-10-21","18:00:00",""
"1544776","31.425","0.006","9.0156","0.0018","34.41","0.005","90","","147.193","0.008","90","","5282","2","297","","297","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","RuCl(NCO)(DMSO)(Pic)","Ru WOCs","","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C164 H208 Cl32 N32 O24 Ru8 S8 -","4","0.5","","Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis","Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand","Catal. Sci. Technol.","2017","7","2","387","","10.1039/C6CY02333A","","","0.71073","MoKα","","0.0683","0.0636","","","0.1487","0.1517","","","","","","1.233","","","","has coordinates","191453","2020-10-21","18:00:00",""
"1545800","7.8403","0.0002","12.7512","0.0003","10.5247","0.0002","90","","91.486","0.002","90","","1051.83","0.04","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N4 O7 S2 -","- C15 H28 N4 O7 S2 -","- C30 H56 N8 O14 S4 -","2","0.5","","Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang","Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00512A","","","1.54178","CuKα","","0.0397","0.0366","","","0.0785","0.0801","","","","","","1.088","","","","has coordinates","195733","2020-10-21","18:00:00",""
"1545881","8.4376","0.0011","10.1022","0.0012","13.0614","0.0015","98.593","0.004","92.973","0.004","100.142","0.004","1080.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 Co2 O6 -","- C24 H14 Co2 O6 -","- C48 H28 Co4 O12 -","2","1","","Wang, Gongbao; Lindeboom, Erik-Jan; Heerewaarden, Chris van; Minnaard, Adriaan J.","Synthesis of Ene-yne-enes by Nickel-Catalyzed Double SN2’ substitution of 1,6-Dichlorohexa-2,4-diyne","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00429J","","","0.71073","MoKα","","0.019","0.0178","","","0.0469","0.0478","","","","","","1.057","","","","has coordinates","195793","2020-10-21","18:00:00",""
"1545893","11.7663","0.0003","11.7663","0.0003","7.5184","0.0003","90","","90","","90","","1040.89","0.06","173","2","173","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C4 H12 Cu2 I2 N2 -","- C4 H12 Cu2 I2 N2 -","- C16 H48 Cu8 I8 N8 -","4","","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0333","0.0263","","","0.0452","0.0469","","","","","","1.044","","","","has coordinates","195832","2020-10-21","18:00:00",""
"1545894","9.18796","0.00019","12.5494","0.0003","35.7355","0.0007","90","","90","","90","","4120.42","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H65 Cu2 I4 N15 -","- C20 H65 Cu2 I4 N15 -","- C80 H260 Cu8 I16 N60 -","4","1","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0351","0.0296","","","0.0423","0.0441","","","","","","1.003","","","","has coordinates,has disorder","195832","2020-10-21","18:00:00",""
"1545895","13.3569","0.001","11.5554","0.0008","11.4189","0.0009","90","","95.026","0.007","90","","1755.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cu2 I2 N4 -","- C8 H24 Cu2 I2 N4 -","- C32 H96 Cu8 I8 N16 -","4","1","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0648","0.0436","","","0.1533","0.1608","","","","","","1.115","","","","has coordinates","195832","2020-10-21","18:00:00",""
"1545973","11.188","0.002","25.322","0.005","16.401","0.003","90","","93.32","0.03","90","","4638.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 Cl2 N2 P2 Ru -","- C41 H40 Cl2 N2 P2 Ru -","- C164 H160 Cl8 N8 P8 Ru4 -","4","1","","Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst","Catal. Sci. Technol.","2017","7","8","1654","","10.1039/C7CY00342K","","","0.71073","MoKα","","","0.0736","","","0.1795","0.1921","","","","","","1.034","","","","has coordinates","196197","2020-10-21","18:00:00",""
"1545996","16.1455","0.0018","19.402","0.002","9.224","0.001","90","","103.732","0.002","90","","2806.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 N7 Ni O3 -","- C25 H27 Cl2 N7 Ni O3 -","- C100 H108 Cl8 N28 Ni4 O12 -","4","1","","Dai, Zengjin; Luo, Qin; Jiang, Huan; Luo, Qi; Li, Hua; Zhang, Jing; Peng, Tianyou","Ni(II)-N′NN′ Pincer Complexes Catalyzed Dehydrogenation of Primary Alcohols to Carboxylic acids and H2 Accompanied by the Alcohol Etherification","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00432J","","","0.71073","MoKα","","0.0736","0.0423","","","0.0917","0.1092","","","","","","1","","","","has coordinates","196542","2020-10-21","18:00:00",""
"1546243","16.975","0.008","15.547","0.006","24.68","0.012","90","","101.91","0.03","90","","6373","5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61.5 H59 Al Cl8 N4 Ni -","- C61.5 H59 Al Cl8 N4 Ni -","- C246 H236 Al4 Cl32 N16 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.71073","MoKα","","0.1465","0.0768","","","0.182","0.2091","","","","","","0.924","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546244","14.507","0.003","16.966","0.003","19.647","0.004","112.115","0.009","101.465","0.01","100.432","0.011","4212.5","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H84 Al Cl9 N6 Ni3 -","- C90 H84 Al Cl9 N6 Ni3 -","- C180 H168 Al2 Cl18 N12 Ni6 -","2","1","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.71073","MoKα","","0.1394","0.0621","","","0.155","0.2102","","","","","","0.978","","","","has coordinates,has disorder","197539","2020-10-21","18:00:00",""
"1546245","12.652","0.0001","23.843","0.0001","12.739","0.0002","90","","100.858","0.001","90","","3774.07","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C137 H166 Al4 Cl19 N8 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.6771","synchrotron","","0.0899","0.0635","","","0.1657","0.1841","","","","","","1.033","","","","has coordinates,has disorder","197539","2020-10-21","18:00:00",""
"1546320","9.8797","0.0006","10.1848","0.0004","10.9733","0.0005","78.19","0.004","86.738","0.004","83.332","0.004","1072.86","0.09","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H19 Bi F3 N O3 S -","- C22 H19 Bi F3 N O3 S -","- C44 H38 Bi2 F6 N2 O6 S2 -","2","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.03","0.0266","","","0.0503","0.0516","","","","","","1.037","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546321","9.634","0.0004","10.1839","0.0006","19.5747","0.001","91.79","0.004","104.227","0.004","93.993","0.004","1854.76","0.17","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Bi N2 O3 -","- C21 H19 Bi N2 O3 -","- C84 H76 Bi4 N8 O12 -","4","2","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.056","0.0459","","","0.0891","0.0933","","","","","","1.075","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546322","9.567","0.003","18.155","0.005","12.596","0.004","90","","110.952","0.005","90","","2043.1","1.1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Bi N2 O3 -","- C22 H21 Bi N2 O3 -","- C88 H84 Bi4 N8 O12 -","4","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.0502","0.0365","","","0.0726","0.0782","","","","","","1.07","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546323","12.068","0.0011","14.0151","0.0013","15.1158","0.0014","90","","91.579","0.002","90","","2555.6","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Bi N O3 S -","- C29 H26 Bi N O3 S -","- C116 H104 Bi4 N4 O12 S4 -","4","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.0466","0.033","","","0.0655","0.0689","","","","","","0.973","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546440","14.9611","0.0007","18.8833","0.0009","15.2457","0.0008","90","","102.243","0.0018","90","","4209.2","0.4","304","2","304","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","VNU-18","","- C23.5 H22.5 Cu3 N4.5 O13 -","- C23.5 H22.5 Cu3 N4.5 O13 -","- C94 H90 Cu12 N18 O52 -","4","1","","Truong, Thanh; Tran, Thuan V.; Le, Hanh T. N; Ha, Hiep Q.; Duong, Xuan N. T; Nguyen, Linh H. T; Doan, Tan L. H; Nguyen, Ha Lac","Five coordination Cu(II) cluster-based MOF and its application in synthesis of pharmaceuticals via Sp3C-H/N-H oxidative couplings","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00882A","","","1.54178","CuKα","","0.0722","0.0574","","","0.1755","0.1837","","","","","","1.051","","","","has coordinates","198348","2020-10-21","18:00:00",""
"1546512","8.8067","0.0003","13.5906","0.0005","16.3003","0.0007","83.2903","0.0015","78.3035","0.0015","72.0401","0.0013","1814.26","0.12","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C37 H33 Cl5 N2 O2 P2 Ru -","- C37 H33 Cl5 N2 O2 P2 Ru -","- C74 H66 Cl10 N4 O4 P4 Ru2 -","2","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0378","0.0295","","","0.0802","0.0867","","","","","","0.916","","","","has coordinates,has disorder","198607","2020-10-21","18:00:00",""
"1546513","13.1524","0.0005","14.2669","0.0006","18.7481","0.0008","90","","104.965","0.002","90","","3398.7","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl2 N2 O3 P2 Ru -","- C35 H40 Cl2 N2 O3 P2 Ru -","- C140 H160 Cl8 N8 O12 P8 Ru4 -","4","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0409","0.0301","","","0.0886","0.1028","","","","","","1.127","","","","has coordinates","198607","2020-10-21","18:00:00",""
"1546514","14.1626","0.0013","17.2124","0.0019","15.9415","0.0018","90","","110.623","0.003","90","","3637.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 Cl4 N2 O2 P2 Ru -","- C37 H34 Cl4 N2 O2 P2 Ru -","- C148 H136 Cl16 N8 O8 P8 Ru4 -","4","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0896","0.0504","","","0.0992","0.1122","","","","","","1.074","","","","has coordinates,has disorder","198607","2020-10-21","18:00:00",""
"1546515","16.1179","0.0019","16.1688","0.0019","15.2936","0.0018","90","","107.19","0.004","90","","3807.6","0.8","150","","150","","","","","","","","synthesis as described","7","P 1 c 1","P -2yc","7","","","","- C38.5 H36 Cl N3 O3 P2 Ru -","- C38.5 H36 Cl N3 O3 P2 Ru -","- C154 H144 Cl4 N12 O12 P8 Ru4 -","4","2","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0853","0.0732","","","0.1982","0.2105","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546811","10.0781","0.0004","12.2736","0.0005","18.584","0.0008","74.2212","0.0019","75.854","0.002","70.4236","0.0019","2054.25","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Fe2 N2 O8 -","- C48 H44 Fe2 N2 O8 -","- C96 H88 Fe4 N4 O16 -","2","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0814","0.0479","","","0.1149","0.1295","","","","","","1.074","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546812","15.0129","0.0009","6.7964","0.0004","16.6082","0.001","90","","107.336","0.0019","90","","1617.62","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0625","0.0454","","","0.1234","0.1309","","","","","","1.38","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546813","17.9282","0.0006","11.5903","0.0004","21.7086","0.0007","90","","94.633","0.0019","90","","4496.2","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0858","0.0514","","","0.1351","0.156","","","","","","1.053","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546814","8.639","0.0003","28.5416","0.001","10.0003","0.0004","90","","98.528","0.002","90","","2438.52","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 Fe2 N4 O10 -","- C58 H44 Fe2 N4 O10 -","- C116 H88 Fe4 N8 O20 -","2","0.5","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0867","0.0494","","","0.106","0.1225","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546834","34.9801","0.0012","34.9801","0.0012","34.9801","0.0012","90","","90","","90","","42802","3","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C12 H6 Hf3 O16 -","- C12 H6 Hf3 O16 -","- C384 H192 Hf96 O512 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0467","0.0384","","","0.118","0.123","","","","","","1.119","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546835","34.901","0.003","34.901","0.003","34.901","0.003","90","","90","","90","","42512","6","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C9 H3 Hf3 O13 S6 -","- C9 H3 Hf3 O13 S6 -","- C288 H96 Hf96 O416 S192 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0602","0.051","","","0.1461","0.1518","","","","","","1.383","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546912","13.265","0.003","13.265","0.003","7.545","0.002","90","","90","","120","","1149.8","0.5","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C0.75 K0.08 O3.52 Si1.5 -","- C1.41667 K0.0833333 O3.08333 Si1.5 -","- C17 K O37 Si18 -","12","1","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.75","synchrotron","","0.0801","0.0569","","","0.147","0.1626","","","","","","1.144","","","","has coordinates","200008","2020-10-21","18:00:00",""
"1546913","13.2558","0.0003","13.2558","0.0003","7.5358","0.0002","90","","90","","120","","1146.76","0.05","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C14 K O40 Si18 -","- C14 K O40 Si18 -","- C14 K O40 Si18 -","1","0.0833333","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.75","synchrotron","","0.0458","0.0431","","","0.1216","0.1322","","","","","","1.112","","","","has coordinates","200009","2020-10-21","18:00:00",""
"1546914","13.2269","0.0016","13.2269","0.0016","7.5381","0.001","90","","90","","120","","1142.1","0.2","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C14 K O40 Si18 -","- C14 K O40 Si18 -","- C14 K O40 Si18 -","1","0.0833333","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.71073","MoKα","","0.0363","0.0358","","","0.1046","0.105","","","","","","1.166","","","","has coordinates","200010","2020-10-21","18:00:00",""
"1547134","27.042","0.003","10.5667","0.0009","28.273","0.003","90","","118.213","0.014","90","","7119.1","1.6","149","1","149","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Bis-(4,6-dichlorophenolato)-2-methylpyridine)amine)iron(II)-bis-pyridine","","- C35.61 H35.61 Cl4 Fe N4 O3.11 -","- C35.611 H35.611 Cl4 Fe N4 O3.111 -","- C284.888 H284.888 Cl32 Fe8 N32 O24.888 -","8","2","","Patra, Ranjan; Coin, Guillaume; Castro, Ludovic; Dubourdeaux, Patrick; Clémancey, Martin; Pécaut, Jacques; Lebrun, Colette; Maldivi, Pascale; Latour, Jean-Marc","Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01283G","","x-ray","0.71073","MoKα","","0.1563","0.0877","","","0.2009","0.224","","","","","","0.975","","","","has coordinates,has disorder","200802","2020-10-21","18:00:00",""
"1547242","12.4248","0.0013","20.3497","0.0015","20.8058","0.0015","90","","90","","90","","5260.6","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 F6 N3 P2 Ru -","- C23 H33 F6 N3 P2 Ru -","- C184 H264 F48 N24 P16 Ru8 -","8","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0491","0.0307","","","0.0639","0.072","","","","","","1.02","","","","has coordinates","201053","2020-10-21","18:00:00",""
"1547243","11.7704","0.0005","13.58","0.0005","15.0853","0.0006","80.426","0.001","68.805","0.001","70.553","0.001","2117","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","Compound 13","","- C37 H59 F6 N7 P2 Ru -","- C37 H59 F6 N7 P2 Ru -","- C74 H118 F12 N14 P4 Ru2 -","2","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0458","0.0381","","","0.0905","0.0956","","","","","","1.076","","","","has coordinates,has disorder","201053","2020-10-21","18:00:00",""
"1547383","9.0107","0.0006","22.8169","0.0016","25.9541","0.0017","90","","90","","90","","5336.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H61 Au Cl4 O3 P -","- C57 H61 Au Cl4 O3 P -","- C228 H244 Au4 Cl16 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0834","0.0511","","","0.1045","0.1164","","","","","","1.02","","","","has coordinates","201356","2020-10-21","18:00:00",""
"1547384","9.7873","0.0003","12.8393","0.0004","39.6173","0.0013","90","","90","","90","","4978.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H45 Au Cl O3 P Si2 -","- C62 H45 Au Cl O3 P Si2 -","- C248 H180 Au4 Cl4 O12 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0389","0.036","","","0.0841","0.085","","","","","","1.118","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547385","13.2861","0.0014","13.2861","0.0014","14.7974","0.0015","90","","90","","90","","2612","0.5","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C32 H25 Au Cl Fe P -","- C32 H25 Au Cl Fe P -","- C128 H100 Au4 Cl4 Fe4 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0302","0.0287","","","0.0788","0.0805","","","","","","0.864","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547386","9.7478","0.0014","9.7478","0.0014","23.296","0.003","90","","90","","120","","1917","0.5","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C28 H33 Au Cl Fe P -","- C28 H33 Au Cl Fe P -","- C84 H99 Au3 Cl3 Fe3 P3 -","3","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0496","0.0483","","","0.1219","0.1231","","","","","","1.063","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547387","9.6442","0.0011","15.8547","0.0015","17.74","0.002","90","","90","","90","","2712.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Fe O S -","- C32 H38 Fe O S -","- C128 H152 Fe4 O4 S4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0532","0.0439","","","0.1062","0.1108","","","","","","1.035","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547388","19.461","0.002","9.2739","0.0011","20.008","0.002","90","","112.325","0.002","90","","3340.4","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H57 Au Cl O3 P -","- C30 H57 Au Cl O3 P -","- C120 H228 Au4 Cl4 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0805","0.0687","","","0.1694","0.1771","","","","","","1.048","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547389","11.6873","0.0011","13.7576","0.0019","34.499","0.004","90","","90","","90","","5547.1","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H47 O4 P Si2 -","- C63 H47 O4 P Si2 -","- C252 H188 O16 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","1.54178","CuKα","","0.0678","0.0597","","","0.1597","0.1652","","","","","","1.269","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"1547402","14.021","0.002","14.021","0.002","15.713","0.002","90","","90","","120","","2675.1","0.6","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Lutetium Copper Oxydiacetate, hydrate","","- C24 H30 Cu3 Lu2 O36 -","- C24 H30 Cu3 Lu2 O36 -","- C48 H60 Cu6 Lu4 O72 -","2","0.0833333","","Cancino, Patricio; Paredes-Garcia, Veronica; Torres, Julia; Martínez, Sebastián; Kremer, Carlos; Spodine, Evgenia","{[Cu3Lu2(ODA)6(H2O)6]•10H2O}n . First heterometallic framework based on copper(II)/lutetium(III) for the catalytic oxidation of olefins and aromatic benzylic substrates.","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01385J","","","0.71073","MoKα","","0.0394","0.0224","","","0.0473","0.059","","","","","","1.132","","","","has coordinates","201391","2020-10-21","18:00:00",""
"1547457","9.4167","0.0006","14.0835","0.0008","17.8245","0.001","80.071","0.002","89.817","0.002","79.781","0.002","2290.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 N8 -","- C24 H30 N8 -","- C96 H120 N32 -","4","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0632","0.0444","","","0.1212","0.1343","","","","","","1.03","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547458","30.0913","0.0006","10.7187","0.0001","23.0764","0.0005","90","","116.049","0.002","90","","6687","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 F6 N8 O6 S2 -","- C26 H32 F6 N8 O6 S2 -","- C208 H256 F48 N64 O48 S16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0468","0.0378","","","0.1013","0.106","","","","","","1.024","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547459","15.7795","0.0013","8.7261","0.0008","21.0431","0.0019","90","","101.069","0.003","90","","2843.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0699","0.0537","","","0.1419","0.153","","","","","","1.047","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547460","10.335","0.0003","31.4198","0.001","9.5959","0.0003","90","","90.414","0.002","90","","3115.93","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl N2 O2 -","- C19 H15 Cl N2 O2 -","- C152 H120 Cl8 N16 O16 -","8","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0598","0.0513","","","0.1102","0.1129","","","","","","1.059","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547461","10.14276","0.00019","10.2202","0.0003","11.6711","0.0002","79.961","0.002","89.7958","0.0015","87.646","0.002","1190.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 Cl2 N8 -","- C22 H28 Cl2 N8 -","- C44 H56 Cl4 N16 -","2","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0445","0.0396","","","0.1096","0.1121","","","","","","1.055","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547462","19.4045","0.0005","7.14236","0.00016","30.4827","0.0007","90","","90","","90","","4224.72","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C232 H176 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0536","0.0437","","","0.1161","0.1227","","","","","","1.05","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547463","9.8771","0.001","10.6875","0.001","36.521","0.004","90","","96.428","0.003","90","","3831","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H17 F3 N2 O2 -","- C24 H17 F3 N2 O2 -","- C192 H136 F24 N16 O16 -","8","4","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0938","0.085","","","0.2226","0.2302","","","","","","1.076","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547464","11.5272","0.0007","12.3657","0.0007","12.7398","0.0008","100.159","0.002","112.561","0.002","92.319","0.002","1638.97","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0636","0.0473","","","0.1161","0.1259","","","","","","1.042","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547465","11.9737","0.0002","15.384","0.0003","21.9422","0.0004","70.396","0.002","80.794","0.001","74.763","0.001","3662.21","0.12","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H82 N6 O5 -","- C96 H82 N6 O5 -","- C192 H164 N12 O10 -","2","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.064","0.0465","","","0.1206","0.1301","","","","","","1.026","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547466","9.1959","0.0002","11.7982","0.0003","21.0279","0.0006","90","","100.29","0.003","90","","2244.73","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Cl N2 O3 S -","- C25 H23 Cl N2 O3 S -","- C100 H92 Cl4 N8 O12 S4 -","4","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0503","0.0395","","","0.0991","0.1045","","","","","","1.02","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547792","14.9581","0.0004","7.55701","0.0002","9.3623","0.0003","90","","107.339","0.003","90","","1010.21","0.05","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O4 Re -","- C6 H16 N O4 Re -","- C24 H64 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0189","0.0161","","","0.0367","0.0375","","","","","","1.089","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547793","9.674","0.0001","12.4192","0.0001","8.5156","0.0001","90","","108.736","0.001","90","","968.878","0.018","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N O4 Re -","- C7 H10 N O4 Re -","- C28 H40 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0157","0.015","","","0.0331","0.0333","","","","","","1.251","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547794","12.2151","0.0002","10.4607","0.0001","8.8902","0.0001","90","","105.704","0.002","90","","1093.57","0.03","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N O4 Re -","- C8 H12 N O4 Re -","- C32 H48 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0268","0.0205","","","0.0392","0.0413","","","","","","1.075","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547795","8.3466","0.0003","10.4128","0.0004","10.9082","0.0006","113.523","0.004","92.589","0.004","97.987","0.003","855.53","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 Br N O4 Re -","- C5 H5 Br N O4 Re -","- C20 H20 Br4 N4 O16 Re4 -","4","2","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.047","0.0422","","","0.1048","0.1085","","","","","","1.112","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547796","13.0504","0.0002","12.1955","0.0002","12.2542","0.0002","90","","95.553","0.002","90","","1941.18","0.05","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 N O4 Re -","- C6 H14 N O4 Re -","- C48 H112 N8 O32 Re8 -","8","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0172","0.0156","","","0.0337","0.0343","","","","","","1.157","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547797","8.9052","0.0002","8.4384","0.0001","10.9159","0.0002","90","","90.016","0.002","90","","820.28","0.03","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H24 N O4 Re -","- C14 H24 N O4 Re -","- C28 H48 N2 O8 Re2 -","2","0.5","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0214","0.0203","","","0.0442","0.0445","","","","","","1.308","","","","has coordinates,has disorder","202333","2020-10-21","18:00:00",""
"1547798","5.2446","0.0001","12.7123","0.0002","12.802","0.0002","90","","95.597","0.001","90","","849.45","0.02","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N O4 Re -","- C5 H5 Cl N O4 Re -","- C20 H20 Cl4 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.02","0.0181","","","0.0467","0.0477","","","","","","1.092","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547864","9.7977","0.0002","32.2237","0.0006","12.8805","0.0003","90","","110.07","0.003","90","","3819.66","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 F3 Ir N4 O3 S -","- C43 H38 F3 Ir N4 O3 S -","- C172 H152 F12 Ir4 N16 O12 S4 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","0.71073","MoKα","","0.0394","0.0328","","","0.0635","0.066","","","","","","1.125","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547865","16.7446","0.0004","8.57762","0.00018","21.5557","0.0005","90","","112.277","0.003","90","","2864.94","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 Cl3 Ir N3 -","- C32 H27 Cl3 Ir N3 -","- C128 H108 Cl12 Ir4 N12 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","1.5418","CuKα","","0.0484","0.0385","","","0.1049","0.1114","","","","","","1.096","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547866","17.0427","0.0006","8.6872","0.0003","21.3383","0.0006","90","","109.838","0.004","90","","2971.73","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 Ir N3 -","- C33 H29 Cl3 Ir N3 -","- C132 H116 Cl12 Ir4 N12 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","1.54184","CuKα","","0.047","0.0334","","","0.0737","0.0839","","","","","","1.071","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1548131","14.6367","0.0007","11.0939","0.0006","14.9574","0.0007","90","","93.785","0.002","90","","2423.5","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Ir2 N2 O4 P4 -","- C44 H66 Ir2 N2 O4 P4 -","- C88 H132 Ir4 N4 O8 P8 -","2","0.5","","Cano, Israel; Martínez-Prieto, Luis M.; Vendier, Laure; van Leeuwen, Piet W. N. M.","An iridium‒SPO complex as bifunctional catalyst for the highly selective hydrogenation of aldehydes","Catalysis Science & Technology","2018","8","1","221","","10.1039/C7CY01953J","","","0.71073","MoKα","","0.0285","0.0243","","","0.0734","0.0856","","","","","","1.293","","","","has coordinates","227959","2020-10-21","18:00:00",""
"1548132","10.52378","0.00008","10.52378","0.00008","30.7376","0.0004","90","","90","","90","","3404.19","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","","","- C44 H42 Mn -","- C44 H42 Mn -","- C176 H168 Mn4 -","4","1","","Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes","Catalysis Science & Technology","2018","8","1","229","","10.1039/C7CY02086D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0376","0.0372","","","0.0995","0.0999","","","","","","1.067","","","","has coordinates","227960","2020-10-21","18:00:00",""
"1548133","27.9963","0.0007","10.5409","0.0003","19.1609","0.0005","90","","100.453","0.002","90","","5560.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(trenpy3)](ClO4)2","","","- C24 H27 Cl2 Co N7 O8 -","- C24 H27 Cl2 Co N7 O8 -","- C192 H216 Cl16 Co8 N56 O64 -","8","1","","Leung, C.-F.; Cheng, S.-C.; Yang, Y.; Xiang, J.; Yiu, S.-M.; Ko, C.-C.; Lau, T.-C.","Efficient photocatalytic water reduction by a cobalt(ii) tripodal iminopyridine complex","Catalysis Science & Technology","2018","8","1","307","","10.1039/C7CY01524K","","","1.54178","CuKα","","0.0652","0.0482","","","0.1281","0.1423","","","","","","1.044","","","","has coordinates","227958","2020-10-21","18:00:00",""
"1548157","20.4693","0.0001","20.4693","0.0001","19.1467","0.0003","90","","90","","90","","8022.32","0.14","173","0.1","173","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C30 H44 N6 O12 S2 Zn2 -","- C30 H44 N6 O12 S2 Zn2 -","- C240 H352 N48 O96 S16 Zn16 -","8","1","","Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing","N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst","Catalysis Science & Technology","2018","8","1","335","","10.1039/C7CY02265D","","","0.71073","MoKα","","0.0388","0.0337","","","0.0741","0.0768","","","","","","1.028","","","","has coordinates","227961","2020-10-21","18:00:00",""
"1548362","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Landge, Vinod G.; Pitchaimani, Jayaraman; Midya, Siba P.; Subaramanian, Murugan; Madhu, Vedichi; Balaraman, Ekambaram","Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes","Catalysis Science & Technology","2018","8","2","428","","10.1039/C7CY01994G","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227968","2020-10-21","18:00:00",""
"1548586","19.942","0.002","10.9697","0.0007","24.135","0.002","90","","112.7","0.011","90","","4870.7","0.8","250","2","250","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C200 H136 Au8 Cl8 F32 N16 O8 P8 -","8","2","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0895","0.0486","","","0.1096","0.1371","","","","","","1.04","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548587","16.0034","0.0005","8.3754","0.0002","19.2521","0.0005","90","","111.188","0.003","90","","2406.01","0.12","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C100 H68 Au4 Cl4 F16 N8 O4 P4 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0389","0.0258","","","0.0566","0.0598","","","","","","1.058","","","","has coordinates","227979","2020-10-21","18:00:00",""
"1548588","11.051","0.003","15.816","0.004","16.857","0.005","109.459","0.003","103.933","0.005","104.747","0.005","2509.4","1.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C75.7 H52.58 Au4 Cl14.22 F8 N4 P4 -","2","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","","0.71075","MoKα","","0.1239","0.1038","","","0.2582","0.2689","","","","","","1.119","","","","has coordinates","227979","2020-10-21","18:00:00",""
"1548589","18.453","0.0016","18.5065","0.0019","11.1568","0.0013","90","","97.085","0.01","90","","3781","0.7","250","","250","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C147.2 H99.2 Au8 Cl17.6 F16 N8 P8 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0727","0.0403","","","0.0991","0.1115","","","","","","1.029","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548784","12.6797","0.0003","13.5123","0.0004","23.948","0.0007","90","","90","","90","","4103.1","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C156.4 H98 Fe12 N8.4 O62.8 -","4","1","","Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S.","A new transformation of coumarins via direct C‒H bond activation utilizing an iron‒organic framework as a recyclable catalyst","Catalysis Science & Technology","2018","8","5","1267","","10.1039/C7CY02139A","","","1.54178","CuKα","","0.1408","0.1027","","","0.243","0.2701","","","","","","1.064","","","","has coordinates","227964","2020-10-21","18:00:00",""
"1548827","18.2412","0.0002","14.5616","0.0002","23.1101","0.0004","90","","90","","90","","6138.53","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Cl3 Cr N7 O2 -","- C27 H33 Cl3 Cr N7 O2 -","- C216 H264 Cl24 Cr8 N56 O16 -","8","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","0.71073","MoKα","","0.0527","0.0371","","","0.1003","0.1042","","","","","","1.097","","","","has coordinates","227963","2020-10-21","18:00:00",""
"1548828","18.3091","0.0003","11.3311","0.0002","13.9361","0.0002","90","","100.163","0.0016","90","","2845.85","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl3 Cr N7 O2 -","- C25 H33 Cl3 Cr N7 O2 -","- C100 H132 Cl12 Cr4 N28 O8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","1.54184","CuKα","","0.0789","0.0633","","","0.1251","0.1294","","","","","","1.15","","","","has coordinates,has disorder","227963","2020-10-21","18:00:00",""
"1549079","12.139","0.009","15.53","0.011","24.301","0.017","90","","98.77","0.011","90","","4528","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N6 O4 Ru -","- C43 H29 N6 O4 Ru -","- C172 H116 N24 O16 Ru4 -","4","1","","Xiang, Wenjing; Li, Lin; Dai, Zengjin; Meng, Xianggao; Li, Renjie; Zhang, Jing; Peng, Tianyou","TiO2 modified with a Ru(ii)‒N′NN′ 8-hydroxyquinolyl complex for efficient gaseous photoreduction of CO2","Catalysis Science & Technology","2018","8","8","2098","","10.1039/C8CY00158H","","","0.71073","MoKα","","0.1226","0.0744","","","0.1868","0.2145","","","","","","0.832","","","","has coordinates,has disorder","227962","2020-10-21","18:00:00",""
"1549242","8.6949","0.0006","13.9549","0.0009","19.9508","0.0015","90","","90","","90","","2420.8","0.3","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 F3 Mn O6 P2 S -","- C18 H32 F3 Mn O6 P2 S -","- C72 H128 F12 Mn4 O24 P8 S4 -","4","1","","Garduño, Jorge A.; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.","Mn(i) organometallics containing the iPr2P(CH2)2PiPr2 ligand for the catalytic hydration of aromatic nitriles","Catalysis Science & Technology","2018","8","10","2606","","10.1039/C8CY00416A","","","0.71073","MoKα","","0.1202","0.0766","","","0.1661","0.197","","","","","","1.054","","","","has coordinates,has disorder","227956","2020-10-21","18:00:00",""
"1549488","11.6869","0.0005","8.8935","0.0004","8.551","0.0004","90","","90.223","0.001","90","","888.76","0.07","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H20 Cl2 O6 Pd -","- C15 H20 Cl2 O6 Pd -","- C30 H40 Cl4 O12 Pd2 -","2","0.25","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0217","0.0217","","","0.0555","0.0555","","","","","","1.069","","","","has coordinates","227977","2020-10-21","18:00:00",""
"1549489","4.7881","0.0008","7.9629","0.0013","8.7923","0.0015","80.994","0.003","77.33","0.003","72.621","0.003","310.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","1","0.5","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0321","0.0307","","","0.0585","0.0593","","","","","","1.031","","","","has coordinates","227977","2020-10-21","18:00:00",""
"1549495","15.0632","0.0004","12.3425","0.0003","16.2371","0.0004","90","","107.643","0.0013","90","","2876.77","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl Ir N O7 P -","- C26 H44 Cl Ir N O7 P -","- C104 H176 Cl4 Ir4 N4 O28 P4 -","4","1","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0495","0.0385","","","0.0882","0.0936","","","","","","1.026","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549496","7.7588","0.0006","15.5942","0.0012","24.116","0.0019","89.185","0.004","82.743","0.004","89.582","0.005","2894.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Ir N O7 P -","- C26 H43 Ir N O7 P -","- C104 H172 Ir4 N4 O28 P4 -","4","2","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0299","0.0246","","","0.0511","0.0526","","","","","","1.068","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549588","6.7562","0.0004","7.5182","0.0005","8.7692","0.0005","107.83","0.0018","98.976","0.0017","113.06","0.0018","370.28","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C17 H16 O2 Se -","1","1","","García-López, Diego; Civit, Marc G.; Vogels, Christopher M.; Ricart, Josep M.; Westcott, Stephen A.; Fernández, Elena; Carbó, Jorge J.","Understanding the mechanism of transition metal-free anti addition to alkynes: the selenoboration case","Catalysis Science & Technology","2018","8","14","3617","","10.1039/C7CY02295F","","","0.71073","MoKα","","0.0198","0.0187","","","0.0573","0.0729","","","","","","1.303","","","","has coordinates","227973","2020-10-21","18:00:00",""
"1549589","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549590","6.838","0.0014","13.077","0.003","13.377","0.003","89.44","0.03","78.44","0.03","82.78","0.03","1162.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H29 B2 Cl2 Co F8 N5 O -","- C15 H29 B2 Cl2 Co F8 N5 O -","- C30 H58 B4 Cl4 Co2 F16 N10 O2 -","2","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.63","synchrotron","","0.066","0.046","","","0.1219","0.1304","","","","","","0.97","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549609","31.977","0.0019","18.3536","0.0013","14.7633","0.0009","90","","91.413","0.006","90","","8661.8","1","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu3 N10 O15 -","- C28 H18 Cu3 N10 O15 -","- C224 H144 Cu24 N80 O120 -","8","1","","Ahmad, Nazir; Younus, Hussein A.; Chughtai, Adeel H.; Van Hecke, Kristof; Khattak, Zafar A. K.; Gaoke, Zhang; Danish, Muhammad; Verpoort, Francis","Synthesis of 2D MOF having potential for efficient dye adsorption and catalytic applications","Catalysis Science & Technology","2018","8","16","4010","","10.1039/C8CY00579F","","","1.54184","CuKα","","0.1055","0.0777","","","0.1912","0.2179","","","","","","0.946","","","","has coordinates","227970","2020-10-21","18:00:00",""
"1549715","18.998","0.006","15.678","0.004","20.236","0.009","90","","100.84","0.04","90","","5920","4","80","2","80","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H157 K2 Mn8 N O42 -","- C86 H157 K2 Mn8 N O42 -","- C172 H314 K4 Mn16 N2 O84 -","2","0.5","","Mousazade, Younes; Mohammadi, Mohammad Reza; Chernev, Petko; Bikas, Rahman; Bagheri, Robabeh; Song, Zhenlun; Lis, Tadeusz; Dau, Holger; Najafpour, Mohammad Mahdi","Water oxidation by a manganese‒potassium cluster: Mn oxide as a kinetically dominant “true” catalyst for water oxidation","Catalysis Science & Technology","2018","8","17","4390","","10.1039/C8CY01151F","","","0.71073","MoKα","","0.153","0.0728","","","0.1233","0.1486","","","","","","1.05","","","","has coordinates,has disorder","227966","2020-10-21","18:00:00",""
"1549739","16.501","0.004","6.6194","0.0018","13.21","0.004","90","","90","","90","","1442.9","0.7","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.19 Al I0.82 O5 -","- C8 H4.184 Al I0.816 O5 -","- C32 H16.736 Al4 I3.264 O20 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1326","0.127","","","0.3491","0.3533","","","","","","1.123","","","","has coordinates,has disorder","227965","2020-10-21","18:00:00",""
"1549740","17.107","0.011","6.622","0.004","12.229","0.008","90","","90","","90","","1385.3","1.5","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.3 Al I0.7 O5.25 -","- C8 H4.3 Al I0.7 O5.25 -","- C32 H17.2 Al4 I2.8 O21 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1215","0.1067","","","0.2786","0.2903","","","","","","1.149","","","","has coordinates","227965","2020-10-21","18:00:00",""
"1549749","10.855","0.0004","28.6007","0.0012","10.8441","0.0004","90","","119.239","0.001","90","","2937.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Rh2 S2 -","- C31 H53 Rh2 S2 -","- C124 H212 Rh8 S8 -","4","1","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0737","0.0595","","","0.117","0.123","","","","","","1.072","","","","has coordinates","227967","2020-10-21","18:00:00",""
"1549750","8.734","0.003","26.987","0.008","8.39","0.002","90","","90","","90","","1977.6","1","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H74 Rh2 S2 -","- C40 H74 Rh2 S2 -","- C80 H148 Rh4 S4 -","2","0.5","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0613","0.0479","","","0.0972","0.1026","","","","","","1.129","","","","has coordinates,has disorder","227967","2020-10-21","18:00:00",""
"1549855","8.268","0.0006","11.8794","0.0007","12.9943","0.0007","71.395","0.005","78.04","0.005","70.734","0.006","1134.41","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Cl2 N Si Ti -","- C21 H33 Cl2 N Si Ti -","- C42 H66 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0464","0.0368","","","0.1195","0.1286","","","","","","1.174","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549856","9.966","0.0002","12.4507","0.0004","15.2615","0.0004","112.445","0.003","108.902","0.002","90.786","0.002","1635.29","0.09","150","2","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 Cl2 N Si Ti -","- C32 H49 Cl2 N Si Ti -","- C64 H98 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.043","0.0403","","","0.1148","0.1188","","","","","","0.947","","","","has coordinates,has disorder","227975","2020-10-21","18:00:00",""
"1549857","11.5225","0.0002","12.9843","0.0002","15.2891","0.0002","90","","104.979","0.002","90","","2209.7","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl2 N Si Ti -","- C20 H31 Cl2 N Si Ti -","- C80 H124 Cl8 N4 Si4 Ti4 -","4","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0337","0.0302","","","0.0897","0.0937","","","","","","0.956","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549858","16.13031","0.00015","14.54437","0.00012","17.33703","0.00017","90","","90","","90","","4067.36","0.06","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N O3 -","- C23 H26 Ir N O3 -","- C184 H208 Ir8 N8 O24 -","8","1","","Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida","Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines","Catalysis Science & Technology","2018","8","24","6316","","10.1039/C8CY01236A","","x-ray","1.54184","CuKα","","0.0191","0.0172","","","0.0437","0.045","","","","","","1.042","","","","has coordinates","227954","2020-10-21","18:00:00",""
"1549873","9.7423","0.0003","11.066","0.0004","12.1673","0.0004","100.717","0.003","104.685","0.003","96.543","0.003","1228.72","0.08","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cl Ir N2 -","- C28 H34 Cl Ir N2 -","- C56 H68 Cl2 Ir2 N4 -","2","1","","Wong, Chin Min; Fekete, Marianna; Nelson-Forde, Rhianna; Gatus, Mark R. D.; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.; Messerle, Barbara A.","Harnessing asymmetric N-heterocyclic carbene ligands to optimise SABRE hyperpolarisation.","Catalysis science & technology","2018","8","19","4925","4933","10.1039/c8cy01214h","","x-ray","1.54184","CuKα","","0.0172","0.0167","","","0.0413","0.0415","","","","","","1.085","","","","has coordinates,has disorder","227969","2020-10-21","18:00:00",""
"1549904","7.4134","0.0003","8.4142","0.0003","12.1239","0.0004","84.72","0.003","88.99","0.003","84.549","0.003","749.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","NLL153","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.7107","MoKα","","0.0477","0.0366","","","0.0852","0.0894","","","","","","1.033","","","","has coordinates","227971","2020-10-21","18:00:00",""
"1549905","6.2605","0.0004","9.8392","0.0006","12.7844","0.0007","67.7938","0.0014","88.4599","0.0015","84.1325","0.0016","725.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","HFP1255","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.71073","MoKα","","0.0416","0.0364","","","0.0984","0.1026","","","","","","1.025","","","","has coordinates","227971","2020-10-21","18:00:00",""
"1549933","22.637","0.006","9.781","0.003","23.089","0.006","90","","118.062","0.004","90","","4511","2","203","2","203","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C49 H50 N6 O Y -","- C49 H50 N6 O Y -","- C196 H200 N24 O4 Y4 -","4","1","","Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng","Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates","Catalysis Science & Technology","2018","8","21","5573","","10.1039/C8CY01481G","","","0.71073","MoKα","","0.0584","0.0437","","","0.1321","0.1459","","","","","","1.051","","","","has coordinates","227976","2020-10-21","18:00:00",""
"1550033","20.808","0.003","31.071","0.002","12.2164","0.0011","90","","90.694","0.011","90","","7897.6","1.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 B Cl2 Cu F4 N8 -","- C37 H46 B Cl2 Cu F4 N8 -","- C296 H368 B8 Cl16 Cu8 F32 N64 -","8","2","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.2276","0.2039","","","0.4806","0.5109","","","","","","1.855","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550034","12.3905","0.0003","19.0233","0.0005","14.481","0.0003","90","","102.996","0.002","90","","3325.86","0.14","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C134 H164 Cl4 Cu4 F12 N16 O12 S4 -","4","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.0549","0.0397","","","0.0984","0.1092","","","","","","1.039","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550035","9.1002","0.0005","10.9858","0.0006","19.3481","0.0007","89.693","0.004","79.192","0.004","82.793","0.004","1884.64","0.16","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cu F3 N4 O3 S -","- C37 H44 Cu F3 N4 O3 S -","- C74 H88 Cu2 F6 N8 O6 S2 -","2","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","0.71073","MoKα","","0.0703","0.0504","","","0.1138","0.1271","","","","","","1.021","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550044","8.5611","0.0002","10.9802","0.0002","13.2254","0.0002","109.051","0.001","102.4","0.001","90.413","0.001","1143.69","0.04","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 I Ir N4 -","- C22 H26 I Ir N4 -","- C44 H52 I2 Ir2 N8 -","2","1","","Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta","Iridium‒NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple","Catalysis Science & Technology","2018","8","23","6137","","10.1039/C8CY02069H","","x-ray","0.71073","MoKα","","0.025","0.0237","","","0.0558","0.0563","","","","","","1.037","","","","has coordinates","227974","2020-10-21","18:00:00",""
"1550236","9.7438","0.0015","9.9224","0.0016","10.984","0.0019","64.086","0.006","78.354","0.007","63.503","0.006","854.8","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-dimethylaniline","","- C22 H23 N -","- C22 H23 N -","- C44 H46 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.1115","0.0778","","","0.2647","0.2795","","","","","","1.125","","","","has coordinates","227955","2020-10-21","18:00:00",""
"1550237","8.3046","0.0002","10.7954","0.0002","12.0469","0.0002","109.64","0.0009","100.96","0.0008","104.352","0.0009","940.16","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-diethylaniline","","- C24 H27 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.0607","0.0456","","","0.1194","0.1296","","","","","","1.054","","","","has coordinates","227955","2020-10-21","18:00:00",""
"1550265","24.715","0.005","23.137","0.004","13.595","0.003","90","","90","","90","","7774","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C38 H60 Mo13 N10 O34 -","- C37 H39 Mo13 N9 O36 -","- C148 H156 Mo52 N36 O144 -","4","0.25","","Luo, Benlong; Sang, Rui-LI; Lin, Lifang; Xu, Li","Mo3IV-Polyoxomolybdates with Frustrated Lewis Pairs For High-Performance Hydrogenation Catalysis","Catalysis Science & Technology","2019","","","","","10.1039/C8CY01771A","","","0.71073","MoKα","","0.0394","0.0356","","","0.0953","0.0985","","","","","","1.046","","","","has coordinates","212087","2020-10-21","18:00:00",""
"1550279","7.6862","0.0003","11.1085","0.0004","17.7851","0.0006","72.8236","0.001","88.0499","0.0011","70.2746","0.001","1362.03","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl4 Co2 N4 S2 -","- C20 H32 Cl4 Co2 N4 S2 -","- C40 H64 Cl8 Co4 N8 S4 -","2","1","","Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G.","Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02218F","","","0.71073","MoKα","","0.0236","0.0214","","","0.0537","0.0554","","","","","","1.049","","","","has coordinates","212157","2020-10-21","18:00:00",""
"1550280","7.0681","0.0009","9.014","0.0012","12.2372","0.0015","108.21","0.004","98.899","0.004","99.291","0.005","713.18","0.16","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C11 H18 Cl2 Co N2 S -","- C11 H18 Cl2 Co N2 S -","- C22 H36 Cl4 Co2 N4 S2 -","2","1","","Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G.","Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02218F","","x-ray","0.71073","MoKα","","0.0364","0.0336","","","0.0838","0.0852","","","","","","1.113","","","","has coordinates","212157","2020-10-21","18:00:00",""
"1550289","11.961","0.001","16.591","0.001","26.614","0.002","93.877","0.006","90.681","0.006","98.321","0.007","5212.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53.5 H66 Cl3 N4 O1.5 Ru -","- C53.5 H66 Cl3 N4 O1.5 Ru -","- C214 H264 Cl12 N16 O6 Ru4 -","4","2","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","x-ray","0.71073","MoKα","","0.1584","0.0815","","","0.187","0.2286","","","","","","0.982","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550290","11.206","0.0003","15.0047","0.0004","33.7602","0.001","90","","96.909","0.003","90","","5635.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H82 Cl2 N4 Ru -","- C63 H82 Cl2 N4 Ru -","- C252 H328 Cl8 N16 Ru4 -","4","1","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71073","MoKα","","0.1651","0.0467","","","0.0505","0.0636","","","","","","0.685","","","","has coordinates","212180","2020-10-21","18:00:00",""
"1550291","12.017","0.002","12.562","0.002","16.608","0.002","80.103","0.01","89.839","0.01","70.644","0.01","2326.2","0.6","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H62 Cl2 N4 Ru -","- C53 H62 Cl2 N4 Ru -","- C106 H124 Cl4 N8 Ru2 -","2","1","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71069","MoKα","","0.1877","0.0589","","","0.0834","0.1047","","","","","","0.715","","","","has coordinates","212180","2020-10-21","18:00:00",""
"1550292","21.792","0.0005","10.9906","0.0002","22.5146","0.0005","90","","107.445","0.002","90","","5144.4","0.2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Cl4 N4 Ru -","- C56 H68 Cl4 N4 Ru -","- C224 H272 Cl16 N16 Ru4 -","4","1","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71073","MoKα","","0.0982","0.0425","","","0.0727","0.0801","","","","","","0.804","","","","has coordinates","212180","2020-10-21","18:00:00",""
"1550400","10.9047","0.0004","11.6314","0.0005","19.7689","0.0009","95.343","0.004","101.998","0.003","100.664","0.003","2387.6","0.18","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H66 Cl2 N4 Ru -","- C55 H66 Cl2 N4 Ru -","- C110 H132 Cl4 N8 Ru2 -","2","1","","Dumas, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénael; Tripoteau, Fabien; Caijo, Frédéric; Queval, Pierre; Rouen, Mathieu; Baslé, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71073","MoKα","","0.0986","0.0477","","","0.0583","0.0649","","","","","","0.768","","","","has coordinates","212894","2020-10-21","18:00:00",""
"1550519","6.4192","0.0004","32.5924","0.0018","11.989","0.0006","90","","99.366","0.004","90","","2474.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NCL830","","","- C26 H34 B N O4 S -","- C26 H34 B N O4 S -","- C104 H136 B4 N4 O16 S4 -","4","1","","Cabrera-Lobera, Natalia; Quirós, M. Teresa; Buñuel, Elena; Cardenas, Diego J.","Atom-Economical Regioselective Ni-Catalyzed Hydroborylative Cyclization of Enynes: Development and Mechanism","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02568A","","","0.71073","MoKα","","0.1042","0.0514","","","0.1","0.1257","","","","","","1.005","","","","has coordinates","213299","2020-10-21","18:00:00",""
"1550589","13.217","0.007","20.737","0.01","16.3","0.009","90","","112.083","0.009","90","","4140","4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H61 Cl N4 Ni O2 -","- C45 H60 Cl N4 Ni O2 -","- C180 H240 Cl4 N16 Ni4 O8 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","0.1193","0.0943","","","0.2715","0.2948","","","","","","1.093","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550590","13.1252","0.0019","20.65","0.003","16.188","0.003","90","","112.956","0.004","90","","4040","1.1","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Br N4 Ni O2 -","- C45 H52 Br N4 Ni O2 -","- C180 H208 Br4 N16 Ni4 O8 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0634","","","","0.204","","","","","","1.029","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550591","14.185","0.01","10.668","0.007","25.257","0.017","90","","94.686","0.01","90","","3809","4","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 N5 Ni -","- C45 H50 N5 Ni -","- C180 H200 N20 Ni4 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.159","","","","0.4081","","","","","","1.212","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550592","12.62","0.003","16.578","0.003","20.317","0.004","77.4","0.006","84.597","0.006","86.947","0.008","4127.5","1.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H104 Br2 N8 Ni2 O -","- C94 H104 Br2 N8 Ni2 O -","- C188 H208 Br4 N16 Ni4 O2 -","2","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","0.0624","0.0495","","","0.0998","0.1056","","","","","","1.08","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550593","11.812","0.003","21.544","0.004","16.48","0.004","90","","91.636","0.004","90","","4192.1","1.7","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 N5 Ni -","- C49 H54 N5 Ni -","- C196 H216 N20 Ni4 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0592","","","","0.1458","","","","","","1.146","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550594","29.913","0.004","13.087","0.0011","20.428","0.002","90","","99.079","0.005","90","","7896.8","1.5","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 N3 Ni -","- C46 H46 N3 Ni -","- C368 H368 N24 Ni8 -","8","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0587","","","","0.1841","","","","","","1.24","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550595","12.662","0.005","12.701","0.005","16.94","0.006","72.52","0.013","78.286","0.013","84.831","0.013","2543.1","1.7","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H69 N5 Ni O -","- C58 H69 N5 Ni O -","- C116 H138 N10 Ni2 O2 -","2","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0642","","","","0.1884","","","","","","1.09","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550632","5.9659","0.0003","16.3145","0.0007","14.5127","0.0006","90","","99.253","0.003","90","","1394.15","0.11","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O S -","- C15 H18 N2 O S -","- C60 H72 N8 O4 S4 -","4","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.0792","0.0455","","","0.0951","0.1086","","","","","","1.04","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550633","16.151","0.015","7.314","0.007","19.036","0.019","90","","90","","90","","2249","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C96 H96 O16 S8 -","8","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.1591","0.0847","","","0.2319","0.3243","","","","","","1.048","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550634","7.5382","0.0002","12.2061","0.0003","10.8739","0.0003","90","","95.949","0.002","90","","995.14","0.05","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O S -","- C9 H14 N2 O S -","- C36 H56 N8 O4 S4 -","4","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.0736","0.0529","","","0.1292","0.1401","","","","","","1.063","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550635","11.978","0.006","7.388","0.004","16.198","0.008","90","","109.288","0.009","90","","1353","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.1123","0.0834","","","0.2367","0.2561","","","","","","1.086","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550749","12.569","0.002","22.176","0.003","3.6728","0.0006","90","","90","","90","","1023.7","0.3","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H9 N7 O -","- C9 H9 N7 O -","- C36 H36 N28 O4 -","4","1","","Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang","A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00191C","","","0.71073","MoKα","","0.0478","0.0366","","","0.08","0.0865","","","","","","1.061","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550750","20.1497","0.0019","7.1876","0.0007","34.937","0.004","90","","94.669","0.003","90","","5043.1","0.9","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N14 Ni3 O22 -","- C36 H40 N14 Ni3 O22 -","- C144 H160 N56 Ni12 O88 -","4","0.5","","Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang","A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00191C","","","0.71073","MoKα","","0.0852","0.0483","","","0.1178","0.1319","","","","","","1.032","","","","has coordinates,has disorder","214131","2020-10-21","18:00:00",""
"1550762","13.3638","0.0003","34.6037","0.0006","18.3685","0.0004","90","","102.6","0.002","90","","8289.7","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 Cl2 Fe N3 O -","- C45 H61 Cl2 Fe N3 O -","- C360 H488 Cl16 Fe8 N24 O8 -","8","2","","Wang, Zheng; Zhang, Randi; Zhang, Wenjuan; Solan, Gregory; Liu, Qingbin; tongling, liang; Sun, Wen Hua","Enhancing thermostability of iron ethylene polymerization catalysts through N,N,N-chelation of doubly fused α,α′-bis(arylimino)-2,3:5,6-bis(hexamethylene)pyridines","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00293F","","","0.71073","MoKα","","0.1373","0.1006","","","0.2461","0.2641","","","","","","1.094","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550763","12.228","0.002","21.82","0.004","16.338","0.003","90","","104.2","0.03","90","","4226","1.4","175.15","","175.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Cl4 Fe2 N3 O -","- C41 H55 Cl4 Fe2 N3 O -","- C164 H220 Cl16 Fe8 N12 O4 -","4","1","","Wang, Zheng; Zhang, Randi; Zhang, Wenjuan; Solan, Gregory; Liu, Qingbin; tongling, liang; Sun, Wen Hua","Enhancing thermostability of iron ethylene polymerization catalysts through N,N,N-chelation of doubly fused α,α′-bis(arylimino)-2,3:5,6-bis(hexamethylene)pyridines","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00293F","","","0.71073","MoKα","","0.0943","0.084","","","0.1395","0.1445","","","","","","1.0385","","","","has coordinates,has disorder","214225","2020-10-21","18:00:00",""
"1550781","11.6422","0.0002","12.1336","0.0002","17.7687","0.0003","76.661","0.001","89.632","0.001","84.551","0.001","2430.98","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H81 As2 Co K5 Mo12 N6 O74 -","- C42 H36 As2 Co K5 Mo12 N6 O74 -","- C42 H36 As2 Co K5 Mo12 N6 O74 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0493","0.0368","","","0.0919","0.1008","","","","","","1.045","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550782","11.6585","0.0005","12.1103","0.0005","17.742","0.0007","76.859","0.002","89.702","0.003","84.663","0.003","2428.46","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H83 As2 K5 Mo12 N6 Ni O75 -","- C42 H36 As2 K5 Mo12 N6 Ni O75 -","- C42 H36 As2 K5 Mo12 N6 Ni O75 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0584","0.0414","","","0.1065","0.1152","","","","","","1.028","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550783","11.7267","0.0012","12.4654","0.0013","18.6945","0.0019","74.384","0.004","85.99","0.004","84.238","0.004","2615.9","0.5","220","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H86 Co Cs4 Mo12 N6 Na2 O78 Te2 -","- C42 H36 Co Cs4 Mo12 N6 Na2 O78 Te2 -","- C42 H36 Co Cs4 Mo12 N6 Na2 O78 Te2 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0418","0.0375","","","0.0956","0.0982","","","","","","1.021","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550784","11.6855","0.0004","12.386","0.0006","18.6191","0.0008","74.699","0.003","85.651","0.003","83.954","0.003","2581.64","0.19","220","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H75 Cs4 K Mo12 N6 O72 Te2 Zn -","- C42 H36 Cs4 K Mo12 N6 O72 Te2 Zn -","- C42 H36 Cs4 K Mo12 N6 O72 Te2 Zn -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0619","0.0508","","","0.134","0.142","","","","","","1.053","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550785","13.8787","0.0003","23.7424","0.0005","15.8044","0.0003","90","","120.032","0.001","90","","4508.6","0.17","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H78 As2 Co2 Mo12 N4 O75 Rb2 -","- C16 H34 As2 Co2 Mo12 N4 O75 Rb2 -","- C32 H68 As4 Co4 Mo24 N8 O150 Rb4 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0644","0.0556","","","0.1483","0.1528","","","","","","1.137","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550786","13.8717","0.0009","23.7484","0.0013","15.8204","0.0009","90","","119.884","0.004","90","","4518.8","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H82 As2 Mo12 N4 O77 Rb2 Zn2 -","- C16 H34 As2 Mo12 N4 O77 Rb2 Zn2 -","- C32 H68 As4 Mo24 N8 O154 Rb4 Zn4 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0871","0.0753","","","0.1729","0.1779","","","","","","1.189","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550787","11.651","0.003","12.303","0.004","18.63","0.005","74.094","0.012","85.386","0.013","84.132","0.012","2550.9","1.3","220","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H83 Cs4 K Mn Mo12 N6 O76 Te2 -","- C42 H36 Cs4 K Mn Mo12 N6 O76 Te2 -","- C42 H36 Cs4 K Mn Mo12 N6 O76 Te2 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0556","0.0504","","","0.1403","0.1452","","","","","","1.048","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550788","11.6211","0.0005","12.093","0.0005","17.7264","0.0007","76.501","0.001","89.846","0.001","84.725","0.001","2411.63","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H85 As2 K5 Mn Mo12 N6 O76 -","- C42 H36 As2 K5 Mn Mo12 N6 O76 -","- C42 H36 As2 K5 Mn Mo12 N6 O76 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0337","0.029","","","0.074","0.0769","","","","","","0.958","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550789","13.702","0.002","23.542","0.003","15.546","0.002","90","","119.466","0.011","90","","4366","1.1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C16 H71 As2 K2 Mn2 Mo12 N4 Na O72 -","- C16 H34 As2 K2 Mn2 Mo12 N4 Na O72 -","- C32 H68 As4 K4 Mn4 Mo24 N8 Na2 O144 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0579","0.047","","","0.1329","0.1412","","","","","","1.047","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550790","11.6516","0.0011","12.123","0.0012","17.7391","0.0017","76.692","0.002","89.874","0.002","84.635","0.002","2427.2","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H81 As2 K5 Mo12 N6 O74 Zn -","- C42 H36 As2 K5 Mo12 N6 O74 Zn -","- C42 H36 As2 K5 Mo12 N6 O74 Zn -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0699","0.047","","","0.1145","0.1306","","","","","","1.055","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550791","11.686","0.009","12.336","0.01","18.569","0.015","75.76","0.014","86.017","0.013","84.106","0.012","2578","4","220","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H70 Cs4 K2 Mo12 N6 Ni O70 Te2 -","- C42 H36 Cs4 K2 Mo12 N6 Ni O70 Te2 -","- C42 H36 Cs4 K2 Mo12 N6 Ni O70 Te2 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0687","0.0594","","","0.1661","0.1758","","","","","","1.03","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550792","13.842","0.0004","23.8125","0.0008","14.9785","0.0006","90","","113.996","0.002","90","","4510.4","0.3","293","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H99 As2 Mo12 N4 Na Ni2 O86 Rb2 -","- C16 H34 As2 Mo12 N4 Na Ni2 O86 Rb2 -","- C32 H68 As4 Mo24 N8 Na2 Ni4 O172 Rb4 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0678","0.0481","","","0.0979","0.1056","","","","","","1.066","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550881","5.7841","0.0004","12.278","0.0007","11.6933","0.0008","90","","102.57","0.007","90","","810.52","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.","","- C20 H11 Br O4 S -","- C20 H11 Br O4 S -","- C40 H22 Br2 O8 S2 -","2","1","","Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N.","Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00384C","","x-ray","0.71073","MoKα","","0.0491","0.0347","","","0.0807","0.0887","","","","","","1.037","","","","has coordinates","214635","2020-10-21","18:00:00",""
"1550882","8.0446","0.0008","9.3059","0.0009","11.5017","0.0015","106.28","0.01","102.659","0.01","90.396","0.008","804.28","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.","","- C20 H11 Br O2 S -","- C20 H11 Br O2 S -","- C40 H22 Br2 O4 S2 -","2","1","","Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N.","Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00384C","","x-ray","0.71073","MoKα","","0.1078","0.051","","","0.1194","0.1548","","","","","","1.024","","","","has coordinates","214635","2020-10-21","18:00:00",""
"1550883","18.217","0.003","7.6976","0.0008","20.1851","0.0017","90","","98.631","0.011","90","","2798.4","0.6","293","2","293","2","","","","","","","","7","I 1 a 1","I -2ya","9","","Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.","","- C32 H29 B F2 N2 O S2 -","- C32 H29 B F2 N2 O S2 -","- C128 H116 B4 F8 N8 O4 S8 -","4","1","","Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N.","Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00384C","","x-ray","0.71073","MoKα","","0.1333","0.0736","","","0.1863","0.2429","","","","","","1.013","","","","has coordinates","214635","2020-10-21","18:00:00",""
"1550934","17.8492","0.0009","10.6328","0.0006","43.5137","0.0019","90","","96.227","0.002","90","","8209.6","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cl2 Ir2 N4 O4 Si4 -","- C32 H48 Cl2 Ir2 N4 O4 Si4 -","- C256 H384 Cl16 Ir16 N32 O32 Si32 -","8","1","","Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J","Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02353K","","","0.71073","MoKα","","0.0574","0.0325","","","0.0676","0.0773","","","","","","0.898","","","","has coordinates","214748","2020-10-21","18:00:00",""
"1550935","11.4358","0.0006","13.0237","0.0007","17.6415","0.0009","90.226","0.001","106.899","0.001","101.886","0.001","2454.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H53 F6 Ir2 N4 O8.5 Si4 -","- C38 H53 F6 Ir2 N4 O8.5 Si4 -","- C76 H106 F12 Ir4 N8 O17 Si8 -","2","1","","Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J","Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02353K","","","0.71073","MoKα","","0.0365","0.0276","","","0.0583","0.0625","","","","","","1.036","","","","has coordinates,has disorder","214748","2020-10-21","18:00:00",""
"1550941","14.6208","0.0002","10.5924","0.0001","15.2131","0.0002","90","","108.231","0.002","90","","2237.78","0.05","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Mn2 N6 O8 -","- C18 H16 Mn2 N6 O8 -","- C72 H64 Mn8 N24 O32 -","4","0.5","","Pinto, Mara F.; Olivares, Marta; Vivancos, Angela; Guisado Barrios, Gregorio; Albrecht, Martin; Royo, Beatriz","(Di)Triazolylidene Manganese Complexes in Catalytic Oxidation of Alcohols to Ketones and Aldehydes","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00685K","","x-ray","0.71073","MoKα","","0.029","0.0249","","","0.0619","0.0648","","","","","","1.077","","","","has coordinates","214766","2020-10-21","18:00:00",""
"1551065","8.9968","0.0003","18.444","0.0008","9.3737","0.0004","90","","117.856","0.002","90","","1375.21","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl Fe N3 -","- C30 H34 Cl Fe N3 -","- C60 H68 Cl2 Fe2 N6 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.0823","0.0452","","","0.0805","0.091","","","","","","0.98","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551066","9.606","0.006","10.504","0.006","17.317","0.01","103.9","0.02","93.89","0.03","91.43","0.03","1690.7","1.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 Fe N2 -","- C39 H51 Fe N2 -","- C78 H102 Fe2 N4 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.1857","0.1314","","","0.3289","0.3628","","","","","","1.122","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551067","20.583","0.004","11.705","0.003","19.314","0.004","90","","116.648","0.006","90","","4158.9","1.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cl Fe N3 -","- C46 H42 Cl Fe N3 -","- C184 H168 Cl4 Fe4 N12 -","4","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.2834","0.09","","","0.1937","0.2617","","","","","","0.723","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551068","14.0411","0.0013","16.3354","0.0014","17.4433","0.0018","107.001","0.004","92.917","0.004","100.939","0.004","3732.4","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H93 Fe2 N5 -","- C69 H93 Fe2 N5 -","- C138 H186 Fe4 N10 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.0832","0.0562","","","0.153","0.1674","","","","","","1.015","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551866","16.471","0.003","13.801","0.003","18.659","0.004","90","","91.86","0.03","90","","4239.3","1.5","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H39 Cu3 N8 O16.5 -","- C40 H39 Cu3 N8 O16.5 -","- C160 H156 Cu12 N32 O66 -","4","1","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0649","0.0518","","","0.1653","0.1736","","","","","","1.066","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1551867","14.695","0.003","5.165","0.001","31.873","0.006","90","","94.29","0.03","90","","2412.4","0.8","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu2 N4 O11 -","- C24 H20 Cu2 N4 O11 -","- C96 H80 Cu8 N16 O44 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.63","synchrotron","","0.0387","0.0336","","","0.091","0.0932","","","","","","1.082","","","","has coordinates","216502","2020-10-21","18:00:00",""
"1551868","7.8977","0.0016","13.599","0.003","10.051","0.002","90","","91.65","0.03","90","","1079","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0299","0.0286","","","0.0804","0.0811","","","","","","1.076","","","","has coordinates","216502","2020-10-21","18:00:00",""
"1551869","12.072","0.002","10.473","0.002","7.6968","0.0015","90","","127.27","0.03","90","","774.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cu N O5 -","- C7 H5 Cu N O5 -","- C28 H20 Cu4 N4 O20 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0372","0.0357","","","0.0989","0.1004","","","","","","1.106","","","","has coordinates","216502","2020-10-21","18:00:00",""
"1551870","41.526","0.008","10.852","0.002","13.786","0.003","90","","95.84","0.03","90","","6180","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 Cu6 N12 O16 -","- C68 H44 Cu6 N12 O16 -","- C272 H176 Cu24 N48 O64 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.63","synchrotron","","0.0636","0.0448","","","0.1204","0.1289","","","","","","1.07","","","","has coordinates,has disorder","216502","2020-10-21","18:00:00",""
"1551871","6.421","0.0013","15.619","0.003","11.765","0.002","90","","98.52","0.03","90","","1166.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cu N2 O6 -","- C10 H13 Cu N2 O6 -","- C40 H52 Cu4 N8 O24 -","4","1","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0435","0.0324","","","0.079","0.0825","","","","","","1.013","","","","has coordinates,has disorder","216502","2020-10-21","18:00:00",""
"1552107","18.7682","0.0011","13.7292","0.0006","31.4518","0.0016","90","","106.951","0.006","90","","7752.2","0.7","291","","291","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45 H31 Cl N4 Zn -","- C45 H31 Cl N4 Zn -","- C360 H248 Cl8 N32 Zn8 -","8","1","","Ge, Yuansheng; Cheng, Guoe; Xu, Nanfeng; Wang, Weizhou; Ke, Hanzhong","Zinc 2-N-Methyl N-confused porphyrin: An Efficient Catalyst for the Conversion of CO2 into Cyclic Carbonates","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00739C","","x-ray","0.71073","MoKα","","0.1416","0.0811","","","0.1694","0.1958","","","","","","1.054","","","","has coordinates","217017","2020-10-21","18:00:00",""
"1552138","6.1964","0.0007","8.1764","0.0008","14.4347","0.0016","94.139","0.004","93.272","0.004","107.361","0.003","693.81","0.13","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0565","0.0485","","","0.1333","0.1412","","","","","","1.032","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552139","8.2186","0.0003","14.7157","0.0008","16.7006","0.0007","90","","93.695","0.003","90","","2015.61","0.16","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0604","0.0446","","","0.1049","0.1144","","","","","","1.024","","","","has coordinates,has disorder","217367","2020-10-21","18:00:00",""
"1552140","6.0929","0.0007","16.8891","0.0017","15.9338","0.0019","90","","91.658","0.005","90","","1639","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0579","0.045","","","0.1109","0.118","","","","","","1.041","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552141","6.9823","0.0008","10.9866","0.0013","11.6209","0.0015","110.95","0.004","97.555","0.004","105.365","0.005","777.03","0.17","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0504","0.041","","","0.1034","0.1104","","","","","","1.039","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552142","7.0659","0.0007","10.6181","0.001","11.7282","0.0013","111.09","0.003","100.172","0.004","102.895","0.004","767.69","0.14","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0492","0.0404","","","0.0996","0.1065","","","","","","0.939","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552351","35.8282","0.0017","18.7973","0.0008","17.4964","0.0007","90","","90","","90","","11783.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H70 B2 N6 Ni -","- C69 H70 B2 N6 Ni -","- C552 H560 B16 N48 Ni8 -","8","1","","Sethuraman, Muthuramalingam; Anandababu, Karunanithi; Velusamy, Marappan; Ramasamy, Mayilmurugan","One Step Phenol Synthesis from Benzene Catalysed by Nickel(II) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01471C","","","0.71073","MoKα","","0.133","0.0762","","","0.1496","0.1768","","","","","","1.055","","","","has coordinates","218878","2020-10-21","18:00:00",""
"1552352","7.831","0.002","7.931","0.002","11.079","0.003","97.173","0.015","95.533","0.015","96.097","0.015","674.6","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","Gold(III) diazonium salt","","- C7 H7 Au Cl4 N2 O3 -","- C7 H7 Au Cl4 N2 O3 -","- C14 H14 Au2 Cl8 N4 O6 -","2","1","","Ahmad, Ahmad A. L.; Panicker, Seema; Chehimi, Mohamed M.; Monge, Miguel; López-de-Luzuriaga, José M.; Mohamed, Ahmed A.; Bruce, Alice E.; Bruce, Mitchell R. M.","Synthesis of Water-Soluble Gold-Aryl Nanoparticles with Distinct Catalytic Performance in the Reduction of the Environmental Pollutant 4-Nitrophenol","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01402K","","x-ray","0.71073","MoKα","","0.077","0.0445","","","0.0838","0.0937","","","","","","1.012","","","","has coordinates","218879","2020-10-21","18:00:00",""
"1552752","10.6161","0.001","15.1085","0.0013","16.911","0.0014","90.103","0.003","94.853","0.002","105.573","0.002","2602.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 F18 N12 P3 Ru2 -","- C50 H39 F18 N12 P3 Ru2 -","- C100 H78 F36 N24 P6 Ru4 -","2","1","","Hennessey, Seán; Farras Costa, Pau; Benet-Buchholz, Jordi; Llobet, Antoni","A Bpp-based Dinuclear Ruthenium Photocatalyst for Visible Light-Driven Oxidation Reactions","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01796H","","","0.71073","MoKα","","0.0584","0.0392","","","0.0863","0.0953","","","","","","1.02","","","","has coordinates,has disorder","223381","2020-10-21","18:00:00",""
"1552753","12.918","0.0004","13.831","0.0004","17.552","0.0006","92.997","0.0019","100.953","0.002","105.668","0.0018","2946.61","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H42 Cl F12 N11 O P2 Ru2 -","- C51 H42 Cl F12 N11 O P2 Ru2 -","- C102 H84 Cl2 F24 N22 O2 P4 Ru4 -","2","1","","Hennessey, Seán; Farras Costa, Pau; Benet-Buchholz, Jordi; Llobet, Antoni","A Bpp-based Dinuclear Ruthenium Photocatalyst for Visible Light-Driven Oxidation Reactions","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01796H","","","0.71073","MoKα","","0.1404","0.0771","","","0.2103","0.2549","","","","","","1.064","","","","has coordinates,has disorder","223381","2020-10-21","18:00:00",""
"1552866","17.5516","0.0007","12.9246","0.0002","17.7238","0.0007","90","","93.431","0.004","90","","4013.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Au Cl N2 P3 -","- C46 H41 Au Cl N2 P3 -","- C184 H164 Au4 Cl4 N8 P12 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0347","0.0294","","","0.074","0.0784","","","","","","1.034","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552867","10.8276","0.0002","33.9018","0.0004","11.4594","0.0002","90","","113.03","0.002","90","","3871.21","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Au Cl N2 P3 -","- C44 H39 Au Cl N2 P3 -","- C176 H156 Au4 Cl4 N8 P12 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0299","0.0279","","","0.0619","0.0627","","","","","","1.119","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552868","10.3342","0.0002","22.3144","0.0011","17.0157","0.0003","90","","92.007","0.002","90","","3921.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H37 Cl2 N2 P3 -","- C47 H37 Cl2 N2 P3 -","- C188 H148 Cl8 N8 P12 -","4","2","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0325","0.0309","","","0.0796","0.0806","","","","","","1.024","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552869","12.5994","0.0008","13.2954","0.0008","13.5256","0.0008","70.09","0.005","84.549","0.005","78.391","0.005","2085.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 Au Cl3 N2 P3 -","- C47 H37 Au Cl3 N2 P3 -","- C94 H74 Au2 Cl6 N4 P6 -","2","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0255","0.0231","","","0.0585","0.0593","","","","","","1.11","","","","has coordinates,has disorder","227739","2020-10-21","18:00:00",""
"1552870","11.78322","0.00018","9.40736","0.00013","24.667","0.0004","90","","102.482","0.0016","90","","2669.68","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Au Cl N P2 -","- C28 H33 Au Cl N P2 -","- C112 H132 Au4 Cl4 N4 P8 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0234","0.0216","","","0.055","0.0563","","","","","","1.06","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552871","10.1896","0.0002","17.4204","0.0004","17.4304","0.0004","67.712","0.002","73.191","0.002","73.1212","0.0019","2682.92","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H72 N2 P4 -","- C62 H72 N2 P4 -","- C124 H144 N4 P8 -","2","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0411","0.0393","","","0.1022","0.1038","","","","","","1.049","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552872","35.1836","0.0007","35.1836","0.0007","9.7068","0.0002","90","","90","","120","","10406.1","0.4","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C60 H45 N3 P4 -","- C60 H45 N3 P4 -","- C480 H360 N24 P32 -","8","1.33333","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0501","0.0426","","","0.1076","0.1112","","","","","","1.02","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552873","11.00739","0.00005","22.02102","0.00012","24.05162","0.00013","90","","102.989","0.0005","90","","5680.79","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Cl9 N2 O3 P3 Rh -","- C55 H51 Cl9 N2 O3 P3 Rh -","- C220 H204 Cl36 N8 O12 P12 Rh4 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0305","0.0295","","","0.0766","0.0772","","","","","","1.042","","","","has coordinates,has disorder","227739","2020-10-21","18:00:00",""
"1552874","9.8538","0.0003","22.9455","0.0007","17.3019","0.0006","90","","93.031","0.003","90","","3906.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 Cl2 N2 P3 -","- C45 H41 Cl2 N2 P3 -","- C180 H164 Cl8 N8 P12 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0644","0.0434","","","0.1004","0.113","","","","","","1.014","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552875","10.2673","0.0011","12.11","0.002","19.82","0.002","103.947","0.012","99.881","0.009","100.687","0.011","2289","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H92 Cl10 N4 P6 -","- C97 H92 Cl10 N4 P6 -","- C97 H92 Cl10 N4 P6 -","1","0.5","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","x-ray","1.54184","CuKα","","0.0452","0.0366","","","0.0913","0.0966","","","","","","1.033","","","","has coordinates,has disorder","227739","2020-10-21","18:00:00",""
"1552963","7.8536","0.0003","8.5571","0.0003","29.1438","0.0009","90","","90.415","0.002","90","","1958.53","0.12","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br F5 N2 -","- C18 H22 Br F5 N2 -","- C72 H88 Br4 F20 N8 -","4","1","","Anthofer, Michael H.; Wilhelm, Michael E.; Cokoja, Mirza; Markovits, Iulius I. E.; Pöthig, Alexander; Mink, János; Herrmann, Wolfgang A.; Kühn, Fritz E.","Cycloaddition of CO2 and epoxides catalyzed by imidazolium bromides under mild conditions: influence of the cation on catalyst activity","Catalysis Science & Technology","2014","4","6","1749","","10.1039/c3cy01024d","","x-ray","0.71073","MoKα","","0.1433","0.0793","","","0.0824","0.0927","","","","","","1.112","","","","has coordinates","232617","2020-10-21","18:00:00",""
"1553092","10.9605","0.0007","15.9334","0.001","13.4384","0.0008","90","","112.447","0.002","90","","2169","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl Mo N2 O3 -","- C20 H29 Cl Mo N2 O3 -","- C80 H116 Cl4 Mo4 N8 O12 -","4","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0718","0.0464","","","0.1008","0.1116","","","","","","1.033","","","","has coordinates,has disorder","233426","2020-10-21","18:00:00",""
"1553093","58.3972","0.0004","58.3972","0.0004","58.3972","0.0004","90","","90","","90","","199148","2","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C41 H53 Cl17 Mo2 N4 O4 -","- C41 H53 Cl17 Mo2 N4 O4 -","- C3936 H5088 Cl1632 Mo192 N384 O384 -","96","0.5","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0843","0.0545","","","0.1472","0.1751","","","","","","1.082","","","","has coordinates","233426","2020-10-21","18:00:00",""
"1553094","12.2348","0.0008","14.0396","0.0009","14.2351","0.001","92.035","0.003","107.553","0.003","104.751","0.003","2237.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 Mo2 N4 O6 -","- C40 H60 Cl2 Mo2 N4 O6 -","- C80 H120 Cl4 Mo4 N8 O12 -","2","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0722","0.0447","","","0.0956","0.107","","","","","","1.019","","","","has coordinates","233426","2020-10-21","18:00:00",""
"1554189","10.0354","0.0005","12.4751","0.0012","22.059","0.0013","90","","93.55","0.004","90","","2756.3","0.3","","","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 O3 P Ru -","- C29 H31 Cl2 O3 P Ru -","- C116 H124 Cl8 O12 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","1.54178","CuKα","","0.028","0.0251","","","0.0624","0.0641","","","","","","1.0449","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554190","16.387","0.013","27.97","0.02","26.66","0.02","90","","101.396","0.015","90","","11979","16","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C123.3 Cl8 O8 P4 Ru4 Zn2 -","- C123.28 Cl8 O8 P4 Ru4 Zn2 -","- C493.12 Cl32 O32 P16 Ru16 Zn8 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.1649","0.0811","","","0.2023","0.2562","","","","","","1.008","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554191","10.595","0.002","12.873","0.003","18.387","0.004","90","","106.74","","90","","2401.5","0.9","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl2 O2 P Ru -","- C25 H29 Cl2 O2 P Ru -","- C100 H116 Cl8 O8 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.0874","0.042","","","0.0624","0.0714","","","","","","0.577","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554620","15.867","0.002","20.073","0.002","18.513","0.002","90","","90","","90","","5896.4","1.1","296","2","296","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H38 F6 Fe P Ru S3 -","- C24 H38 F6 Fe P Ru S3 -","- C192 H304 F48 Fe8 P8 Ru8 S24 -","8","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0788","0.0667","","","0.2143","0.2248","","","","","","1.069","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1554621","13.1028","0.0009","8.6112","0.0006","14.2219","0.001","90","","101.551","0.0013","90","","1572.17","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Co S3 -","- C14 H23 Co S3 -","- C56 H92 Co4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0366","0.0328","","","0.0884","0.0913","","","","","","1.062","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554622","14.3616","0.0006","13.9373","0.0006","16.9737","0.0007","90","","99.0564","0.001","90","","3355.1","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 F6 Fe P Ru S4 -","- C30 H43 F6 Fe P Ru S4 -","- C120 H172 F24 Fe4 P4 Ru4 S16 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0559","0.0509","","","0.1336","0.1377","","","","","","1.089","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554623","11.8","0.004","15.608","0.006","18.603","0.007","90","","90","","90","","3426","2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H41 F12 Fe N P2 Ru S3 -","- C26 H41 F12 Fe N P2 Ru S3 -","- C104 H164 F48 Fe4 N4 P8 Ru4 S12 -","4","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0784","0.0712","","","0.2214","0.231","","","","","","1.079","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1554624","20.2817","0.0011","17.2944","0.0009","12.4241","0.0007","90","","90","","90","","4357.9","0.4","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H58 B Co Fe S3 -","- C48 H58 B Co Fe S3 -","- C192 H232 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0419","0.0331","","","0.0817","0.0862","","","","","","1.015","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554625","20.576","0.002","16.9755","0.0019","12.0227","0.0014","90","","90","","90","","4199.4","0.8","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H56 B Co Fe S3 -","- C47 H56 B Co Fe S3 -","- C188 H224 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0589","0.0487","","","0.1108","0.1155","","","","","","1.099","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554626","15.5349","0.0004","15.8332","0.0005","18.3897","0.0005","90","","90.694","0.001","90","","4522.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 B Fe Ru S3 -","- C48 H59 B Fe Ru S3 -","- C192 H236 B4 Fe4 Ru4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0426","0.033","","","0.084","0.0879","","","","","","1.078","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1556266","10.42","0.0017","12.888","0.002","19.103","0.003","90","","90","","90","","2565.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Wang, Ming; Shi, Yu-Hua; Luo, Jun-Fei; Du, Wenting; Shi, Xiao-Xin; Fossey, John S.; Deng, Wei-Ping","Novel N,O-Cu(OAc)2 complex catalysed diastereo- and enantioselective 1,4-addition of glycine derivatives to alkylidene malonates","Catalysis Science & Technology","2011","1","1","100","","10.1039/c0cy00001a","","","0.71073","MoKα","","0.0463","0.035","","","0.0814","0.0852","","","","","","0.983","","","","has coordinates","244132","2020-10-21","18:00:00",""
"1556267","29.331","0.006","10.775","0.002","15.226","0.003","90","","105.3","0.03","90","","4641.5","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 N2 Ni -","- C24 H28 Br2 N2 Ni -","- C192 H224 Br16 N16 Ni8 -","8","1","","Song, Shengju; Xiao, Tianpengfei; Liang, Tongling; Wang, Fosong; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behaviour of 8-(1-aryliminoethylidene)quinaldinylnickel dihalides","Catalysis Science & Technology","2011","1","1","69","","10.1039/c0cy00002g","","","0.71073","MoKα","","0.0899","0.0755","","","0.1768","0.1857","","","","","","1.062","","","","has coordinates","244133","2020-10-21","18:00:00",""
"1556268","15.834","0.003","8.6441","0.0017","17.665","0.004","90","","114.28","0.03","90","","2204","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Br2 N2 Ni -","- C23 H26 Br2 N2 Ni -","- C92 H104 Br8 N8 Ni4 -","4","1","","Song, Shengju; Xiao, Tianpengfei; Liang, Tongling; Wang, Fosong; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behaviour of 8-(1-aryliminoethylidene)quinaldinylnickel dihalides","Catalysis Science & Technology","2011","1","1","69","","10.1039/c0cy00002g","","","0.71073","MoKα","","","0.0855","","","0.1501","0.1581","","","","","","1.368","","","","has coordinates","244133","2020-10-21","18:00:00",""
"1556269","17.0585","0.0015","17.1534","0.0016","19.5448","0.0017","90","","90.797","0.002","90","","5718.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H53 Cl4 O5 P5 Rh2 -","- C60 H53 Cl4 O5 P5 Rh2 -","- C240 H212 Cl16 O20 P20 Rh8 -","4","1","","Castro, Pascal M.; Gulyás, Henrik; Benet-Buchholz, Jordi; Bo, Carles; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPOs as new ligands in Rh(iii) catalyzed enantioselective transfer hydrogenation","Catalysis Science & Technology","2011","1","3","401","","10.1039/c0cy00022a","","","0.71073","MoKα","","0.0775","0.0379","","","0.0842","0.1049","","","","","","1.074","","","","has coordinates,has disorder","244134","2020-10-21","18:00:00",""
"1556270","12.5877","0.0004","12.5877","0.0004","29.1803","0.0011","90","","90","","120","","4004.2","0.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H48 F6 O12 S8 Zn -","- C44 H48 F6 O12 S8 Zn -","- C132 H144 F18 O36 S24 Zn3 -","3","0.166667","","Enthaler, Stephan","A straightforward zinc-catalysed reduction of sulfoxides to sulfides","Catalysis Science & Technology","2011","1","1","104","","10.1039/c0cy00039f","","","0.71073","MoKα","","0.0423","0.0301","","","0.0716","0.0746","","","","","","1.001","","","","has coordinates","244135","2020-10-21","18:00:00",""
"1556271","10.5817","0.0004","13.8939","0.0005","19.8576","0.0008","83.554","0.003","88.085","0.003","73.117","0.003","2775.99","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.33 H0 F4 O6.67 S4 Zn0.67 -","- C37.3333 H26.6667 F4 O6.66667 S4 Zn0.666667 -","- C112 H80 F12 O20 S12 Zn2 -","3","1.5","","Enthaler, Stephan","A straightforward zinc-catalysed reduction of sulfoxides to sulfides","Catalysis Science & Technology","2011","1","1","104","","10.1039/c0cy00039f","","","0.71073","MoKα","","0.1276","0.0561","","","0.101","0.1177","","","","","","0.821","","","","has coordinates","244135","2020-10-21","18:00:00",""
"1556272","22.1091","0.0011","10.4184","0.0003","18.2639","0.0008","90","","118.495","0.006","90","","3697.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N O5 P -","- C18 H22 N O5 P -","- C144 H176 N8 O40 P8 -","8","1","","Kidwai, Mazaahir; Bhardwaj, Saurav; Mishra, Neeraj Kumar; Jain, Arti; Kumar, Ajeet; Mozzumdar, Subho","Application of mobilized Cu-nanoparticles as heterogeneous catalyst for the synthesis of α-amino phosphonates via A2-P coupling","Catalysis Science & Technology","2011","1","3","426","","10.1039/c0cy00060d","","","0.71073","MoKα","","0.1878","0.1463","","","0.3717","0.4034","","","","","","1.428","","","","has coordinates","244136","2020-10-21","18:00:00",""
"1556279","11.337","0.002","15.712","0.003","11.611","0.002","90","","95.49","0.03","90","","2058.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 Co N2 -","- C22 H24 Cl2 Co N2 -","- C88 H96 Cl8 Co4 N8 -","4","1","","Xiao, Tianpengfei; Lai, Jingjuan; Zhang, Shu; Hao, Xiang; Sun, Wen-Hua","2-(1-Aryliminopropylidene)quinolylcobalt(ii) dichlorides: synthesis, characterization and catalytic behaviour towards ethylene","Catalysis Science & Technology","2011","1","3","462","","10.1039/c1cy00028d","","","0.71073","MoKα","","","0.0574","","","0.1313","0.1336","","","","","","1.2","","","","has coordinates,has disorder","244144","2020-10-21","18:00:00",""
"1556280","10.125","0.002","16.885","0.003","13.533","0.003","90","","90.01","0.03","90","","2313.6","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl2 Co N2 -","- C24 H28 Cl2 Co N2 -","- C96 H112 Cl8 Co4 N8 -","4","1","","Xiao, Tianpengfei; Lai, Jingjuan; Zhang, Shu; Hao, Xiang; Sun, Wen-Hua","2-(1-Aryliminopropylidene)quinolylcobalt(ii) dichlorides: synthesis, characterization and catalytic behaviour towards ethylene","Catalysis Science & Technology","2011","1","3","462","","10.1039/c1cy00028d","","","0.71073","MoKα","","","0.0537","","","0.1082","0.1117","","","","","","1.113","","","","has coordinates,has disorder","244144","2020-10-21","18:00:00",""
"1556281","8.4832","0.0012","11.5025","0.0016","24.14","0.003","90","","94.873","0.012","90","","2347","0.6","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N O4 V -","- C24 H34 N O4 V -","- C96 H136 N4 O16 V4 -","4","1","","Lorber, Christian; Despagnet-Ayoub, Emmanuelle; Vendier, Laure; Arbaoui, Abdessamad; Redshaw, Carl","Amine influence in vanadium-based ethylene polymerisation pro-catalysts bearing bis(phenolate) ligands with ‘pendant’ arms","Catalysis Science & Technology","2011","1","3","489","","10.1039/c1cy00089f","","","0.71073","MoKα","","0.1833","0.0681","","","0.1089","0.1377","","","","","","0.959","","","","has coordinates","244145","2020-10-21","18:00:00",""
"1556282","23.852","0.005","13.832","0.003","16.89","0.003","90","","118.68","0.03","90","","4889","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl2 N2 O Ti -","- C26 H26 Cl2 N2 O Ti -","- C208 H208 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides","Catalysis Science & Technology","2011","1","7","1208","","10.1039/c1cy00193k","","","0.71073","MoKα","","","0.0673","","","0.1805","0.1862","","","","","","1.191","","","","has coordinates","244146","2020-10-21","18:00:00",""
"1556283","17.098","0.003","8.1446","0.0016","17.624","0.004","90","","98.7","0.03","90","","2426","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 N2 O Ti -","- C27 H28 Cl2 N2 O Ti -","- C108 H112 Cl8 N8 O4 Ti4 -","4","1","","Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides","Catalysis Science & Technology","2011","1","7","1208","","10.1039/c1cy00193k","","","0.71073","MoKα","","0.0771","0.0712","","","0.172","0.1799","","","","","","1.247","","","","has coordinates,has disorder","244146","2020-10-21","18:00:00",""
"1556284","8.4783","0.0003","11.6061","0.0004","13.1535","0.0005","67.125","0.004","89.797","0.003","68.971","0.004","1099.1","0.09","293","2","293","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C16 H24 Cl2 N2 O4 Pd S2 -","- C16 H24 Cl2 N2 O4 Pd S2 -","- C32 H48 Cl4 N4 O8 Pd2 S4 -","2","1","","Tomás-Mendivil, Eder; Díez, Josefina; Cadierno, Victorio","Conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds in aqueous medium using Pd(ii) complexes with dihydroxy-2,2′-bipyridine ligands: homogeneous or heterogeneous nano-catalysis?","Catalysis Science & Technology","2011","1","9","1605","","10.1039/c1cy00214g","","","1.5418","CuKα","","0.0335","0.0313","","","0.0816","0.0839","","","","","","1.06","","","","has coordinates,has disorder","244147","2020-10-21","18:00:00",""
"1556285","7.6738","0.0003","10.4974","0.0004","12.5545","0.0004","112.689","0.003","90.017","0.003","108.646","0.003","875.2","0.06","293","2","293","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O5 Pd S -","- C14 H14 Cl2 N2 O5 Pd S -","- C28 H28 Cl4 N4 O10 Pd2 S2 -","2","1","","Tomás-Mendivil, Eder; Díez, Josefina; Cadierno, Victorio","Conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds in aqueous medium using Pd(ii) complexes with dihydroxy-2,2′-bipyridine ligands: homogeneous or heterogeneous nano-catalysis?","Catalysis Science & Technology","2011","1","9","1605","","10.1039/c1cy00214g","","","1.5418","CuKα","","0.0288","0.0251","","","0.064","0.0662","","","","","","1.039","","","","has coordinates,has disorder","244147","2020-10-21","18:00:00",""
"1556286","11.5434","0.0011","14.8956","0.0015","15.1659","0.0015","62.313","0.001","86.134","0.001","78.115","0.001","2258.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.2 H48.4 Cl0.4 N2 O P2 -","- C54.2 H48.4 Cl0.4 N2 O P2 -","- C108.4 H96.8 Cl0.8 N4 O2 P4 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.1432","0.0646","","","0.1472","0.1827","","","","","","1.11","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556287","18.0198","0.0009","14.0045","0.0007","16.7584","0.0009","90","","109.646","0.001","90","","3982.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N2 O P2 -","- C50 H40 N2 O P2 -","- C200 H160 N8 O4 P8 -","4","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0465","0.0394","","","0.1041","0.1079","","","","","","1.081","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556288","9.373","0.011","13.769","0.017","17.95","0.02","104.285","0.015","90.99","0.014","92.535","0.015","2242","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 N2 O P2 -","- C51 H39 N2 O P2 -","- C102 H78 N4 O2 P4 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.178","0.0794","","","0.1825","0.2141","","","","","","0.915","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556289","14.3702","0.0007","15.2542","0.0007","17.2588","0.0008","81.451","0.001","66.469","0.001","76.867","0.001","3370.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H77 B N2 O P2 Zn -","- C85 H77 B N2 O P2 Zn -","- C170 H154 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.037","0.0302","","","0.0785","0.0825","","","","","","1.016","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556290","9.9214","0.0008","17.1175","0.0013","18.4747","0.0014","86.754","0.001","78.725","0.001","80.859","0.001","3036.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.18 H63.47 B N2 O P2 Zn -","- C76.2 H63.48 B N2 O P2 Zn -","- C152.4 H126.96 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0878","0.0445","","","0.0849","0.0987","","","","","","1.012","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556291","9.9023","0.0005","16.867","0.0009","20.7112","0.0011","101.974","0.001","91.114","0.001","95.296","0.001","3366.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.65 H63.86 B N2 O P2 Zn -","- C80.65 H63.86 B N2 O P2 Zn -","- C161.3 H127.72 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0465","0.0387","","","0.1026","0.1073","","","","","","1.069","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556292","11.4655","0.0017","19.564","0.003","19.662","0.003","99.64","0.002","103.416","0.002","92.916","0.002","4210.9","1.1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn -","- C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn -","- C173.66 H121.32 B2 Cl3.32 F48 N4 O8 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.1704","0.0785","","","0.1742","0.2148","","","","","","1.02","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556293","18.781","0.0011","27.1179","0.0016","18.6506","0.0011","90","","116.785","0.001","90","","8479.6","0.9","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C90 H60 B Br0.38 F24 N2 O4 P2 Zn -","- C90 H60 B Br0.38 F24 N2 O4 P2 Zn -","- C360 H240 B4 Br1.52 F96 N8 O16 P8 Zn4 -","4","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0797","0.0613","","","0.1516","0.1617","","","","","","1.117","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556294","10.378","0.002","16.008","0.003","31.765","0.006","90","","95.61","0.03","90","","5251.9","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H50 Br2 N2 Ni -","- C57 H50 Br2 N2 Ni -","- C228 H200 Br8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.0886","0.0696","","","0.1778","0.1894","","","","","","1.175","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556295","15.352","0.003","22.551","0.005","15.38","0.003","90","","106.96","0.03","90","","5093","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Br2 N2 Ni -","- C56 H48 Br2 N2 Ni -","- C224 H192 Br8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.0937","0.0683","","","0.1528","0.1664","","","","","","1.105","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556296","15.33","0.003","22.285","0.005","14.954","0.003","90","","106.33","0.03","90","","4902.6","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N2 Ni O0 -","- C54 H44 Cl2 N2 Ni -","- C216 H176 Cl8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.1619","0.1173","","","0.278","0.3059","","","","","","1.155","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556297","15.492","0.008","17.191","0.01","25.784","0.01","90","","90","","90","","6867","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cl4 Co N3 O2 -","- C28 H33 Cl4 Co N3 O2 -","- C224 H264 Cl32 Co8 N24 O16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.3039","0.0972","","","0.201","0.2764","","","","","","0.85","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556298","23.2849","0.0008","16.2809","0.0004","17.6654","0.0005","90","","106.957","0.003","90","","6405.8","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 Cl4 Fe N3 S2 -","- C28 H33 Cl4 Fe N3 S2 -","- C224 H264 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.0892","0.0539","","0.1494","","0.1265","","","1.027","","","1.103","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556299","16.114","0.002","8.9394","0.0007","27.383","0.004","90","","99.828","0.014","90","","3886.6","0.8","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Cl2 Fe N3 O3 -","- C41 H43 Cl2 Fe N3 O3 -","- C164 H172 Cl8 Fe4 N12 O12 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.1164","0.0586","","0.1604","","0.1274","","","1.041","","","1.146","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556300","17.148","0.004","20.564","0.004","22.319","0.004","90","","90","","90","","7870","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Fe N3 S2 -","- C38 H37 Cl4 Fe N3 S2 -","- C304 H296 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1875","0.075","","","0.1522","0.1874","","","","","","0.926","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556301","12.3896","0.0016","19.617","0.002","16.797","0.002","90","","95.449","0.016","90","","4064","0.8","203","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H38 Cl6 N3 S2 V -","- C38.5 H38 Cl6 N3 S2 V -","- C154 H152 Cl24 N12 S8 V4 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0976","0.0545","","","0.1164","0.1297","","","","","","0.987","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556302","12.3561","0.0014","19.623","0.002","16.75","0.002","90","","95.756","0.015","90","","4040.8","0.8","203","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H38 Cl6 Cr N3 S2 -","- C38.5 H38 Cl6 Cr N3 S2 -","- C154 H152 Cl24 Cr4 N12 S8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0648","0.0416","","","0.0966","0.1051","","","","","","1.02","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556303","17.056","0.003","20.693","0.007","22.231","0.004","90","","90","","90","","7846","3","203","","203","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Mn N3 S2 -","- C38 H37 Cl4 Mn N3 S2 -","- C304 H296 Cl32 Mn8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1762","0.0746","","","0.1239","0.1495","","","","","","0.925","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556304","17.54","0.003","20.405","0.004","22.23","0.004","90","","90","","90","","7956","3","203","","203","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H43 Br2 N3 Ni O S2 -","- C41 H43 Br2 N3 Ni O S2 -","- C328 H344 Br16 N24 Ni8 O8 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1832","0.0786","","","0.1878","0.2168","","","","","","1.049","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556305","9.2178","0.0011","29.17","0.002","16.7749","0.0011","90","","92.674","0.007","90","","4505.6","0.7","183","","183","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H50 Cl5 Fe N3 O2 -","- C44.5 H50 Cl5 Fe N3 O2 -","- C178 H200 Cl20 Fe4 N12 O8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.0899","0.0562","","0.1567","0.1323","","","","1.029","","","1.085","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556306","12.8687","0.0006","19.6515","0.0016","18.0924","0.0009","90","","90.931","0.004","90","","4574.8","0.5","183","","183","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.25 H49.5 Cl4.5 Co N3 O2 -","- C44.25 H49.5 Cl4.5 Co N3 O2 -","- C177 H198 Cl18 Co4 N12 O8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.106","0.0615","","","0.1421","0.1587","","","","","","1.008","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556307","34.005","0.003","10.0092","0.0011","27.105","0.003","90","","94.482","0.007","90","","9197.3","1.7","183","","183","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H50 Cl5 Fe N3 S2 -","- C44.5 H50 Cl5 Fe N3 S2 -","- C356 H400 Cl40 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.1005","0.0594","","","0.1282","0.1417","","","","","","1.029","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556308","34.234","0.006","10.0665","0.001","27.315","0.004","90","","93.888","0.012","90","","9392","2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H50 Cl5 Co N3 S2 -","- C44.5 H50 Cl5 Co N3 S2 -","- C356 H400 Cl40 Co8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0878","0.0494","","","0.1171","0.1321","","","","","","1.005","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556309","7.8175","0.0016","16.296","0.003","16.654","0.003","100.4","0.03","100.58","0.03","102.97","0.03","1977.2","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Cl O3 P Pd -","- C19 H26 Cl O3 P Pd -","- C76 H104 Cl4 O12 P4 Pd4 -","4","2","","Fuentes, José A.; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Application of palladium (trioxo-adamantyl cage phosphine)chloride complexes as catalysts for the alkoxycarbonylation of styrene; Pd catalysed tert-butoxycarbonylation of styrene","Catalysis Science & Technology","2012","2","4","715","","10.1039/c2cy00521b","","","0.71073","MoKα","","0.0798","0.0594","","","0.1431","0.1561","","","","","","1.164","","","","has coordinates","244206","2020-10-21","18:00:00",""
"1556310","9.552","0.003","15.094","0.004","16.038","0.004","90","","100.126","0.007","90","","2276.3","1.1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl O4 P Pd -","- C22 H32 Cl O4 P Pd -","- C88 H128 Cl4 O16 P4 Pd4 -","4","1","","Fuentes, José A.; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Application of palladium (trioxo-adamantyl cage phosphine)chloride complexes as catalysts for the alkoxycarbonylation of styrene; Pd catalysed tert-butoxycarbonylation of styrene","Catalysis Science & Technology","2012","2","4","715","","10.1039/c2cy00521b","","","0.71073","MoKα","","0.0455","0.0411","","","0.0954","0.0981","","","","","","1.1","","","","has coordinates","244206","2020-10-21","18:00:00",""
"1556311","8.301","0.003","10.979","0.004","11.71","0.003","80.225","0.012","85.04","0.03","89.69","0.02","1047.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F12 N2 O2 -","- C18 H18 F12 N2 O2 -","- C36 H36 F24 N4 O4 -","2","1","","Legros, Julien; Bonnet-Delpon, Danièle; Crousse, Benoit; Slawin, Alexandra M. Z.","Self-assembly between 1,4-diazabicyclo[2.2.2]octane and bis(hexafluoroalcohols): solid/liquid phase switching for catalyst recycling","Catalysis Science & Technology","2012","2","5","934","","10.1039/c2cy00528j","","","1.54178","CuKα","","0.07","0.059","","","0.1634","0.177","","","","","","1.088","","","","has coordinates","244207","2020-10-21","18:00:00",""
"1556312","25.06","0.02","6.782","0.005","13.057","0.015","90","","110.81","0.03","90","","2074","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 F12 N2 O2 -","- C18 H18 F12 N2 O2 -","- C72 H72 F48 N8 O8 -","4","1","","Legros, Julien; Bonnet-Delpon, Danièle; Crousse, Benoit; Slawin, Alexandra M. Z.","Self-assembly between 1,4-diazabicyclo[2.2.2]octane and bis(hexafluoroalcohols): solid/liquid phase switching for catalyst recycling","Catalysis Science & Technology","2012","2","5","934","","10.1039/c2cy00528j","","","1.54178","CuKα","","0.1404","0.1324","","","0.3253","0.3567","","","","","","1.33","","","","has coordinates","244207","2020-10-21","18:00:00",""
"1556313","7.724","0.005","13.385","0.005","14","0.005","68.935","0.005","83.939","0.005","89.447","0.005","1342.5","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Br N3 O5 Pd S -","- C23 H20 Br N3 O3 Pd S -","- C46 H40 Br2 N6 O6 Pd2 S2 -","2","1","","Srinivas, Keesara; Srinivas, Pottabathula; Prathima, Parvathaneni Sai; Balaswamy, Kodicherla; Sridhar, Balsubramanian; Rao, Mandapati Mohan","Thiopseudourea ligated palladium complexes: synthesis, characterization and application as catalysts for Suzuki‒Miyaura, Sonogashira, Heck and Hiyama reactions","Catalysis Science & Technology","2012","2","6","1180","","10.1039/c2cy00542e","","x-ray","0.71073","MoKα","","0.0298","0.0278","","","0.0767","0.0784","","","","","","1.077","","","","has coordinates","244208","2020-10-21","18:00:00",""
"1556314","10.515","0.002","13.887","0.003","15.272","0.003","80.61","0.03","71.05","0.03","70.1","0.03","1979.8","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H84 Br0 N2 Ni O2 -","- C90 H84 N2 Ni O2 -","- C90 H84 N2 Ni O2 -","1","0.5","","Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene","Catalysis Science & Technology","2012","2","7","1340","","10.1039/c2cy20028g","","","0.71073","MoKα","","","0.0787","","","0.2086","0.2206","","","","","","1.144","","","","has coordinates","244209","2020-10-21","18:00:00",""
"1556315","47.225","0.009","16.333","0.003","17.278","0.004","90","","110.26","0.03","90","","12502","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H56 F4 N2 Ni O2 -","- C78 H56 F4 N2 Ni O2 -","- C624 H448 F32 N16 Ni8 O16 -","8","1","","Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene","Catalysis Science & Technology","2012","2","7","1340","","10.1039/c2cy20028g","","","0.71073","MoKα","","","0.0974","","","0.2313","0.2436","","","","","","1.175","","","","has coordinates","244209","2020-10-21","18:00:00",""
"1556316","8.8191","0.0006","17.5507","0.0011","20.7531","0.0013","90","","90","","90","","3212.2","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C136 H136 N8 O40 -","8","1","","Ananthakrishnan, Rajakumar; Gazi, Sarifuddin","[Ru(bpy)3]2+ aided photocatalytic synthesis of 2-arylpyridines via Hantzsch reaction under visible irradiation and oxygen atmosphere","Catalysis Science & Technology","2012","2","7","1463","","10.1039/c2cy20050c","","","0.71073","MoKα","","0.0788","0.052","","","0.1416","0.1682","","","","","","1.053","","","","has coordinates","244210","2020-10-21","18:00:00",""
"1556317","10.9698","0.0005","12.9718","0.0006","13.3427","0.0007","91.834","0.003","104.278","0.003","92.66","0.003","1836.16","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N2 O3 Zn -","- C40 H54 N2 O3 Zn -","- C80 H108 N4 O6 Zn2 -","2","1","","Taherimehr, Masoumeh; Decortes, Antonello; Al-Amsyar, Syed M.; Lueangchaichaweng, Warunee; Whiteoak, Christopher J.; Escudero-Adán, Eduardo C.; Kleij, Arjan W.; Pescarmona, Paolo P.","A highly active Zn(salphen) catalyst for production of organic carbonates in a green CO2 medium","Catalysis Science & Technology","2012","2","11","2231","","10.1039/c2cy20171b","","","0.71073","MoKα","","0.0597","0.0431","","","0.1182","0.1279","","","","","","1.043","","","","has coordinates,has disorder","244211","2020-10-21","18:00:00",""
"1556318","42.19","","9.719","","31.932","","90","","110.08","","90","","12297.6","","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68.5 H85 N4 O9 Zn2 -","- C68.5 H85 N4 O9 Zn2 -","- C548 H680 N32 O72 Zn16 -","8","1","","Taherimehr, Masoumeh; Decortes, Antonello; Al-Amsyar, Syed M.; Lueangchaichaweng, Warunee; Whiteoak, Christopher J.; Escudero-Adán, Eduardo C.; Kleij, Arjan W.; Pescarmona, Paolo P.","A highly active Zn(salphen) catalyst for production of organic carbonates in a green CO2 medium","Catalysis Science & Technology","2012","2","11","2231","","10.1039/c2cy20171b","","","0.71073","MoKα","","0.063","0.0393","","","0.0984","0.112","","","","","","1.024","","","","has coordinates,has disorder","244211","2020-10-21","18:00:00",""
"1556319","17.529","0.004","18.752","0.004","25.656","0.005","90","","90","","90","","8433","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H38 Cl2 N2 O Ti -","- C48 H38 Cl2 N2 O Ti -","- C384 H304 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","0.1428","0.1065","","","0.2577","0.2817","","","","","","1.153","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556320","53.675","0.011","10.021","0.002","24.886","0.005","90","","100.29","0.03","90","","13170","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 N2 O Ti -","- C37 H32 Cl2 N2 O Ti -","- C592 H512 Cl32 N32 O16 Ti16 -","16","2","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","","0.0932","","","0.2446","0.2632","","","","","","1.069","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556321","18.108","0.001","9.5124","0.0005","18.3546","0.0012","90","","113.59","0.008","90","","2897.4","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Au Cl3 N2 -","- C12 H12 Au Cl3 N2 -","- C96 H96 Au8 Cl24 N16 -","8","2","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)–oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.710747","Molybdenum","","0.0199","0.0175","","","0.0437","0.0447","","","","","","1.044","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556322","22.1175","0.001","14.791","0.0007","9.5257","0.0004","90","","99.676","0.002","90","","3071.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Au Cl4 N2 -","- C12 H13 Au Cl4 N2 -","- C96 H104 Au8 Cl32 N16 -","8","1","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)‒oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.71073","MoKα","","0.0356","0.0275","","","0.0615","0.0649","","","","","","1.016","","","","has coordinates","244213","2020-10-21","18:00:00",""
"1556323","7.6032","0.0006","9.2289","0.0008","9.96","0.0009","82.321","0.005","85.907","0.005","88.085","0.005","690.65","0.1","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Au Cl N2 O5 -","- C12 H12 Au Cl N2 O5 -","- C24 H24 Au2 Cl2 N4 O10 -","2","1","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)‒oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.71073","MoKα","","0.0821","0.0724","","","0.1982","0.2089","","","","","","1.063","","","","has coordinates","244213","2020-10-21","18:00:00",""
"1556324","20.5265","0.0009","13.4139","0.0009","29.7267","0.0015","90","","91.812","0.002","90","","8180.9","0.8","116","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl4 N2 O3 Ru -","- C40 H54 Cl4 N2 O3 Ru -","- C320 H432 Cl32 N16 O24 Ru8 -","8","2","","Leitgeb, Anita; Abbas, Mudassar; Fischer, Roland C.; Poater, Albert; Cavallo, Luigi; Slugovc, Christian","A latent ruthenium based olefin metathesis catalyst with a sterically demanding NHC ligand","Catalysis Science & Technology","2012","2","8","1640","","10.1039/c2cy20311a","","x-ray","0.71073","MoKα","","0.0468","0.0284","","","0.0608","0.0706","","","","","","1.029","","","","has coordinates","244214","2020-10-21","18:00:00",""
"1556325","8.1051","0.0008","11.1155","0.0009","22.6264","0.0006","77.784","0.005","89.987","0.004","71.894","0.003","1888.9","0.3","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H29 Cl2 N3 Pd -","- C15 H29 Cl2 N3 Pd -","- C60 H116 Cl8 N12 Pd4 -","4","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0182","0.0161","","","0.0393","0.0409","","","","","","1.085","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556326","8.1752","0.0008","15.2655","0.0006","15.457","0.001","94.321","0.007","90.451","0.005","93.185","0.004","1920.4","0.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C15 H28 Cl2 N2 Pd S -","- C15 H28 Cl2 N2 Pd S -","- C60 H112 Cl8 N8 Pd4 S4 -","4","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0272","0.0225","","","0.0548","0.0585","","","","","","1.057","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556327","8.1693","0.0008","9.1162","0.001","22.9935","0.0007","93.592","0.003","91.806","0.005","89.939","0.006","1708.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C30 H56 Cl2 N4 O2 Pd -","- C30 H56 Cl2 N4 O2 Pd -","- C60 H112 Cl4 N8 O4 Pd2 -","2","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","x-ray","0.71073","MoKα","","0.1022","0.0759","","","0.1632","0.182","","","","","","1.016","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556328","15.7877","0.001","21.0937","0.0013","8.109","0.0005","90","","102.061","0.003","90","","2640.9","0.3","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 Cl2 N3 Pd -","- C23 H45 Cl2 N3 Pd -","- C92 H180 Cl8 N12 Pd4 -","4","1","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0553","0.0311","","","0.0593","0.0682","","","","","","1.074","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556329","17.8598","0.0014","10.775","0.0008","31.054","0.002","90","","101.73","0.004","90","","5851.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C66 H64 Cl2 N4 O7.5 V2 -","- C66 H64 Cl2 N4 O7.5 V2 -","- C264 H256 Cl8 N16 O30 V8 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","MoKα","","0.1007","0.0653","","","0.1159","0.1271","","","","","","1.037","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556330","9.6297","0.0003","12.1792","0.0004","16.2276","0.0006","90","","100.851","0.004","90","","1869.18","0.11","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound L5","","","- C44 H56 N2 O2 -","- C44 H56 N2 O2 -","- C88 H112 N4 O4 -","2","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.1056","0.0498","","","0.0835","0.0958","","","","","","0.926","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1556331","15.4851","0.0003","12.3449","0.0002","33.0323","0.0006","90","","90","","90","","6314.5","0.2","140","1","140","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 5","","","- C60 H86 Cl4 N2 O6 V2 -","- C60 H86 Cl4 N2 O6 V2 -","- C240 H344 Cl16 N8 O24 V8 -","4","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.0867","0.0612","","","0.1045","0.1129","","","","","","1.199","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556332","11.0873","0.0005","17.9157","0.0008","20.6832","0.0014","90","","90","","90","","4108.4","0.4","100","","100","","","","","","","","","6","P 21 n b","P -2bc 2a","33","Compound 13","","","- C42 H52 Cl2 N4 O3 V -","- C42 H52 Cl2 N4 O3 V -","- C168 H208 Cl8 N16 O12 V4 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71075","MoKα","","0.0776","0.0505","","","0.0899","0.0978","","","","","","1.043","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1556333","14.483","0.002","14.483","0.002","58.042","0.012","90","","90","","90","","12175","3","200","2","200","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H84 B Cl2 F4 P6 Rh3 -","- C54 H84 B Cl2 F4 P6 Rh3 -","- C432 H672 B8 Cl16 F32 P48 Rh24 -","8","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0326","0.0251","","","0.0423","0.0432","","","","","","0.876","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556334","13.136","0.003","13.405","0.003","14.779","0.003","85.58","0.03","68.44","0.03","68.06","0.03","2239.6","1.1","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0611","0.053","","","0.1311","0.1332","","","","","","1.017","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556335","14.1975","0.0005","16.3823","0.0004","20.5561","0.0005","90","","90","","90","","4781.1","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 Cl2 P4 Rh2 -","- C44 H72 Cl2 P4 Rh2 -","- C176 H288 Cl8 P16 Rh8 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0213","0.0184","","","0.0377","0.0381","","","","","","0.908","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556336","16.493","0.003","23.276","0.005","16.775","0.003","90","","118.1","0.03","90","","5681","2","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C270 H200 Cl12 F6 O6 P12 Rh6 S2 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.1018","0.0424","","","0.0617","0.0745","","","","","","0.554","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556337","16.431","0.003","20.348","0.004","21.116","0.004","90","","90","","90","","7060","2","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C216 H336 B4 Br3.2 Cl4.8 F16 P24 Rh12 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0321","0.0229","","","0.042","0.043","","","","","","0.769","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556338","11.2912","0.0006","16.6047","0.0006","11.4464","0.0005","90","","105.766","0.004","90","","2065.32","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H56 Br2 P4 Rh2 -","- C36 H56 Br2 P4 Rh2 -","- C72 H112 Br4 P8 Rh4 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0204","0.0198","","","0.0498","0.05","","","","","","1.04","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556339","12.416","0.003","12.444","0.003","18.186","0.004","95.81","0.03","94.37","0.03","111.98","0.03","2572.3","1.2","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H86 B F4 O2 P6 Rh3 -","- C36 H84 B F4 O2 P6 Rh3 -","- C72 H168 B2 F8 O4 P12 Rh6 -","2","2","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0324","0.0256","","","0.0513","0.052","","","","","","0.971","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556340","9.6676","0.0019","12.005","0.002","12.658","0.003","109.83","0.03","94.19","0.03","90.56","0.03","1377.3","0.6","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0274","0.0236","","","0.0486","0.049","","","","","","0.991","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556341","29.0844","0.001","15.042","0.0005","16.3344","0.0006","90","","108.315","0.002","90","","6784.1","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H30 Cl2 F6 N6 O3 P2 Ru -","- C30.5 H30 Cl2 F6 N6 O3 P2 Ru -","- C244 H240 Cl16 F48 N48 O24 P16 Ru8 -","8","1","","Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.","Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts","Catal. Sci. Technol.","2013","3","3","706","","10.1039/C2CY20616A","","","0.71073","MoKα","","0.0471","0.0349","","","0.0798","0.0858","","","","","","1.026","","","","has coordinates,has disorder","244218","2020-10-21","18:00:00",""
"1556342","10.9643","0.0007","11.9921","0.0008","15.491","0.0015","110.491","0.005","99.026","0.004","107.666","0.003","1737.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru -","- C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru -","- C61 H61 Cl4 F12 N12 O6.5 P4 Ru2 -","2","1","","Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.","Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts","Catal. Sci. Technol.","2013","3","3","706","","10.1039/C2CY20616A","","","0.71073","MoKα","","0.0622","0.0502","","","0.1284","0.1367","","","","","","1.028","","","","has coordinates,has disorder","244218","2020-10-21","18:00:00",""
"1556343","13.6143","0.0003","13.6143","0.0003","38.6616","0.0008","90","","90","","90","","7165.9","0.3","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C80 H102 Al Cl N4 O6 S2 -","- C80 H102 Al Cl N4 O6 S2 -","- C320 H408 Al4 Cl4 N16 O24 S8 -","4","0.5","","Ternel, Jérémy; Roussel, Pascal; Agbossou-Niedercorn, Francine; Gauvin, Régis M.","Dismantling the salen framework: design of new asymmetric silylcyanation catalysts","Catal. Sci. Technol.","2013","3","3","580","","10.1039/C2CY20818K","","","0.71073","MoKα","","0.1165","0.0828","","0.172","0.0849","0.0751","","","","","","1.0916","","","","has coordinates","244219","2020-10-21","18:00:00",""
"1556371","7.129","0.003","11.454","0.005","19.387","0.009","90","","90","","90","","1583.1","1.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N4 O3 -","- C17 H15 Cl N4 O3 -","- C68 H60 Cl4 N16 O12 -","4","1","","Siddiqui, Zeba N.; Khan, Tabassum","P2O5/SiO2 as an efficient heterogeneous catalyst for the synthesis of heterocyclic alkene derivatives under thermal solvent-free conditions","Catalysis Science & Technology","2013","3","8","2032","","10.1039/c3cy00095h","","","0.71073","MoKα","","0.1887","0.1524","","","0.3606","0.3845","","","","","","1.184","","","","has coordinates","244406","2020-10-21","18:00:00",""
"1556372","10.53","0.003","10.579","0.003","10.773","0.004","109.248","0.002","93.156","0.002","106.287","0.002","1073","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(μ-2-methylbenzoato)bis[(2-methylbenzoic acid)copper(II)]","","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","1","0.5","","Sunil, Abraham C.; Langner, Ernst H. G.; Marais, Charlene; Bezuidenhoudt, Barend C. B.","Thermo-analytical determination of intermediates in the copper catalysed rearrangement of o-toluic acid to meta-cresol","Catalysis Science & Technology","2013","3","9","2227","","10.1039/c3cy00119a","","","0.71069","MoKα","","","0.0258","","","","0.0653","","","","","","1.048","","","","has coordinates","244407","2020-10-21","18:00:00",""
"1556373","14.2034","0.0007","11.5066","0.0007","14.6836","0.0011","90","","90","","90","","2399.8","0.3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H24 Br2 Cl2 N4 Ni -","- C19 H24 Br2 Cl2 N4 Ni -","- C76 H96 Br8 Cl8 N16 Ni4 -","4","0.5","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.0473","0.0445","","","0.1204","0.1225","","","","","","1.06","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556374","9.2765","0.0005","10.7428","0.0005","12.1287","0.0006","110.976","0.003","96.346","0.003","113.712","0.003","986.47","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl2 N4 Ni -","- C18 H22 Cl2 N4 Ni -","- C36 H44 Cl4 N8 Ni2 -","2","1","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.0398","0.0329","","","0.0893","0.0928","","","","","","1.047","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556375","9.3446","0.0018","14.994","0.003","15.681","0.003","75.599","0.01","78.411","0.01","81.522","0.011","2073.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Br2 N4 Ni -","- C18 H22 Br2 N4 Ni -","- C72 H88 Br8 N16 Ni4 -","4","2","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.1531","0.0554","","","0.1175","0.1563","","","","","","0.913","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556376","9.6013","0.0019","16.927","0.003","24.799","0.005","90","","100.77","0.03","90","","3959.4","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Br2 Cl N2 Ni -","- C45 H41 Br2 Cl N2 Ni -","- C180 H164 Br8 Cl4 N8 Ni4 -","4","1","","Jia, Dedong; Zhang, Wenjuan; Liu, Weiliang; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Unsymmetrical α-diiminonickel bromide complexes: synthesis, characterization and their catalytic behavior toward ethylene","Catalysis Science & Technology","2013","3","10","2737","","10.1039/c3cy00422h","","","0.71073","MoKα","","","0.0668","","","0.1943","0.2163","","","","","","1.079","","","","has coordinates","244409","2020-10-21","18:00:00",""
"1556377","9.922","0.002","16.84","0.003","24.975","0.005","90","","98.41","0.03","90","","4128.1","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 Br2 Cl N2 Ni -","- C47 H44 Br2 Cl N2 Ni -","- C188 H176 Br8 Cl4 N8 Ni4 -","4","1","","Jia, Dedong; Zhang, Wenjuan; Liu, Weiliang; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Unsymmetrical α-diiminonickel bromide complexes: synthesis, characterization and their catalytic behavior toward ethylene","Catalysis Science & Technology","2013","3","10","2737","","10.1039/c3cy00422h","","","0.71073","MoKα","","","0.0979","","","0.2363","0.2722","","","","","","1.193","","","","has coordinates","244409","2020-10-21","18:00:00",""
"1556378","9.6343","0.0006","9.6463","0.0007","14.2834","0.0008","76.36","0.006","88.829","0.005","63.062","0.007","1144.29","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H35 N3 Zn -","- C25 H35 N3 Zn -","- C50 H70 N6 Zn2 -","2","1","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.7107","MoKα","","0.0291","0.0267","","","0.0642","0.0658","","","","","","1.007","","","","has coordinates","244410","2020-10-21","18:00:00",""
"1556379","12.765","0.006","16.025","0.014","13.594","0.01","90","","98.6","0.06","90","","2750","3","99.97","0.15","99.97","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N3 O Zn -","- C31 H39 N3 O Zn -","- C124 H156 N12 O4 Zn4 -","4","1","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.7107","MoKα","","0.0544","0.0393","","","0.0875","0.1001","","","","","","1.028","","","","has coordinates","244410","2020-10-21","18:00:00",""
"1556380","10.889","0.0005","14.2911","0.0007","20.7227","0.0009","92.804","0.004","92.129","0.004","92.212","0.004","3216.1","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H47 N3 O Zn -","- C35 H47 N3 O Zn -","- C140 H188 N12 O4 Zn4 -","4","2","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.71073","MoKα","","0.115","0.0655","","","0.0986","0.111","","","","","","1.11","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556381","3.8864","0.0005","7.7824","0.0009","7.5103","0.0009","90","","98.573","0.002","90","","224.61","0.05","200","2","200","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","1","0.25","","de Almeida, M. Peixoto; Martins, L. M. D. R. S.; Carabineiro, S. A. C.; Lauterbach, T.; Rominger, F.; Hashmi, A. S. K.; Pombeiro, A. J. L.; Figueiredo, J. L.","Homogeneous and heterogenised new gold C-scorpionate complexes as catalysts for cyclohexane oxidation","Catalysis Science & Technology","2013","3","11","3056","","10.1039/c3cy00552f","","","0.71073","MoKα","","0.013","0.013","","","0.0317","0.0317","","","","","","1.187","","","","has coordinates,has disorder","244411","2020-10-21","18:00:00",""
"1556382","5.8113","0.0002","23.7797","0.0008","9.2207","0.0003","90","","95.959","0.002","90","","1267.33","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Ray, Suman; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","Porous silica nanoparticles with mesoscopic void spaces for the domino intermolecular aerobic oxidative synthesis of novel β,β′-diketoenamines","Catalysis Science & Technology","2013","3","5","1267","","10.1039/c3cy20642d","","","0.71073","MoKα","","0.0509","0.0425","","","0.1251","0.1396","","","","","","0.646","","","","has coordinates","244412","2020-10-21","18:00:00",""
"1556383","20.8644","0.0004","20.8644","0.0004","52.9489","0.0013","90","","90","","120","","19961.8","0.7","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C99 H102 N9 O6 P Zn3 -","- C99 H102 N9 O6 P Zn3 -","- C792 H816 N72 O48 P8 Zn24 -","8","0.666667","","Jacobs, Ivo; van Duin, Adri C. T.; Kleij, Arjan W.; Kuil, Mark; Tooke, Duncan M.; Spek, Anthony L.; Reek, Joost N. H.","Conformational studies of ligand-template assemblies and the consequences for encapsulation of rhodium complexes and hydroformylation catalysis","Catalysis Science & Technology","2013","3","8","1955","","10.1039/c3cy20665c","","","0.71073","MoKα","","0.0746","0.0538","","","0.1105","0.1185","","","","","","1.179","","","","has coordinates","244413","2020-10-21","18:00:00",""
"1556384","12.2117","0.0003","20.6062","0.0004","23.4209","0.0005","90","","90.957","0.002","90","","5892.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.63 H25.25 Cl3.25 Fe N6 O8 -","- C25.625 H25.25 Cl3.25 Fe N6 O8 -","- C205 H202 Cl26 Fe8 N48 O64 -","8","2","","Wong, Emma; Jeck, Jonathan; Grau, Michaela; White, Andrew J. P.; Britovsek, George J. P.","A strong-field pentadentate ligand in iron-based alkane oxidation catalysis and implications for iron(iv) oxo intermediates","Catalysis Science & Technology","2013","3","4","1116","","10.1039/c3cy20823k","","","0.71073","MoKα","","0.1246","0.0863","","","0.2159","0.2354","","","","","","1.037","","","","has coordinates,has disorder","244414","2020-10-21","18:00:00",""
"1556385","12.4043","0.0008","38.877","0.002","12.3737","0.001","90","","117.208","0.008","90","","5306.9","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 Cl4 Fe2 N11 O18 -","- C48 H45 Cl4 Fe2 N11 O18 -","- C192 H180 Cl16 Fe8 N44 O72 -","4","1","","Wong, Emma; Jeck, Jonathan; Grau, Michaela; White, Andrew J. P.; Britovsek, George J. P.","A strong-field pentadentate ligand in iron-based alkane oxidation catalysis and implications for iron(iv) oxo intermediates","Catalysis Science & Technology","2013","3","4","1116","","10.1039/c3cy20823k","","","0.71073","MoKα","","0.1683","0.0795","","","0.1365","0.1703","","","","","","0.979","","","","has coordinates,has disorder","244414","2020-10-21","18:00:00",""
"1556599","13.2313","0.0009","30.795","0.002","18.556","0.0012","90","","94.183","0.002","90","","7540.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C350 H328 Ag8 Fe4 O30 P16 -","4","2","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0392","0.0316","","","0.0638","0.0672","","","","","","1.089","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556600","24.582","0.003","20.281","0.002","40.461","0.005","90","","90","","90","","20172","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C980 H868 Cu16 Fe8 O56 P48 -","8","1","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0809","0.053","","","0.1197","0.1398","","","","","","1.063","","","","has coordinates,has disorder","257224","2020-10-21","18:00:00",""
"1556927","14.7908","0.0009","7.8079","0.0003","27.592","0.001","90","","99.197","0.003","90","","3145.5","0.3","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 I2 N3 Pd -","- C9 H19 I2 N3 Pd -","- C72 H152 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0756","0.0668","","","0.1728","0.1816","","","","","","0.972","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556928","17.5721","0.0007","12.5994","0.0008","8.4655","0.0004","90","","99.55","0.003","90","","1848.27","0.16","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 I2 N3 Pd -","- C13 H21 I2 N3 Pd -","- C52 H84 I8 N12 Pd4 -","4","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0762","0.0626","","","0.1764","0.1857","","","","","","0.945","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556929","21.6545","0.0007","8.657","0.0002","20.1671","0.0008","90","","95.408","0.003","90","","3763.8","0.2","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 I2 N3 Pd -","- C15 H17 I2 N3 Pd -","- C120 H136 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","0.71073","MoKα","","0.0813","0.044","","","0.1011","0.1489","","","","","","1.01","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556930","9.5333","0.0007","10.964","0.0008","11.3716","0.0007","62.48","0.005","79.571","0.005","67.896","0.005","976.59","0.13","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I2 N3 Pd -","- C16 H19 I2 N3 Pd -","- C32 H38 I4 N6 Pd2 -","2","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0843","0.0642","","","0.1824","0.2174","","","","","","1.047","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1557055","27.001","0.0012","6.0841","0.0003","25.1455","0.0011","90","","108.298","0.002","90","","3922","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 B Cl2 O2 -","- C20 H21 B Cl2 O2 -","- C160 H168 B8 Cl16 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0628","0.042","","","0.1146","0.1241","","","","","","1.034","","","","has coordinates","265223","2021-05-14","14:10:01",""
"1557056","35.07","0.003","6.2286","0.0007","20.596","0.002","90","","119.212","0.005","90","","3926.8","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0989","0.0489","","","0.0999","0.1109","","","","","","1.012","","","","has coordinates","265223","2021-05-14","14:10:12",""
"1557057","25.447","0.003","6.3811","0.0008","24.281","0.003","90","","90","","90","","3942.7","0.8","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","2","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0574","0.045","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","265223","2021-05-14","14:10:14",""
"1557058","13.824","0.003","13.824","0.003","40.089","0.008","90","","90","","120","","6635","2","100","2","100","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C219 H342 B6 Cl6 F24 N24 P24 Rh6 -","6","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.71073","MoKα","","0.0709","0.0567","","","0.14","0.1458","","","","","","1.156","","","","has coordinates,has disorder","257223","2020-10-21","18:00:00",""
"1557059","9.7105","0.0003","14.3281","0.0004","11.2851","0.0003","90","","96.031","0.003","90","","1561.44","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C54 H84 B2 Cl4 F8 N4 P4 Rh2 -","2","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.7107","MoKα","","0.0533","0.0514","","","0.1669","0.1682","","","","","","1.443","","","","has coordinates","257223","2020-10-21","18:00:00",""
"1557155","26.5998","0.0004","13.18144","0.00015","32.7719","0.0004","90","","104.629","0.0014","90","","11118.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H154 Cl N9 O9 Ti2 -","- C112 H148 Cl N7 O9 Ti2 -","- C448 H592 Cl4 N28 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0836","0.0646","","","0.1595","0.1677","","","","","","1.087","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557156","11.0509","0.0002","9.6943","0.00018","14.8668","0.0003","90","","108.131","0.002","90","","1513.61","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O2 Ti -","- C30 H44 Cl2 O2 Ti -","- C60 H88 Cl4 O4 Ti2 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0297","0.0293","","","0.0762","0.0765","","","","","","1.067","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557157","17.651","0.0002","18.2749","0.0002","19.8507","0.0002","67.4531","0.0011","68.6833","0.0011","73.3966","0.0012","5428.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","1","0.5","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71075","MoKα","","0.0809","0.0744","","","0.2242","0.2307","","","","","","1.036","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557158","17.4371","0.0007","17.7765","0.0004","21.1345","0.0004","100.63","0.002","93.526","0.003","104.426","0.003","6195.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C250 H345 Cl2 N17 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1417","0.0986","","","0.2587","0.2928","","","","","","1.022","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557159","12.5697","0.0002","18.1183","0.0004","27.5282","0.0003","104.559","0.0015","98.781","0.0013","102.093","0.0018","5792.04","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H164 Cl2 N6 O8 Ti2 -","- C115 H152 Cl2 N3.5 O8 Ti2 -","- C230 H304 Cl4 N7 O16 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1083","0.0925","","","0.2464","0.2596","","","","","","1.072","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557160","13.9465","0.0002","17.4744","0.0003","23.5392","0.0002","85.6028","0.0011","74.2347","0.0012","74.5316","0.0014","5320.83","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H140 Cl N7 O9 Ti2 -","- C102.6 H131.9 Cl N4.3 O9 Ti2 -","- C205.2 H263.8 Cl2 N8.6 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0967","0.0936","","","0.2616","0.2645","","","","","","1.093","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557161","16.3253","0.0004","17.3213","0.0003","23.5069","0.0003","102.481","0.002","91.495","0.002","101.593","0.002","6340.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.71 H174.42 Cl N2.85 O11.43 Ti2 -","- C130.704 H173.556 Cl N2.8521 O11.432 Ti2 -","- C261.408 H347.113 Cl2 N5.7042 O22.864 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.1361","0.0718","","","0.1777","0.2075","","","","","","1.021","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557162","26.6007","0.0004","13.18235","0.00014","32.7812","0.0005","90","","104.622","0.0017","90","","11122.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C452 H598 Cl4 N30 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0944","0.0754","","","0.1944","0.2043","","","","","","1.114","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557163","12.14575","0.00013","18.0271","0.0002","21.0909","0.0002","95.2564","0.0009","105.355","0.0009","90.2869","0.0009","4432.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Cl N2 O4 Ti -","- C49 H61 Cl N2 O4 Ti -","- C196 H244 Cl4 N8 O16 Ti4 -","4","2","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0408","0.0386","","","0.1092","0.1107","","","","","","1.068","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557164","43.9803","0.0004","12.41683","0.00017","19.4608","0.0002","90","","94.9954","0.001","90","","10587.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cl2 N2 O4 Ti -","- C54 H72 Cl2 N2 O4 Ti -","- C432 H576 Cl16 N16 O32 Ti8 -","8","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0454","0.0413","","","0.1156","0.1182","","","","","","1.069","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557173","17.31801","0.00012","12.99024","0.0001","19.71788","0.00016","90","","94.4442","0.0007","90","","4422.5","0.06","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54.28 H49.13 Ir O0.28 P3 -","- C54.283 H49.132 Ir O0.283 P3 -","- C217.132 H196.528 Ir4 O1.132 P12 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0237","0.0199","","","0.0458","0.048","","","","","","1.047","","","","has coordinates","254859","2020-10-21","18:00:00",""
"1557174","12.9317","0.0002","16.6","0.0003","25.5365","0.0004","90","","90.2757","0.0013","90","","5481.76","0.16","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H68 Cl2 Ir2 N4 O S2 -","- C57 H68 Cl2 Ir2 N4 O S2 -","- C228 H272 Cl8 Ir8 N16 O4 S8 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0357","0.0299","","","0.0678","0.0712","","","","","","1.036","","","","has coordinates,has disorder","254859","2020-10-21","18:00:00",""
"1557528","13.126","0.004","25.198","0.007","30.034","0.008","113.698","0.004","101.194","0.004","90.634","0.004","8879","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H72 Cd Mo12 N6 O68 P8 Zn2 -","- C39 H54 Cd Mo12 N6 O62 P8 Zn2 -","- C156 H216 Cd4 Mo48 N24 O248 P32 Zn8 -","4","2","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0798","0.0601","","","0.1644","0.1838","","","","","","1.044","","","","has coordinates","257209","2020-10-21","18:00:00",""
"1557529","21.0842","0.0006","18.3743","0.0005","21.9022","0.0006","90","","100.716","0.003","90","","8337.1","0.4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C104 H96 Cd4.8 Co3.2 Mo48 N16 Na16 O276 P32 -","4","0.5","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0494","0.0429","","","0.1165","0.1205","","","","","","1.039","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557530","15.882","0.0018","21.676","0.002","25.338","0.003","90","","94.559","0.002","90","","8695.2","1.6","296","2","296","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C65 H116 Al2 Cd2 Mo24 N10 O137 P16 -","- C65 H86 Al2 Cd2 Mo24 N10 O137 P16 -","- C130 H172 Al4 Cd4 Mo48 N20 O274 P32 -","2","1","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0374","0.0334","","","0.0883","0.0925","","","","","","1.057","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557594","9.5079","0.0007","32.3832","0.0014","13.8528","0.0012","90","","110.045","0.01","90","","4006.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Co N4 O4 -","- C16 H22 Cl2 Co N4 O4 -","- C128 H176 Cl16 Co8 N32 O32 -","8","2","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.062","0.05","","","0.1143","0.1215","","","","","","1.073","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557595","12.2832","0.0008","7.3066","0.0005","22.5865","0.0014","90","","95.779","0.006","90","","2016.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 Co N4 O4 -","- C17 H22 Cl2 Co N4 O4 -","- C68 H88 Cl8 Co4 N16 O16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0621","0.0475","","","0.1157","0.1244","","","","","","1.049","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557596","9.8205","0.0009","14.0434","0.0011","26.706","0.002","90","","90","","90","","3683.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 B Cl Co N4 -","- C41 B Cl Co N4 -","- C164 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0925","0.0828","","","0.2308","0.2458","","","","","","1.111","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557597","16.0327","0.0009","10.7162","0.0006","22.6792","0.0012","90","","107.025","0.006","90","","3725.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 B Cl Co N4 -","- C43 H46 B Cl Co N4 -","- C172 H184 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0736","0.0453","","","0.0962","0.1096","","","","","","1.01","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557658","13.612","0.003","13.537","0.002","14.409","0.003","90","","109.931","0.006","90","","2496.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl10 Fe4 N6 O9 -","- C36 H46 Cl10 Fe4 N6 O9 -","- C72 H92 Cl20 Fe8 N12 O18 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0979","0.0867","","","0.2206","0.2273","","","","","","1.116","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557659","11.8719","0.0006","16.9617","0.0008","9.4064","0.0005","90","","102.136","0.002","90","","1851.81","0.16","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl4 Fe2 N6 O10 -","- C32 H40 Cl4 Fe2 N6 O10 -","- C64 H80 Cl8 Fe4 N12 O20 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0639","0.0487","","","0.11","0.1185","","","","","","1.04","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557722","9.437","0.0002","10.4908","0.0003","18.5143","0.0004","96.9776","0.0019","99.2858","0.0019","104.161","0.002","1728.97","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O6 P2 -","- C36 H46 N4 O6 P2 -","- C72 H92 N8 O12 P4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","0.71073","MoKα","","0.0439","0.0387","","","0.0937","0.0974","","","","","","1.018","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557723","8.1545","0.0003","11.7917","0.0005","16.3115","0.0004","107.981","0.003","96.136","0.003","103.72","0.003","1421.47","0.1","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Br2 Co N4 O7 S2 -","- C27 H30 Br2 Co N4 O7 S2 -","- C54 H60 Br4 Co2 N8 O14 S4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0499","0.0412","","","0.1032","0.1077","","","","","","1.03","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557724","8.0833","0.0001","11.8214","0.0001","13.6272","0.0001","90","","95.751","0.001","90","","1295.61","0.02","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 Co N4 O4 -","- C26 H28 Br2 Co N4 O4 -","- C52 H56 Br4 Co2 N8 O8 -","2","0.5","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0928","0.0942","","","","","","1.081","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557862","18.8949","0.0006","10.1078","0.0004","23.9918","0.0007","90","","90","","90","","4582.1","0.3","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H35 Al N6 -","- C20 H35 Al N6 -","- C160 H280 Al8 N48 -","8","2","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.0751","0.0463","","","0.0949","0.1064","","","","","","1.003","","","","has coordinates","257207","2020-10-21","18:00:00",""
"1557863","18.637","0.003","9.384","0.0019","26.354","0.004","90","","125.325","0.0012","90","","3760.4","1.1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H44 Al2 N6 -","- C33.5 H44 Al2 N6 -","- C134 H176 Al8 N24 -","4","1","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.2079","0.0827","","","0.2149","0.2845","","","","","","0.983","","","","has coordinates,has disorder","257207","2020-10-21","18:00:00",""
"1557983","8.5663","0.0003","11.0966","0.0004","24.1272","0.0009","90","","98.595","0.001","90","","2267.7","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br Ir N3 O -","- C23 H33 Br Ir N3 O -","- C92 H132 Br4 Ir4 N12 O4 -","4","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.0236","","","0.049","0.0514","","","","","","1.019","","","","has coordinates","257206","2020-10-21","18:00:00",""
"1557984","9.2294","0.0009","11.1211","0.0011","11.892","0.0019","99.157","0.001","110.946","0.002","114.394","0.001","968.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Br Ir N3 O3 -","- C17 H21 Br Ir N3 O3 -","- C34 H42 Br2 Ir2 N6 O6 -","2","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.029","","","0.0727","0.074","","","","","","1.061","","","","has coordinates,has disorder","257206","2020-10-21","18:00:00",""
"1558022","13.3705","0.0002","7.2739","0.0001","31.8622","0.0005","90","","90","","90","","3098.78","0.08","170","2","170.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min","Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies","Catalysis Science & Technology","2020","10","12","3959","3964","10.1039/D0CY00092B","","","1.34139","GaKα","","0.0351","0.0331","","","0.0861","0.0877","","","","","","1.069","","","","has coordinates","257222","2020-10-21","18:00:00",""
"1558045","9.1084","0.0006","11.7267","0.0007","16.3308","0.0009","85.341","0.002","89.88","0.002","70.285","0.002","1636.05","0.17","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H22 F9 Fe N10 O9 S3 -","- C23 H22 F9 Fe N10 O9 S3 -","- C46 H44 F18 Fe2 N20 O18 S6 -","2","1","","Dyckhoff, Florian; Schlagintweit, Jonas F.; Reich, Robert M.; Kühn, Fritz E.","Pushing the limits of activity and stability: the effects of Lewis acids on non-heme iron‒NHC epoxidation catalysts","Catalysis Science & Technology","2020","10","11","3532","3536","10.1039/D0CY00631A","","x-ray","0.71073","MoKα","","0.065","0.0635","","","0.1688","0.17","","","","","","1.046","","","","has coordinates","257218","2020-10-21","18:00:00",""
"1558072","14.6069","0.0006","8.871","0.0004","12.0927","0.0008","90","","90.801","0.003","90","","1566.79","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N2 O4 Re -","- C15 H19 N2 O4 Re -","- C60 H76 N8 O16 Re4 -","4","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0406","0.0354","","","0.0886","0.0913","","","","","","1.054","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558073","23.927","0.0007","9.4928","0.0003","22.1646","0.0007","90","","106.575","0.002","90","","4825.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 N2 O4 Re -","- C23 H35 N2 O4 Re -","- C184 H280 N16 O32 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0503","0.0296","","","0.0562","0.0611","","","","","","1.012","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558074","8.90063","0.00016","11.9803","0.0003","31.8099","0.0007","90","","90","","90","","3391.96","0.13","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N3 O6 Re -","- C15 H18 N3 O6 Re -","- C120 H144 N24 O48 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0402","0.0229","","","0.0403","0.0443","","","","","","1.028","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558149","20.1441","0.0007","12.2778","0.0004","11.4937","0.0004","90","","92.993","0.001","90","","2838.8","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N2 O10 S2 -","- C28 H24 Co N2 O10 S2 -","- C112 H96 Co4 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0307","0.0273","","","0.0684","0.0712","","","","","","1.054","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558150","20.1868","0.0004","12.2668","0.0003","11.4817","0.0002","90","","92.862","0.002","90","","2839.64","0.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C112 H96 Co3.16 Fe0.84 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","1.54184","CuKα","","0.0341","0.0325","","","0.0878","0.0892","","","","","","0.996","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558151","20.1616","0.0004","12.1398","0.0004","11.4274","0.0003","90","","92.792","0.001","90","","2793.63","0.13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C112 H96 Co1.16 N8 Ni2.84 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0274","0.0256","","","0.0638","0.0649","","","","","","1.078","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558164","11.7394","0.0001","14.7656","0.0002","14.6955","0.0002","90","","108.172","0.001","90","","2420.26","0.05","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Cl F6 N2 O P Ru Sb -","- C16 H29 Cl F6 N2 O P Ru Sb -","- C64 H116 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.037","0.0323","","","0.0782","0.0816","","","","","","1.03","","","","has coordinates,has disorder","257220","2020-10-21","18:00:00",""
"1558165","8.3717","0.0003","21.574","0.0006","14.8558","0.0006","90","","105.025","0.004","90","","2591.39","0.16","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cl F6 N2 O P Ru Sb -","- C17 H31 Cl F6 N2 O P Ru Sb -","- C68 H124 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.0705","0.0584","","","0.1477","0.1647","","","","","","1.043","","","","has coordinates","257220","2020-10-21","18:00:00",""
"1558270","22.6283","0.0013","8.7736","0.0005","18.5643","0.001","90","","105.17","0.002","90","","3557.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.98 H100.97 Fe2 N4 O7.98 Ti2 -","- C70.916 H100.82 Fe2 N4 O7.96 Ti2 -","- C141.832 H201.64 Fe4 N8 O15.92 Ti4 -","2","0.5","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0582","0.0496","","","0.1381","0.1468","","","","","","1.027","","","","has coordinates,has disorder","258777","2020-11-06","10:41:22",""
"1558271","22.8642","0.0012","9.1582","0.0005","19.4463","0.001","90","","106.447","0.001","90","","3905.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57.63 Fe N2 O4 Zr -","- C39 H57.623 Fe N2 O4 Zr -","- C156 H230.492 Fe4 N8 O16 Zr4 -","4","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0437","0.0353","","","0.0841","0.0888","","","","","","1.011","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558272","9.0808","0.0008","9.9464","0.0008","21.5037","0.0018","93.147","0.003","91.175","0.003","115.995","0.002","1741","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.51 H58.93 N2 O4 Zr -","- C31.522 H58.94 N2 O4 Zr -","- C63.044 H117.88 N4 O8 Zr2 -","2","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.055","0.0459","","","0.1051","0.1102","","","","","","0.918","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558273","26.1034","0.0016","13.6068","0.0008","18.7389","0.0011","90","","90.427","0.002","90","","6655.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H58 N2 O4 Ti -","- C30.5 H57.5 N2 O4 Ti -","- C244 H460 N16 O32 Ti8 -","8","2","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0744","0.0656","","","0.1482","0.1522","","","","","","1.185","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558490","26.2086","0.0008","27.5599","0.0008","28.9629","0.0008","90","","90","","90","","20920.1","1.1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C760 H832 B16 Cl16 Co16 F80 O96 P48 -","8","1","","Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias","Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines","Catalysis Science & Technology","2020","10","18","6116","6128","10.1039/D0CY01078B","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1345","","","","","","1.028","","","","has coordinates,has disorder","257217","2020-10-21","18:00:00",""
"1558540","7.1672","0.0003","13.7037","0.0005","17.9697","0.0008","90","","90","","90","","1764.93","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 N Ru -","- C19 H21 Cl2 N Ru -","- C76 H84 Cl8 N4 Ru4 -","4","1","","Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram","One-pot dual catalysis for the hydrogenation of heteroarenes and arenes","Catalysis Science & Technology","2020","10","15","5163","5170","10.1039/D0CY00928H","","x-ray","0.71073","MoKα","","0.0273","0.0232","","","0.0463","0.0477","","","","","","1.06","","","","has coordinates","257216","2020-10-21","18:00:00",""
"1558696","10.1037","0.0006","11.6662","0.0007","23.623","0.0015","90","","97.789","0.002","90","","2758.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Cl Ir N -","- C30 H47 Cl Ir N -","- C120 H188 Cl4 Ir4 N4 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","1.34139","GaKα","","0.0487","0.0461","","","0.1211","0.1231","","","","","","1.146","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558697","9.4294","0.0003","15.2306","0.0004","16.4958","0.0005","90","","94.904","0.001","90","","2360.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Cl I0 Ir N O2 -","- C24 H35 Cl Ir N O2 -","- C96 H140 Cl4 Ir4 N4 O8 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","0.71073","MoKα","","0.0245","0.0198","","","0.0469","0.049","","","","","","0.969","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1559097","8.7417","0.0005","11.0177","0.0006","19.073","0.0011","90","","101.123","0.006","90","","1802.48","0.18","199.9","0.2","199.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0689","0.0509","","","0.1227","0.1331","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559098","8.9007","0.0004","11.1893","0.0004","18.1967","0.0007","90","","93.764","0.004","90","","1808.35","0.13","199.9","0.2","199.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N -","- C23 H19 F2 N -","- C92 H76 F8 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0638","0.0498","","","0.1323","0.1425","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559113","15.1464","0.0002","16.9612","0.0002","26.1549","0.0002","90","","103.943","0.001","90","","6521.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H89 In N2 O3 P2 -","- C65 H89 In N2 O3 P2 -","- C260 H356 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0312","0.0275","","","0.0699","0.0722","","","","","","1.025","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559114","11.4385","0.0004","15.3688","0.0005","15.4343","0.0005","83.413","0.003","78.85","0.003","78.526","0.003","2600.66","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 N2 O2 P2 -","- C50 H74 N2 O2 P2 -","- C100 H148 N4 O4 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0548","0.0451","","","0.1199","0.1289","","","","","","1.027","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559115","11.128","0.0001","18.2363","0.0002","30.9376","0.0004","90","","90","","90","","6278.28","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H85 In N2 O5 P2 -","- C57 H85 In N2 O5 P2 -","- C228 H340 In4 N8 O20 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0281","0.0255","","","0.0615","0.0628","","","","","","1.031","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559116","20.6809","0.0002","18.5748","0.0002","15.7154","0.0002","90","","90","","90","","6036.97","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H87 In N2 O4 P2 -","- C65 H87 In N2 O4 P2 -","- C260 H348 In4 N8 O16 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0291","0.027","","","0.0692","0.0707","","","","","","1.067","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559117","10.9894","0.0002","28.7519","0.001","19.81","0.0004","90","","91.214","0.002","90","","6257.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 In N2 O3 P2 -","- C63 H102 In N2 O3 P2 -","- C252 H408 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0803","0.0584","","","0.1442","0.1581","","","","","","1.026","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559118","14.2993","0.0006","14.3196","0.0006","17.8201","0.0006","105.16","0.004","107.065","0.004","96.826","0.004","3290.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H77 In N2 O3 P2 -","- C52 H77 In N2 O3 P2 -","- C104 H154 In2 N4 O6 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0887","0.0671","","","0.1656","0.1842","","","","","","0.987","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559240","9.1926","0.0006","18.6959","0.0012","18.8899","0.0012","93.315","0.002","103.878","0.0019","98.222","0.002","3105","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Co O4 P -","- C18 H32 Co O4 P -","- C108 H192 Co6 O24 P6 -","6","3","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0437","0.0352","","","0.0867","0.0936","","","","","","1.016","","","","has coordinates,has disorder","260596","2021-01-07","04:17:32",""
"1559241","8.808","0.0009","11.2727","0.0011","11.4608","0.0011","87.2767","0.0016","86.0751","0.0016","81.5105","0.0016","1122.03","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 Co F18 O4 P -","- C15 H8 Co F18 O4 P -","- C30 H16 Co2 F36 O8 P2 -","2","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.029","0.0273","","","0.0675","0.0691","","","","","","1.043","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559242","9.342","0.0004","12.6826","0.0006","22.4709","0.001","90","","93.041","0.0014","90","","2658.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co O6 P -","- C27 H40 Co O6 P -","- C108 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0335","0.0304","","","0.075","0.0766","","","","","","1.092","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559243","10.925","0.0002","12.6105","0.0002","20.1341","0.0003","90","","104.561","0.0005","90","","2684.77","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Co O6 P -","- C24 H40 Co O6 P -","- C96 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0296","0.0258","","","0.0678","0.0705","","","","","","1.023","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559244","17.748","0.002","8.4442","0.0011","16.239","0.002","90","","91.117","0.002","90","","2433.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Co N2 O6 P -","- C21 H34 Co N2 O6 P -","- C84 H136 Co4 N8 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0347","0.0275","","","0.0699","0.0737","","","","","","1.028","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559245","10.7864","0.0006","11.5313","0.0007","22.3359","0.0013","90","","90","","90","","2778.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Co N O5 P -","- C33 H29 Co N O5 P -","- C132 H116 Co4 N4 O20 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0268","0.0247","","","0.0599","0.0612","","","","","","1.052","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559279","35.7359","0.0009","12.1275","0.0002","27.9938","0.0007","90","","112.354","0.002","90","","11220.4","0.5","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C464 H424 Cl24 Cu8 F48 N16 O40 P24 -","8","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","","0.71073","MoKα","","0.0607","0.0432","","","0.1157","0.1218","","","","","","0.938","","","","has coordinates,has disorder","259600","2020-12-06","13:07:17",""
"1559280","11.4434","0.0001","20.2661","0.0002","27.9804","0.0004","90","","99.805","0.001","90","","6394.24","0.13","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H40 Cu F18 N2 O P3 -","- C57 H40 Cu F18 N2 O P3 -","- C228 H160 Cu4 F72 N8 O4 P12 -","4","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","x-ray","1.54184","CuKα","","0.0798","0.0786","","","0.1611","0.1615","","","","","","1.173","","","","has coordinates","259600","2020-12-06","13:07:18",""
"1559301","12.5519","0.0009","23.6646","0.0018","16.9746","0.0012","90","","94.02","0.002","90","","5029.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Cy2NNN)RuCl2(CO)","","- C21.5 H32 Cl2 N3 O2.5 Ru -","- C21.5 H30 Cl2 N3 O2.5 Ru -","- C172 H240 Cl16 N24 O20 Ru8 -","8","2","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0989","0.0672","","","0.1315","0.1572","","","","","","0.925","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559302","9.2304","0.0005","10.8098","0.0006","18.2395","0.0011","90","","96.278","0.002","90","","1809","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(iPr2NNN)RuCl2(CO)","","- C14 H21 Cl2 N3 O2 Ru -","- C14 H21 Cl2 N3 O2 Ru -","- C56 H84 Cl8 N12 O8 Ru4 -","4","1","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0455","0.0376","","","0.0872","0.0939","","","","","","1.042","","","","has coordinates","260595","2021-01-07","04:17:16",""
"1559556","13.346","0.002","17.309","0.003","23.753","0.004","86.026","0.002","89.28","0.002","76.624","0.002","5325.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H156 O28 Si14 Zr2 -","- C68 H156 O28 Si14 Zr2 -","- C136 H312 O56 Si28 Zr4 -","2","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.063","0.0457","","","0.1013","0.1101","","","","","","1.114","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559557","20.0054","0.0014","24.0516","0.0017","27.5739","0.0019","90","","90","","90","","13267.5","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 O28 Si14 Zr2 -","- C96 H184 O28 Si14 Zr2 -","- C384 H736 O112 Si56 Zr8 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0536","0.0345","","","0.0775","0.0878","","","","","","1.022","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559558","18.563","0.004","22.017","0.004","26.445","0.005","90","","90","","90","","10808","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H156 Hf2 O28 Si14 -","- C68 H156 Hf2 O28 Si14 -","- C272 H624 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.1111","0.0503","","","0.107","0.1295","","","","","","0.999","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559559","20.061","0.004","24.064","0.005","27.568","0.005","90","","90","","90","","13308","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 Hf2 O28 Si14 -","- C96 H184 Hf2 O28 Si14 -","- C384 H736 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0341","0.0243","","","0.0558","0.0617","","","","","","1.066","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559560","13.4214","0.0003","14.2596","0.0005","25.2549","0.0007","85.709","0.003","78.946","0.002","69.251","0.003","4435.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H109 N9 Na2 O11 V2 -","- C86 H109 N9 Na2 O11 V2 -","- C172 H218 N18 Na4 O22 V4 -","2","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1354","0.0988","","","0.216","0.2326","","","","","","1.127","","","","has coordinates,has disorder","261518","2021-02-04","22:23:49",""
"1559561","12.0966","0.0002","12.3373","0.0002","17.8971","0.0003","90.8728","0.0008","107.997","0.0007","99.2458","0.0008","2501.28","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.6939","synchrotron","","0.0853","0.0589","","","0.1637","0.1852","","","","","","1.033","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559562","19.7039","0.0009","20.0862","0.0007","20.6921","0.001","90","","113.114","0.005","90","","7532","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H90 Cl2 N2 O8 V2 -","- C80 H90 Cl2 N2 O8 V2 -","- C320 H360 Cl8 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54184","CuKα","","0.1995","0.085","","","0.1975","0.2471","","","","","","1.016","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559563","14.0354","0.0001","17.3396","0.0001","20.1906","0.0001","71.168","0.001","84.459","0.001","66.456","0.001","4260.59","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.053","0.0494","","","0.1442","0.1501","","","","","","1.044","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559564","12.4983","0.0004","13.6976","0.0002","14.1554","0.0003","68.166","0.002","79.128","0.002","75.546","0.002","2165.92","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.0421","0.0407","","","0.1308","0.1319","","","","","","1.116","","","","has coordinates","261518","2021-02-04","22:23:50",""
"1559565","20.0005","0.0013","19.9315","0.0008","22.023","0.002","90","","116.08","0.01","90","","7885.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H90 F6 N2 O8 V2 -","- C82 H90 F6 N2 O8 V2 -","- C328 H360 F24 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71075","MoKα","","0.1928","0.0964","","","0.2235","0.2734","","","","","","1.023","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559566","19.7899","0.0003","20.6775","0.0003","22.7696","0.0005","69.271","0.002","76.567","0.002","78.627","0.001","8407.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1417","0.0881","","","0.223","0.2564","","","","","","1.026","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559567","11.8773","0.0006","12.8721","0.0005","14.5308","0.0006","97.115","0.003","92.063","0.004","98.641","0.004","2176.04","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl2 Co F5 N3 -","- C49 H38 Cl2 Co F5 N3 -","- C98 H76 Cl4 Co2 F10 N6 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","0.71073","MoKα","","0.1013","0.0515","","","0.1174","0.1438","","","","","","1.021","","","","has coordinates","261519","2021-02-04","22:24:06",""
"1559568","20.2887","0.0002","22.5854","0.0002","30.0093","0.0002","94.052","0.001","105.348","0.001","102.898","0.001","12802.4","0.2","169.99","0.14","169.99","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C260 H220 Cl10 Co5 F25 N15 -","- C260 H220 Cl10 Co5 F25 N15 -","- C520 H440 Cl20 Co10 F50 N30 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","1.54184","CuKα","","0.1415","0.0862","","","0.2048","0.2442","","","","","","1.037","","","","has coordinates,has disorder","261519","2021-02-04","22:24:06",""
"1559569","12.4888","0.0001","16.9952","0.0002","19.3546","0.0002","69.171","0.001","75.05","0.001","81.715","0.001","3703.33","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C75 H60 B Cl2 F24 N3 Pd -","- C75 H60 B Cl2 F24 N3 Pd -","- C150 H120 B2 Cl4 F48 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0508","0.0501","","","0.1295","0.1302","","","","","","1.025","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559570","12.8172","0.0002","18.0795","0.0003","16.7528","0.0003","90","","96.977","0.001","90","","3853.36","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Br2 Cl N2 Pd -","- C41 H45 Br2 Cl N2 Pd -","- C164 H180 Br8 Cl4 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0594","0.0532","","","0.1458","0.1538","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559571","11.7251","0.0004","18.4561","0.0006","19.821","0.0006","90","","101.805","0.003","90","","4198.5","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Cl3 N2 O2 Pd -","- C44 H53 Cl3 N2 O2 Pd -","- C176 H212 Cl12 N8 O8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.076","0.0631","","","0.1557","0.1636","","","","","","1.117","","","","has coordinates","261517","2021-02-04","22:23:27",""
"1559572","11.0716","0.0004","16.373","0.0006","21.6279","0.0007","89.42","0.003","76.403","0.003","88.652","0.003","3809.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H45 Cl3 N2 Pd -","- C41 H45 Cl3 N2 Pd -","- C164 H180 Cl12 N8 Pd4 -","4","2","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.08","0.0688","","","0.1742","0.182","","","","","","1.108","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559573","13.006","0.0004","16.863","0.0005","19.2164","0.0006","98.154","0.002","96.07","0.002","99.498","0.002","4078.6","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H67 B F24 I2 N3 Pd -","- C78 H67 B F24 I2 N3 Pd -","- C156 H134 B2 F48 I4 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0727","0.0635","","","0.1706","0.1843","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559574","14.4315","0.0006","16.2211","0.0006","18.6665","0.0008","109.704","0.004","107.844","0.004","95.369","0.003","3820.3","0.3","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C154.5 H133 B2 Cl F48 N6 O4 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0973","0.0767","","","0.2011","0.2201","","","","","","1.074","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559575","10.0308","0.0002","19.7307","0.0004","20.2309","0.0004","90","","101.055","0.002","90","","3929.69","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Cl I2 N2 Pd -","- C41 H45 Cl I2 N2 Pd -","- C164 H180 Cl4 I8 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.0638","0.0447","","","0.0927","0.1004","","","","","","1.056","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559893","15.797","0.0011","10.6695","0.0007","7.533","0.0005","90","","91.679","0.003","90","","1269.11","0.15","149.97","","149.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 O -","- C12 H14 Br2 O -","- C48 H56 Br8 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0495","0.0338","","","0.0772","0.0855","","","","","","1.021","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559894","14.654","0.0014","7.0476","0.0007","17.0806","0.0019","90","","91.653","0.004","90","","1763.3","0.3","149.95","","149.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N6 O -","- C18 H22 N6 O -","- C72 H88 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0903","0.0462","","","0.0985","0.1202","","","","","","1.053","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559895","5.4266","0.0005","52.494","0.005","8.032","0.0008","90","","107.835","0.003","90","","2178.1","0.4","99.57","","99.57","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N6 O -","- C23 H32 N6 O -","- C92 H128 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0511","0.0425","","","0.1063","0.1091","","","","","","1.052","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559971","8.4055","0.0006","18.3319","0.0012","15.0466","0.001","90","","92.57","0.002","90","","2316.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Fe N2 O4 Si2 -","- C20 H30 Fe N2 O4 Si2 -","- C80 H120 Fe4 N8 O16 Si8 -","4","1","","Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita","Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation","Catalysis Science & Technology","2021","11","4","1407","1418","10.1039/D0CY02329A","","","0.71073","MoKα","","0.0838","0.0751","","","0.1296","0.1319","","","","","","1.421","","","","has coordinates","262466","2021-03-05","01:14:10",""
"1560073","5.656","0.0003","8.202","0.0004","16.2422","0.0009","90","","92.949","0.002","90","","752.49","0.07","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,E)-4-(4-methoxybenzylidene)-3-phenyltetrahydrofuran-3-ol","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0893","0.0562","","","0.1274","0.1487","","","","","","1.049","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560074","6.5109","0.0008","8.5749","0.0012","26.234","0.004","90","","90","","90","","1464.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-3-benzyl-4-benzylidenetetrahydrofuran-3-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0752","0.0551","","","0.1249","0.1397","","","","","","1.028","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560075","8.9958","0.0001","12.8818","0.0001","19.2304","0.0002","90","","96.615","0.001","90","","2213.62","0.04","150.01","0.15","150.01","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Al N2 O6 -","- C23 H27 Al N2 O6 -","- C92 H108 Al4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0335","0.0312","","","0.0812","0.083","","","","","","1.045","","","","has coordinates","263610","2021-04-05","13:49:35",""
"1560076","8.9996","0.0001","12.8364","0.0002","19.0472","0.0003","90","","96.745","0.001","90","","2185.15","0.05","150","0.16","150","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Co N2 O6 -","- C23 H27 Co N2 O6 -","- C92 H108 Co4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0375","0.0337","","","0.0807","0.083","","","","","","1.072","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560077","7.869","0.0001","15.7511","0.0002","17.6113","0.0003","90","","90","","90","","2182.84","0.05","149.98","0.18","149.98","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Al N2 O4 -","- C23 H29 Al N2 O4 -","- C92 H116 Al4 N8 O16 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.0957","0.098","","","","","","1.039","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560115","18.363","0.005","3.83","0.0009","14.745","0.003","90","","90","","90","","1037","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H8 Mo N4 O4 -","- C6 H6 Mo N4 O4 -","- C24 H24 Mo4 N16 O16 -","4","0.5","","Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands","Catalysis Science & Technology","2021","11","6","2214","2228","10.1039/D1CY00055A","","","0.71073","MoKα","","0.1075","0.0574","","","0.123","0.1405","","","","","","1.188","","","","has coordinates","263612","2021-04-05","13:49:54",""
"1560129","7.2473","0.0001","12.2693","0.0002","10.9251","0.0001","90","","90.353","0.001","90","","971.43","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C44 H38 N2 O6 S2 Se2 -","2","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.54178","CuKα","","0.0306","0.0304","","","0.081","0.0812","","","","","","0.989","","","","has coordinates","263614","2021-04-05","13:50:08",""
"1560130","5.8297","0.0004","16.2078","0.001","20.9813","0.0013","90","","93.402","0.003","90","","1979","0.2","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C88 H76 N4 O12 S4 Se4 -","4","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.34139","GaKα","","0.065","0.0625","","","0.1592","0.1612","","","","","","1.045","","","","has coordinates","263614","2021-04-05","13:50:09",""
"1560262","16.268","0.003","17.763","0.003","23.082","0.004","87.715","0.01","81.35","0.01","66.621","0.009","6051.3","1.9","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C228 H292 Cl8 N8 O14 P8 Ru4 -","4","4","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1214","0.0836","","","0.2425","0.2708","","","","","","1.062","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560263","14.0362","0.0013","14.0362","0.0013","55.098","0.007","90","","90","","90","","10855","2","193","2","193","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C440 H544 Cl16 N16 O24 P16 Ru8 -","8","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0823","0.0569","","","0.131","0.1416","","","","","","1.028","","","","has coordinates","264853","2021-05-05","07:55:38",""
"1560264","14.485","0.003","13.276","0.003","16.008","0.004","90","","104.344","0.006","90","","2982.4","1.2","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C110 H136 Cl4 N4 O6 P4 Ru2 -","2","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0284","0.0266","","","0.0702","0.0708","","","","","","1.219","","","","has coordinates","264853","2021-05-05","07:55:40",""
"1560265","29.604","0.014","12.869","0.004","29.396","0.014","90","","114.68","0.02","90","","10176","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H58 Cl4 N2 O5 P2 Ru -","- C50 H58 Cl4 N2 O5 P2 Ru -","- C400 H464 Cl32 N16 O40 P16 Ru8 -","8","2","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1347","0.0617","","","0.1278","0.1524","","","","","","1.015","","","","has coordinates","264853","2021-05-05","07:55:41",""
"1560266","13.3642","0.0003","15.0349","0.0003","18.4697","0.0004","89.212","0.001","76.738","0.001","66.771","0.001","3307.09","0.13","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","1","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0361","0.0317","","","0.0901","0.0926","","","","","","1.052","","","","has coordinates,has disorder","264853","2021-05-05","07:55:41",""
"1560480","11.9618","0.0003","16.8603","0.0004","23.0411","0.0006","90","","90","","90","","4646.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","n-Butyltin(IV) benzoate","","- C25 H24 O6 Sn -","- C25 H24 O6 Sn -","- C200 H192 O48 Sn8 -","8","1","","Wolzak, Lukas A.; Hermans, Joen J.; de Vries, Folkert; van den Berg, Keimpe J.; Reek, Joost N. H.; Tromp, Moniek; Korstanje, Ties J.","Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification","Catalysis Science & Technology","2021","11","10","3326","3332","10.1039/D1CY00184A","","","0.71073","MoKα","","0.0478","0.0277","","","0.0497","0.0553","","","","","","1.049","","","","has coordinates","265830","2021-06-05","17:10:18",""
"1560497","8.2268","0.0003","14.3426","0.0006","14.7546","0.0006","90","","90","","90","","1740.95","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl Ir N O2 -","- C18 H23 Cl Ir N O2 -","- C72 H92 Cl4 Ir4 N4 O8 -","4","1","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0147","0.0145","","","0.033","0.033","","","","","","1.189","","","","has coordinates","264852","2021-05-05","07:54:59",""
"1560498","8.7487","0.001","17.713","0.002","20.308","0.003","73.261","0.004","89.913","0.004","83.794","0.004","2994.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl4 F2 Ir2 -","- C30 H32 Cl4 F2 Ir2 -","- C120 H128 Cl16 F8 Ir8 -","4","2","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0815","0.0612","","","0.1395","0.1479","","","","","","1.074","","","","has coordinates,has disorder","264852","2021-05-05","07:55:00",""
"1561024","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","0.3","150","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H48 I2 N2 O7 Zn2 -","- C33 H48 I2 N2 O7 Zn2 -","- C66 H96 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0448","0.0421","","","0.1101","0.1134","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:35",""
"1561025","13.906","0.0002","14.3422","0.0002","37.8508","0.0005","90","","90","","90","","7549.06","0.18","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H48 Ca I2 N2 O7 Zn -","- C33 H48 Ca I2 N2 O7 Zn -","- C264 H384 Ca8 I16 N16 O56 Zn8 -","8","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0417","0.0353","","","0.089","0.0939","","","","","","1.057","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561026","12.3544","0.0001","10.9625","0.0001","19.5187","0.0001","90","","90.048","0.001","90","","2643.52","0.03","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Br Li Mg N2 O5 -","- C25 H32 Br Li Mg N2 O5 -","- C100 H128 Br4 Li4 Mg4 N8 O20 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0265","0.0253","","","0.0678","0.0689","","","","","","1.055","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561027","26.6385","0.0005","12.1506","0.0002","18.5863","0.0003","90","","90","","90","","6015.9","0.18","150","2","150.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H72 Mg3 N6 O12 -","- C63 H72 Mg3 N6 O12 -","- C252 H288 Mg12 N24 O48 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0521","0.0456","","","0.1154","0.1227","","","","","","1.011","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561028","11.2287","0.0004","11.2287","0.0004","32.691","0.002","90","","90","","90","","4121.8","0.3","150","2","150.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C42 H48 Li4 N4 O8 -","- C42 H48 Li4 N4 O8 -","- C168 H192 Li16 N16 O32 -","4","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0624","0.049","","","0.1181","0.1255","","","","","","1.063","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561029","12.2484","0.0003","11.1331","0.0003","19.8508","0.0005","90","","91.174","0.002","90","","2706.34","0.12","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 I Li N2 O5 Zn -","- C25 H32 I Li N2 O5 Zn -","- C100 H128 I4 Li4 N8 O20 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0258","0.0224","","","0.0534","0.0552","","","","","","1.023","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561030","10.7086","0.0001","20.5174","0.0002","8.9876","0.0001","90","","98.462","0.001","90","","1953.19","0.03","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O8 Zn2 -","- C42 H48 N4 O8 Zn2 -","- C84 H96 N8 O16 Zn4 -","2","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0322","0.0305","","","0.082","0.0839","","","","","","1.023","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561031","10.7707","0.0003","17.2439","0.0007","19.6341","0.0006","90","","90.981","0.003","90","","3646.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cd I2 Mg N4 O4 -","- C25 H30 Cd I2 Mg N4 O4 -","- C100 H120 Cd4 I8 Mg4 N16 O16 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","0.71073","MoKα","","0.1102","0.0824","","","0.2613","0.2868","","","","","","1.041","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561032","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H46 I2 N2 O7 Zn2 -","- C33 H46 I2 N2 O7 Zn2 -","- C66 H92 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0448","0.0421","","","0.1103","0.1136","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561033","10.1985","0.0002","10.9552","0.0003","15.6105","0.0003","86.416","0.002","87.592","0.002","73.094","0.002","1664.95","0.07","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H40 Cd I2 N2 O6 Zn -","- C29 H40 Cd I2 N2 O6 Zn -","- C58 H80 Cd2 I4 N4 O12 Zn2 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0825","0.0817","","","0.1787","0.1803","","","","","","1.215","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561034","21.0024","0.0005","10.5844","0.0002","15.9024","0.0003","90","","91.002","0.002","90","","3534.53","0.13","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 I N2 Na O7 Zn -","- C33 H48 I N2 Na O7 Zn -","- C132 H192 I4 N8 Na4 O28 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0477","0.0376","","","0.0949","0.1021","","","","","","1.037","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561035","10.7118","0.0002","20.0019","0.0002","18.6537","0.0003","90","","91.671","0.001","90","","3994.97","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Br2 Mg2 N2 O8 -","- C37 H56 Br2 Mg2 N2 O8 -","- C148 H224 Br8 Mg8 N8 O32 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0672","0.0521","","","0.1427","0.1531","","","","","","1.084","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561513","18.425","0.0007","8.8088","0.0004","17.927","0.0007","90","","113.42","0.001","90","","2669.89","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Cl N P2 Rh S2 -","- C23 H37 Cl N P2 Rh S2 -","- C92 H148 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0226","0.0192","","","0.0491","0.0505","","","","","","1.054","","","","has coordinates","265831","2021-06-05","17:10:30",""
"1561514","11.1268","0.0004","11.9807","0.0005","17.1003","0.0007","90","","92.141","0.001","90","","2278","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl P2 Rh S2 -","- C18 H32 Cl P2 Rh S2 -","- C72 H128 Cl4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0298","0.0245","","","0.0582","0.0619","","","","","","1.026","","","","has coordinates,has disorder","265831","2021-06-05","17:10:35",""
"1561515","9.2984","0.0002","15.248","0.0003","22.7278","0.0004","90","","100.479","0.001","90","","3168.65","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl N P2 Rh S2 -","- C35 H29 Cl N P2 Rh S2 -","- C140 H116 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0233","0.021","","","0.0522","0.0537","","","","","","1.075","","","","has coordinates","265831","2021-06-05","17:10:35",""
"1562424","10.2734","0.0003","14.333","0.0006","21.7148","0.0006","90","","99.339","0.001","90","","3155.09","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Cr N O4 P2 -","- C37 H27 Cr N O4 P2 -","- C148 H108 Cr4 N4 O16 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0668","0.0445","","","0.0903","0.1017","","","","","","1.042","","","","has coordinates","268492","2021-09-06","08:48:08",""
"1562548","16.1662","0.0015","12.7556","0.0012","16.3557","0.0015","90","","96.7815","0.0018","90","","3349.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 Si2 Zr2 -","- C33 H50 N2 Si2 Zr2 -","- C132 H200 N8 Si8 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0527","0.0449","","","0.1129","0.1216","","","","","","1.04","","","","has coordinates,has disorder","266994","2021-07-05","16:05:02",""
"1562549","8.4309","0.0006","8.6096","0.0006","10.3197","0.0008","89.1575","0.0017","78.2307","0.0018","74.7766","0.0017","706.99","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","1","0.5","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","1.54178","CuKα","","0.0328","0.0327","","","0.0889","0.089","","","","","","1.096","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562550","8.3405","0.0002","25.5764","0.0006","14.2103","0.0004","90","","100.188","0.002","90","","2983.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Si Zr2 -","- C33 H40 Si Zr2 -","- C132 H160 Si4 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0326","0.0265","","","0.0697","0.0712","","","","","","1.028","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562551","12.9147","0.0008","16.0454","0.0011","16.0971","0.001","73.455","0.003","74.142","0.003","82.668","0.003","3071.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C120.44 H165.32 Cl3.56 Si8 Zr8 -","4","2","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0311","0.0274","","","0.0685","0.0706","","","","","","1.174","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562893","9.4652","0.0009","9.6082","0.0009","24.647","0.003","90","","90.999","0.003","90","","2241.1","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O2 Os -","- C25 H28 Cl N O2 Os -","- C100 H112 Cl4 N4 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.0626","0.0404","","","0.0712","0.0798","","","","","","0.969","","","","has coordinates","268493","2021-09-06","08:48:31",""
"1562894","6.961","0.003","19.454","0.007","16.217","0.006","90","","95.607","0.008","90","","2185.6","1.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 N2 O2 Os -","- C26 H16 Cl2 N2 O2 Os -","- C104 H64 Cl8 N8 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.1337","0.0765","","","0.127","0.1488","","","","","","1.072","","","","has coordinates","268493","2021-09-06","08:48:42",""
"1563131","36.1891","0.0003","13.7667","0.0001","33.3782","0.0003","90","","107.739","0.001","90","","15838.5","0.2","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H71 Cl2 F8 Fe N3 -","- C85 H71 Cl2 F8 Fe N3 -","- C680 H568 Cl16 F64 Fe8 N24 -","8","2","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0619","0.0467","","","0.1191","0.133","","","","","","1.051","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563132","14.6606","0.0003","14.6606","0.0003","22.0189","0.0005","90","","90","","120","","4098.55","0.15","169.99","0.1","169.99","0.1","","","","","","","","6","P 31","P 31","144","","","","- C57 H51 Cl2 F4 Fe N3 -","- C57 H51 Cl2 F4 Fe N3 -","- C171 H153 Cl6 F12 Fe3 N9 -","3","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0703","0.0494","","","0.1173","0.1315","","","","","","1.038","","","","has coordinates","268491","2021-09-06","08:47:43",""
"1563133","20.1017","0.0005","15.0497","0.0003","18.8974","0.0005","90","","117.144","0.003","90","","5087.3","0.3","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 Cl4 F4 Fe N3 -","- C58 H53 Cl4 F4 Fe N3 -","- C232 H212 Cl16 F16 Fe4 N12 -","4","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.092","0.0799","","","0.2087","0.2188","","","","","","1.036","","","","has coordinates","268491","2021-09-06","08:47:56",""
"1563267","10.3118","0.0003","9.8749","0.0003","16.4567","0.0005","90","","105.396","0.001","90","","1615.62","0.08","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 S -","- C17 H22 N2 O2 S -","- C68 H88 N8 O8 S4 -","4","1","","Schulz, Emmanuelle; Abi Fayssal, Sandra; Naret, Timothée; Huc, Vincent; Buendia, Julien; Martini, Cyril","Benzyloxycalix[8]arene supported Pd-NHC cinnamyl complexes for Buchwald-Hartwig C-N cross-couplings","Catalysis Science & Technology","2021","","","","","10.1039/D1CY00669J","","","0.71073","MoKα","","0.0332","0.0294","","","0.0803","0.0834","","","","","","1.039","","","","has coordinates","266329","2021-06-10","00:49:22",""
"1564316","16.1058","0.0006","12.1316","0.0005","17.2976","0.0007","90","","100.554","0.001","90","","3322.6","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl3 Cr N O P2 -","- C33 H35 Cl3 Cr N O P2 -","- C132 H140 Cl12 Cr4 N4 O4 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0588","0.0396","","","0.0828","0.0932","","","","","","1.06","","","","has coordinates","267929","2021-08-04","03:02:47",""
"1564378","12.4454","0.0003","13.2667","0.0004","16.8433","0.0005","76.118","0.002","87.983","0.002","82.56","0.002","2677.01","0.13","100.02","0.1","100.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H41 Cl Cu3 N15 O8 -","- C56 H40 Cl Cu3 N15 O8 -","- C112 H80 Cl2 Cu6 N30 O16 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","1.54184","CuKα","","0.0473","0.0383","","","0.0958","0.1032","","","","","","1.02","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564379","7.881","0.0002","10.7847","0.0003","12.077","0.0004","91.738","0.002","105.882","0.002","95.876","0.002","980.28","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl Cu N5 O6 -","- C19 H18 Cl Cu N5 O6 -","- C38 H36 Cl2 Cu2 N10 O12 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","0.71073","MoKα","","0.0546","0.039","","","0.0835","0.0923","","","","","","1.059","","","","has coordinates","270342","2021-11-06","18:30:02",""
"1564529","7.4094","0.0002","9.2008","0.0002","14.0802","0.0003","90","","94.27","0.001","90","","957.22","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(amino(dimethylamino)methylene)-N-methylmethanaminiumhydrogen carbonate","","- C6 H15 N3 O3 -","- C6 H15 N3 O3 -","- C24 H60 N12 O12 -","4","1","","Mannisto, Jere K.; Pavlovic, Ljiljana; Tiainen, Tony; Nieger, Martin; Sahari, Aleksi; Hopmann, Kathrin H.; Repo, Timo","Mechanistic insights into carbamate formation from CO2 and amines: the role of guanidine–CO2 adducts","Catalysis Science & Technology","2021","11","20","6877","6886","10.1039/D1CY01433A","","","1.54178","CuKα","","0.0332","0.0308","","","0.0783","0.0799","","","","","","1.037","","","","has coordinates","270343","2021-11-06","18:30:11",""
"1564635","12.4856","0.0003","10.6263","0.0002","15.2385","0.0004","90","","98.181","0.002","90","","2001.2","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl N2 Rh -","- C21 H26 Cl N2 Rh -","- C84 H104 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","x-ray","1.54184","CuKα","","0.0411","0.0378","","","0.1002","0.1045","","","","","","1.045","","","","has coordinates","270344","2021-11-06","18:30:21",""
"1564636","17.8663","0.0007","15.711","0.0006","9.4111","0.0004","90","","96.939","0.004","90","","2622.32","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N2 Rh -","- C29 H34 Cl N2 Rh -","- C116 H136 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","","0.71073","MoKα","","0.0542","0.0518","","","0.1011","0.1024","","","","","","1.206","","","","has coordinates,has disorder","270344","2021-11-06","18:30:21",""
"1564764","12.6058","0.0003","36.234","0.0008","13.4322","0.0004","90","","91.713","0.001","90","","6132.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 B F24 N3 Ni -","- C60 H48 B F24 N3 Ni -","- C240 H192 B4 F96 N12 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Ortega, Daniela E.; Cortés-Arriagada, Diego; Pereira, Alfredo; Daniliuc, Constantin G.; Klitzke, Clecio F.; Santos, Leonardo S.; Rojas, Rene S.","Neutral and cationic methallyl nickel complexes in alkene activation: a combined DFT, ESI-MS and chemometric approach","Catalysis Science & Technology","2021","11","22","7475","7485","10.1039/D1CY01595H","","","0.71073","MoKα","","0.1837","0.0927","","","0.189","0.2411","","","","","","1.029","","","","has coordinates,has disorder","271150","2021-12-07","02:20:39",""
"1564765","14.2641","0.0003","19.0639","0.0004","22.615","0.0005","90","","90","","90","","6149.7","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Pd2 -","- C56 H76 Cl8 N4 Pd2 -","- C224 H304 Cl32 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0411","0.0286","","","0.0567","0.0628","","","","","","1.075","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564766","12.4263","0.0003","14.7841","0.0004","16.2288","0.0004","90","","103.567","0.001","90","","2898.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H74 Br2 N4 O2 Pd2 -","- C54 H74 Br2 N4 O2 Pd2 -","- C108 H148 Br4 N8 O4 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0565","0.0404","","","0.0965","0.1079","","","","","","1.022","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564767","14.6417","0.0004","19.3275","0.0006","22.4789","0.0007","90","","90","","90","","6361.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Br4 Cl4 N4 Pd2 -","- C56 H76 Br4 Cl4 N4 Pd2 -","- C224 H304 Br16 Cl16 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0371","0.0304","","","0.0809","0.0849","","","","","","1.037","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564768","12.5373","0.0003","15.0465","0.0003","16.1547","0.0003","90","","100.064","0.001","90","","3000.57","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H74 Cl2 I4 N4 Pd2 -","- C55 H74 Cl2 I4 N4 Pd2 -","- C110 H148 Cl4 I8 N8 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0197","0.0185","","","0.0412","0.0417","","","","","","1.086","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564769","29.8011","0.0004","13.1568","0.0002","30.6277","0.0004","90","","95.8028","0.0006","90","","11947.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C436 H600 Cl24 N32 O16 Pd16 -","8","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0484","0.0375","","","0.0842","0.092","","","","","","1.017","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564770","25.3642","0.0007","12.2415","0.0003","18.7483","0.0005","90","","105.03","0.001","90","","5622.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 I2 N4 O2 Pd2 -","- C54 H74 I2 N4 O2 Pd2 -","- C216 H296 I8 N16 O8 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0436","0.0337","","","0.0617","0.0661","","","","","","1.059","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1565037","12.4748","0.0008","16.3845","0.0011","21.7988","0.0014","90","","94.3271","0.0017","90","","4442.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cp*Ir(pba)Cl]","4-(picolinamido)benzoic acid pentamethylcyclopentadiene iridium complex","","- C23 H24 Cl Ir N2 O3 -","- C23 H24 Cl Ir N2 O3 -","- C184 H192 Cl8 Ir8 N16 O24 -","8","2","","Zhao, Li-Jun; Yin, Zequn; Shi, Yusheng; Sun, Wen; Sun, Libo; Su, Huijuan; Sun, Xun; Zhang, Weiling; Xia, Linyan; Qi, Caixia","A highly active Cp*Ir complex with an anionic N,N-donor chelate ligand catalyzes the robust regeneration of NADH under physiological conditions","Catalysis Science & Technology","2021","11","24","7982","7991","10.1039/D1CY01458G","","","0.71073","MoKα","","0.0862","0.0493","","","0.1475","0.1657","","","","","","1.1","","","","has coordinates","271827","2022-01-06","20:41:01",""
"1565038","10.2605","0.0002","15.2842","0.0003","26.1552","0.0005","90","","90","","90","","4101.75","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F8 Mn N6 O6 S2 -","- C36 H43.9999 F8 Mn N6 O6 S2 -","- C144 H176 F32 Mn4 N24 O24 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0461","0.038","","","0.0988","0.1031","","","","","","1.045","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565039","10.2594","0.0003","15.1887","0.0004","25.5178","0.0005","90","","90","","90","","3976.36","0.17","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 F6 Fe N6 O7 S2 -","- C34 H48 F6 Fe N6 O7 S2 -","- C136 H192 F24 Fe4 N24 O28 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0541","0.0397","","","0.0931","0.0981","","","","","","1.059","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565040","5.9384","0.0001","5.3053","0.0001","15.9518","0.0004","90","","93.289","0.001","90","","501.734","0.018","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F N O3 -","- C10 H12 F N O3 -","- C20 H24 F2 N2 O6 -","2","1","","Zhang, Rui; Tan, Jiamu; Luo, Zhenzhen; Dong, Haihong; Ma, Ningshan; Liao, Cangsong","Stereo-selective synthesis of non-canonical γ-hydroxy-α-amino acids by enzymatic carbon–carbon bond formation","Catalysis Science & Technology","2021","11","22","7380","7385","10.1039/D1CY00955A","","","1.54178","CuKα","","0.0268","0.026","","","0.0656","0.0676","","","","","","1.095","","","","has coordinates","271151","2021-12-07","02:20:50",""
"1565138","7.94037","0.00015","10.1189","0.0002","12.8889","0.0003","87.2665","0.0019","76.201","0.002","70.5516","0.0019","947.75","0.04","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Br Mn N3 O4 -","- C16 H23 Br Mn N3 O4 -","- C32 H46 Br2 Mn2 N6 O8 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0328","0.0324","","","0.0892","0.0894","","","","","","1.0285","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565139","7.71788","0.00015","10.1753","0.0002","13.2154","0.0002","103.067","0.0016","101.353","0.0015","108.667","0.0017","916.12","0.03","169.98","0.1","169.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br Mn N2 O3 S -","- C16 H20 Br Mn N2 O3 S -","- C32 H40 Br2 Mn2 N4 O6 S2 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0915","0.0919","","","","","","1.0414","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565140","9.1878","0.0018","28.171","0.006","10.117","0.002","90","","105.67","0.03","90","","2521.3","1","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br Mn N2 O3 P -","- C26 H24 Br Mn N2 O3 P -","- C104 H96 Br4 Mn4 N8 O12 P4 -","4","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","","0.71073","MoKα","","0.082","0.0806","","","0.1849","0.1859","","","","","","1.064","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565172","7.918","0.0002","17.8","0.0005","14.7128","0.0005","90","","95.2089","0.0014","90","","2065.06","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Br N4 O2 Ru -","- C20 H23 Br N4 O2 Ru -","- C80 H92 Br4 N16 O8 Ru4 -","4","1","","Illam, Praseetha Mathoor; Rit, Arnab","Electronically tuneable orthometalated RuII–NHC complexes as efficient catalysts for C–C and C–N bond formations via borrowing hydrogen strategy","Catalysis Science & Technology","2022","12","1","67","74","10.1039/D1CY01767E","","","0.71073","MoKα","","0.0407","0.028","","","0.0561","0.06","","","","","","1.055","","","","has coordinates","272554","2022-02-04","19:03:09",""
"1565173","5.446","0.0006","5.7605","0.0008","4.9406","0.0006","90","","90","","90","","154.99","0.03","296","2","296","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0512","0.0458","","","0.1094","0.1114","","","","","","1.268","","","","has coordinates","272555","2022-02-04","19:03:18",""
"1565174","17.5321","0.0014","17.5321","0.0014","10.9885","0.001","90","","90","","120","","2925.1","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H25 Co N2 O6 -","- C19 H25 Co N2 O6 -","- C114 H150 Co6 N12 O36 -","6","1","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0903","0.0512","","","0.0983","0.1081","","","","","","1.028","","","","has coordinates,has disorder","272555","2022-02-04","19:03:18",""
"1565488","10.0784","0.0003","11.7543","0.0003","30.5885","0.0007","90","","90","","90","","3623.65","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 N2 O P2 -","- C43 H44 N2 O P2 -","- C172 H176 N8 O4 P8 -","4","1","","Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G.","Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis","Catalysis Science & Technology","2022","12","5","1392","1399","10.1039/D1CY02017J","","","1.54178","CuKα","","0.0247","0.0246","","","0.0645","0.0646","","","","","","1.058","","","","has coordinates","274938","2022-05-05","20:17:57",""
"1565975","15.755","0.0003","25.4335","0.0004","21.5604","0.0004","90","","92.253","0.001","90","","8632.7","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H252 F4 N6 O71 V24 -","- C113 H252 F4 N6 O71 V24 -","- C226 H504 F8 N12 O142 V48 -","2","0.5","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0435","0.0358","","","0.0882","0.0925","","","","","","1.025","","","","has coordinates,has disorder","274936","2022-05-05","20:17:34",""
"1565976","17.7995","0.0004","23.6442","0.0005","20.9424","0.0004","90","","91.945","0.001","90","","8808.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H126 F2 N4 O34 V12 -","- C59 H126 F2 N4 O34 V12 -","- C236 H504 F8 N16 O136 V48 -","4","1","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0773","0.0559","","","0.1338","0.1455","","","","","","1.05","","","","has coordinates,has disorder","274936","2022-05-05","20:17:35",""
"1565977","17.199","0.0004","21.6914","0.0005","54.059","0.0012","90","","90","","90","","20167.8","0.8","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H117 F2 N3 O32 V12 -","- C52 H117 F2 N3 O32 V12 -","- C416 H936 F16 N24 O256 V96 -","8","2","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.1321","0.0905","","","0.2017","0.2254","","","","","","1.057","","","","has coordinates","274936","2022-05-05","20:17:35",""
"1566090","14.06525","0.00017","25.1567","0.0004","13.9309","0.0002","90","","100.051","0.0014","90","","4853.59","0.12","160","1","160","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N4 O5 P Ru -","- C21 H16 Cl N4 O5 P Ru -","- C168 H128 Cl8 N32 O40 P8 Ru8 -","8","1","","Bühler, Jan; Zurflüh, Jonas; Siol, Sebastian; Blacque, Olivier; Sévery, Laurent; Tilley, S. David","Electrochemical ruthenium-catalysed C–H activation in water through heterogenization of a molecular catalyst","Catalysis Science & Technology","2022","12","5","1512","1519","10.1039/D1CY01999F","","x-ray","1.54184","CuKα","","0.0623","0.0518","","","0.1359","0.1444","","","","","","1.043","","","","has coordinates","274939","2022-05-05","20:18:05",""
"1566239","39.433","0.003","39.433","0.003","16.2564","0.0005","90","","90","","120","","21891","2","200.15","","200.15","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C45.27 H22 Al Cl2 Cr0.18 O15.33 Zr3 -","- C45.26 H22 Al Cl2 Cr0.184 O15.3334 Zr3 -","- C271.56 H132 Al6 Cl12 Cr1.104 O92.0004 Zr18 -","6","0.25","","Goetjen, Timothy A.; Knapp, Julia G.; Syed, Zoha H.; Hackler, Ryan A.; Zhang, Xuan; Delferro, Massimiliano; Hupp, Joseph T.; Farha, Omar K.","Ethylene polymerization with a crystallographically well-defined metal–organic framework supported catalyst","Catalysis Science & Technology","2022","12","5","1619","1627","10.1039/D1CY01990B","","x-ray","1.54184","CuKα","","0.1033","0.0859","","","0.2454","0.2678","","","","","","1.021","","","","has coordinates,has disorder","274937","2022-05-05","20:17:48",""
"1566376","7.3409","0.0003","8.2378","0.0003","14.1911","0.0006","77.242","0.001","85.133","0.002","77.261","0.001","815.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl2 Co N3 O -","- C15 H19 Cl2 Co N3 O -","- C30 H38 Cl4 Co2 N6 O2 -","2","1","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0193","0.0184","","","0.0467","0.0475","","","","","","1.029","","","","has coordinates","274940","2022-05-05","20:18:26",""
"1566377","16.65","0.0009","24.8705","0.0012","7.9667","0.0005","90","","90.49","0.002","90","","3298.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cl2 Co N3 -","- C15 H21 Cl2 Co N3 -","- C120 H168 Cl16 Co8 N24 -","8","2","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0481","0.0439","","","0.0834","0.0855","","","","","","1.132","","","","has coordinates","274940","2022-05-05","20:18:27",""
"1566663","12.6529","0.0005","18.7504","0.0006","15.5836","0.0005","90","","90","","90","","3697.2","0.2","104.9","","104.9","","","","","","","","","8","P c a 21","P 2c -2ac","29","","Potassium (hydrido carbonyl dimethylsulfoxido N,Nï>?-bis(diphenylphosphino)-2,6-diamidopyridino ruthenate (II))","","- C36 H37 K N3 O3 P2 Ru S -","- C36 H37 K N3 O3 P2 Ru S -","- C144 H148 K4 N12 O12 P8 Ru4 S4 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","x-ray","1.54178","CuKα","","0.06","0.0521","","","0.1374","0.1467","","","","","","1.031","","","","has coordinates,has disorder","275779","2022-06-06","01:37:49",""
"1566664","14.8971","0.0003","22.753","0.0004","28.6172","0.0004","90","","100.332","0.0006","90","","9542.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H83 N6 O3 P6 Ru2 -","- C100 H83 N6 O3 P6 Ru2 -","- C400 H332 N24 O12 P24 Ru8 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.05","0.043","","","0.0975","0.102","","","","","","1.038","","","","has coordinates,has disorder","275779","2022-06-06","01:38:01",""
"1566665","25.849","0.005","19.5041","0.0003","21.0152","0.0004","90","","90","","90","","10595","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C51 H48 Cl N4 O2 P3 Ru -","- C51 H48 Cl N4 O2 P3 Ru -","- C408 H384 Cl8 N32 O16 P24 Ru8 -","8","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.0343","0.0277","","","0.0673","0.0704","","","","","","1.023","","","","has coordinates","275779","2022-06-06","01:38:01",""
"1566680","9.9652","0.0003","18.349","0.0005","23.3602","0.0009","90","","96.462","0.003","90","","4244.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H47 Co O3 P2 -","- C50.5 H47 Co O3 P2 -","- C202 H188 Co4 O12 P8 -","4","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71075","MoKα","","0.1079","0.0512","","","0.1233","0.1468","","","","","","1.009","","","","has coordinates,has disorder","275775","2022-06-06","01:36:45",""
"1566681","10.8578","0.0008","11.6947","0.0009","17.4282","0.0013","106.744","0.003","95.84","0.003","112.496","0.003","1900.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H32 Co2 O7 P2 -","- C45 H32 Co2 O7 P2 -","- C90 H64 Co4 O14 P4 -","2","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71073","MoKα","","0.0375","0.0292","","","0.0719","0.0782","","","","","","1.034","","","","has coordinates","275775","2022-06-06","01:36:46",""
"1566688","15.262","0.0006","12.8154","0.0005","20.9917","0.0008","90","","108.535","0.0016","90","","3892.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C117.6 H163.2 Cl35.2 N8 P8 Pd4 -","4","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0395","0.0317","","","0.0781","0.0837","","","","","","1.043","","","","has coordinates,has disorder","275777","2022-06-06","01:37:18",""
"1566689","9.1591","0.0008","11.3142","0.001","15.1394","0.0014","103.273","0.002","102.525","0.002","105.201","0.002","1408","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 B2 N2 P2 -","- C26 H40 B2 N2 P2 -","- C52 H80 B4 N4 P4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0361","0.0328","","","0.0882","0.0919","","","","","","1.034","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566690","11.2734","0.0007","12.1729","0.0007","13.5903","0.0008","73.9005","0.0013","72.8892","0.0013","73.6404","0.0012","1671.4","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C56 H68 F12 N4 O12 P4 Pd2 S4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0207","0.0201","","","0.0501","0.0506","","","","","","1.027","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566769","17.3","0.003","17.4","","18.975","0.003","90","","90","","90","","5711.9","1.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H28 Bi N4 O9 -","- C48 H28 Bi N4 O9 -","- C192 H112 Bi4 N16 O36 -","4","1","","Xie, Dale; Wang, Sheng; Li, Shihao; Yang, Wenqing; Feng, Yi-Si","A two-dimensional Bi-based porphyrin metal–organic framework photocatalyst for white light-driven selective oxidation of sulfides","Catalysis Science & Technology","2022","12","10","3254","3260","10.1039/D2CY00387B","","x-ray","0.71073","MoKα","","0.0786","0.0474","","","0.0899","0.0964","","","","","","0.719","","","","has coordinates","275776","2022-06-06","01:37:08",""
"1566791","11.4082","0.0016","13.035","0.002","14.939","0.002","66.497","0.006","68.941","0.006","83.213","0.007","1900.3","0.5","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C38 H63 In N2 O3 -","- C38 H63 In N2 O3 -","- C76 H126 In2 N4 O6 -","2","1","","Bruckmoser, Jonas; Henschel, Daniel; Vagin, Sergei; Rieger, Bernhard","Combining high activity with broad monomer scope: indium salan catalysts in the ring-opening polymerization of various cyclic esters","Catalysis Science & Technology","2022","12","10","3295","3302","10.1039/D2CY00436D","","x-ray","0.71073","MoKα","","0.051","0.0418","","","0.1004","0.1049","","","","","","0.997","","","","has coordinates","275778","2022-06-06","01:37:27",""
"1567084","11.9522","0.0003","13.5271","0.0004","14.8191","0.0005","90","","104.592","0.003","90","","2318.65","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0534","0.041","","","0.0929","0.1015","","","","","","1.042","","","","has coordinates,has disorder","277087","2022-08-06","11:33:45",""
"1567085","9.9307","0.0003","17.6625","0.0006","22.0161","0.001","90","","90","","90","","3861.6","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H72 Cr2 Li4 O4 -","- C32 H72 Cr2 Li4 O4 -","- C128 H288 Cr8 Li16 O16 -","4","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0981","0.0619","","","0.1525","0.1775","","","","","","1.062","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567086","9.3625","0.0003","12.7925","0.0003","19.2108","0.0005","90","","96.406","0.003","90","","2286.51","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0583","0.0467","","","0.1067","0.1121","","","","","","1.115","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567159","9.7214","0.0018","12.92","0.002","17.269","0.003","77.514","0.005","83.542","0.006","79.876","0.006","2078.5","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H37 Co N5 P -","- C56 H37 Co N5 P -","- C112 H74 Co2 N10 P2 -","2","1","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1912","0.081","","","0.1323","0.1739","","","","","","1.03","","","","has coordinates","277649","2022-09-06","09:44:34",""
"1567160","14.3899","0.0007","16.2551","0.0008","19.6213","0.0009","91.265","0.002","108.634","0.002","94.679","0.002","4328.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H36 Co N6 P -","- C57 H36 Co N6 P -","- C228 H144 Co4 N24 P4 -","4","2","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1385","0.0812","","","0.1866","0.2263","","","","","","1.018","","","","has coordinates,has disorder","277649","2022-09-06","09:45:17",""
"1567179","15.1207","","5.2004","","7.6325","","90","","95.5358","","90","","597.372","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 Pb S2 -","- C12 H10 O2 Pb S2 -","- C24 H20 O4 Pb2 S4 -","2","0.5","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα1","","0.0598","0.0557","","0.0637","0.0627","","","","1","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567180","7.4789","0.0007","5.2068","0.0005","17.4623","0.0016","90","","93.3828","0.0019","90","","678.82","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Pb S2 -","- C6 H4 Pb S2 -","- C24 H16 Pb4 S8 -","4","1","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα","","0.018","0.0179","","0.0218","0.0217","","","","0.88","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567274","5.5106","0.0002","7.7117","0.0003","9.6692","0.0003","70.09","0.001","86.972","0.001","85.438","0.001","384.97","0.02","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H15 F2 N O -","- C19 H15 F2 N O -","- C19 H15 F2 N O -","1","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0334","0.031","","","0.0783","0.0809","","","","","","1.036","","","","has coordinates","277648","2022-09-06","09:42:54",""
"1567275","11.9237","0.0004","10.5309","0.0004","12.4165","0.0003","90","","114.482","0.001","90","","1418.93","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F2 N O -","- C17 H17 F2 N O -","- C68 H68 F8 N4 O4 -","4","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0577","0.0427","","","0.1043","0.1166","","","","","","1.054","","","","has coordinates","277648","2022-09-06","09:43:43",""
"1567424","11.3315","0.0007","12.2669","0.0008","14.2038","0.001","77.65","0.003","88.094","0.003","75.63","0.002","1867.9","0.2","100","","100","","","","","","","","see text","8","P 1","P 1","1","","","","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","1","1","","Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E.","Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance","Catalysis Science & Technology","2022","12","18","5597","5603","10.1039/D2CY01036D","","x-ray","0.71073","MoKα","","0.0369","0.0359","","","0.0961","0.0973","","","","","","1.058","","","","has coordinates,has disorder","278393","2022-10-07","00:37:23",""
"1567446","20.6047","0.0009","11.4378","0.0005","10.1417","0.0005","90","","92.408","0.004","90","","2388.01","0.19","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N2 O2 -","- C29 H33 N2 O2 -","- C116 H132 N8 O8 -","4","1","","Yang, Zhi-Wen; Chen, Jin-Mei; Qiu, Li-Qi; Xie, Wen-Jun; He, Liang-Nian","Solar energy-driven electrolysis with molecular catalysts for the reduction of carbon dioxide coupled with the oxidation of 5-hydroxymethylfurfural","Catalysis Science & Technology","2022","12","18","5495","5500","10.1039/D2CY01195F","","x-ray","0.71073","MoKα","","0.0873","0.0649","","","0.1663","0.176","","","","","","1.018","","","","has coordinates","278394","2022-10-07","00:37:31",""
"1567491","23.213","0.005","6.0771","0.0002","30.525","0.006","90","","151.09","0.05","90","","2082","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 N2 O2 S -","- C22 H20 Cl2 N2 O2 S -","- C88 H80 Cl8 N8 O8 S4 -","4","1","","Gurung, Bikram; Pradhan, Sajan; Sharma, Debesh; Bhujel, Deshaj; Basel, Siddhant; Chettri, Shivanand; Rasaily, Sagarmani; Pariyar, Anand; Tamang, Sudarsan","CsPbBr3 perovskite quantum dots as a visible light photocatalyst for cyclisation of diamines and amino alcohols: an efficient approach to synthesize imidazolidines, fused-imidazolidines and oxazolidines","Catalysis Science & Technology","2022","12","19","5891","5898","10.1039/D2CY00799A","","","1.54184","CuKα","","0.069","0.0585","","","0.1673","0.1886","","","","","","1.039","","","","has coordinates","278391","2022-10-07","00:37:04",""
"1567535","9.7337","0.001","6.0539","0.0006","21.73","0.002","90","","101.532","0.003","90","","1254.6","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H26 N4 O2 Zn -","- C28 H26 N4 O2 Zn -","- C56 H52 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0416","0.0388","","","0.1045","0.1071","","","","","","1.089","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567536","9.911","0.003","6.0729","0.0009","27.229","0.004","90","","93.877","0.016","90","","1635.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H36 N4 O2 Zn -","- C36 H36 N4 O2 Zn -","- C72 H72 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.071","0.0564","","","0.1526","0.1665","","","","","","1.039","","","","has coordinates,has disorder","278958","2022-11-07","05:03:52",""
"1567537","27.956","0.007","5.988","0.0014","19.792","0.01","90","","123.7","0.03","90","","2756.4","1.9","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N4 O4 Zn -","- C30 H30 N4 O4 Zn -","- C120 H120 N16 O16 Zn4 -","4","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0386","0.036","","","0.0983","0.1004","","","","","","1.054","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567562","10.0485","0.0005","17.8373","0.0009","26.9426","0.0015","90","","98.285","0.005","90","","4778.7","0.4","293","2","293.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 B2 F8 N4 O P2 Ru -","- C49 H46 B2 F8 N4 O P2 Ru -","- C196 H184 B8 F32 N16 O4 P8 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.11","0.0613","","","0.1395","0.1666","","","","","","0.989","","","","has coordinates","278957","2022-11-07","05:03:39",""
"1567563","17.8555","0.0005","10.37049","0.00019","18.2838","0.0005","90","","110.261","0.003","90","","3176.13","0.15","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B F4 N4 O P Ru -","- C32 H34 B F4 N4 O P Ru -","- C128 H136 B4 F16 N16 O4 P4 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.0618","0.0427","","","0.0948","0.1062","","","","","","1.026","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567564","17.5755","0.0006","19.7613","0.0008","21.9822","0.0009","106.12","0.004","103.92","0.003","103.786","0.003","6727.3","0.5","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H32 Cl N4 O P Ru -","- C31 H32 Cl N4 O P Ru -","- C248 H256 Cl8 N32 O8 P8 Ru8 -","8","4","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.1274","0.0962","","","0.2659","0.2852","","","","","","1.038","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567672","22.26","0.008","14.479","0.006","22.541","0.008","90","","106.1","0.04","90","","6980","5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C74 H80 Cl2 N4 Pd2 -","- C74 H80 Cl2 N4 Pd2 -","- C296 H320 Cl8 N16 Pd8 -","4","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.4374","0.1364","","","0.2642","0.3906","","","","","","0.839","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567673","15.8974","0.0008","16.5103","0.0007","21.77","0.002","90","","90","","90","","5714","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Cl N2 Pd -","- C31 H37 Cl N2 Pd -","- C248 H296 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0724","0.0387","","","0.0825","0.0964","","","","","","1.011","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567674","19.238","0.0014","17.9782","0.0018","21.2489","0.0009","90","","90","","90","","7349.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C328 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.068","0.0369","","","0.083","0.0987","","","","","","1.023","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567675","14.159","0.0004","17.0852","0.0008","29.6394","0.0009","90","","90","","90","","7170","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 Cl N2 Pd -","- C40 H47 Cl N2 Pd -","- C320 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0942","0.0521","","","0.104","0.1227","","","","","","1.031","","","","has coordinates,has disorder","278959","2022-11-07","05:04:10",""
"1567708","26.505","0.006","5.5966","0.0007","9.4104","0.0011","90","","98.519","0.015","90","","1380.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1258","0.0726","","","0.1669","0.2072","","","","","","1.066","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567709","5.5956","0.0004","23.7388","0.0013","9.2195","0.0006","90","","99.725","0.007","90","","1207.05","0.14","453","2","453","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenyl-1H-indole-1-carboxamide","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0725","0.0519","","","0.1231","0.1371","","","","","","1.082","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567710","8.0666","0.0006","12.7868","0.0008","15.6641","0.0011","77.581","0.006","87.401","0.006","78.419","0.006","1545.76","0.19","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H13 B Cl F15 N2 O -","- C34 H13 B Cl F15 N2 O -","- C68 H26 B2 Cl2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0703","0.0451","","","0.094","0.1125","","","","","","0.969","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567711","7.9694","0.0004","12.4723","0.0008","15.5816","0.0008","78.311","0.005","86.618","0.004","79.065","0.004","1488.76","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H14 B F15 N2 O -","- C34 H14 B F15 N2 O -","- C68 H28 B2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0718","0.0443","","","0.0878","0.1047","","","","","","1.062","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567712","15.121","0.002","6.9264","0.0007","9.8879","0.0013","90","","109.906","0.014","90","","973.7","0.2","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H7 B Cl3 N -","- C8 H7 B Cl3 N -","- C32 H28 B4 Cl12 N4 -","4","0.5","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0518","0.0378","","","0.0754","0.083","","","","","","1.118","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567713","12.7275","0.0004","16.2624","0.0004","19.5564","0.0006","69.141","0.003","77.001","0.003","87.734","0.002","3681.9","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H17 B Br Cl4 F10 N3 O2 -","- C36 H17 B Br Cl3.99995 F10 N3 O2 -","- C144 H68 B4 Br4 Cl15.9998 F40 N12 O8 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0699","0.0584","","","0.1632","0.1792","","","","","","1.04","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567714","10.0506","0.0006","12.4111","0.0009","19.1784","0.0012","99.504","0.005","93.559","0.005","90.568","0.005","2354.4","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl N2 O Si -","- C25 H25 Cl N2 O Si -","- C100 H100 Cl4 N8 O4 Si4 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.1023","0.0588","","","0.1384","0.1677","","","","","","0.966","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567715","16.5207","0.0004","9.9632","0.0002","34.818","0.0009","90","","91.771","0.002","90","","5728.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-cyclohexyl-1,1-dipropylurea","","- C13 H26 N2 O -","- C13 H26 N2 O -","- C208 H416 N32 O16 -","16","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0721","0.0559","","","0.1568","0.1717","","","","","","1.052","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567716","22.5646","0.0017","13.0075","0.001","8.9569","0.001","90","","95.53","0.008","90","","2616.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1563","0.065","","","0.1463","0.193","","","","","","1.072","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567717","5.6086","0.0002","9.3087","0.0003","23.8205","0.0007","90","","90.95","0.003","90","","1243.47","0.07","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Cl F5 N O -","- C13 H5 Cl F5 N O -","- C52 H20 Cl4 F20 N4 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0431","0.0377","","","0.0997","0.1053","","","","","","1.043","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567718","5.7822","0.0003","12.3852","0.0006","27.1093","0.0014","90","","90","","90","","1941.4","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl N3 O2 -","- C23 H18 Cl N3 O2 -","- C92 H72 Cl4 N12 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0764","0.0667","","","0.1709","0.1829","","","","","","1.027","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567777","9.6677","0.0004","11.6496","0.0003","12.2679","0.0005","109.146","0.003","112.87","0.004","91.797","0.003","1182.45","0.09","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl2 N2 P Zn -","- C24 H27 Cl2 N2 P Zn -","- C48 H54 Cl4 N4 P2 Zn2 -","2","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.036","0.0352","","","0.1013","0.102","","","","","","1.071","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567778","14.5983","0.0001","11.3593","0.0001","16.4355","0.0001","90","","101.497","0.001","90","","2670.76","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl2 N2 P Zn -","- C29 H29 Cl2 N2 P Zn -","- C116 H116 Cl8 N8 P4 Zn4 -","4","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.0342","0.0326","","","0.0893","0.0907","","","","","","1.031","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567788","8.8255","0.001","11.6235","0.0014","12.598","0.0015","73.4523","0.0018","75.8056","0.0018","72.4567","0.0018","1163.1","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 F6 Mn N4 O6 S2 -","- C16 H16 F6 Mn N4 O6 S2 -","- C32 H32 F12 Mn2 N8 O12 S4 -","2","1","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0576","0.0404","","","0.0966","0.1089","","","","","","1.03","","","","has coordinates,has disorder","280157","2023-01-06","09:26:30",""
"1567789","8.9946","0.0007","9.9209","0.0008","12.2244","0.0009","90","","105.646","0.003","90","","1050.42","0.14","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C14 H15 F6 Mn N3 O7 S2 -","- C14 H15 F6 Mn N3 O7 S2 -","- C28 H30 F12 Mn2 N6 O14 S4 -","2","0.5","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0473","0.0466","","","0.1046","0.1049","","","","","","1.217","","","","has coordinates,has disorder","280157","2023-01-06","09:26:31",""
"1567795","14.7885","0.0016","17.1958","0.0019","15.9928","0.0018","90","","96.222","0.002","90","","4043","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C128 H204 Cl8 F12 Ir8 N8 O20 P8 S4 -","4","1","","Do, Van K.; Alfonso Vargas, Nicolas; Chavez, Anthony J.; Zhang, Long; Cherepakhin, Valeriy; Lu, Zhiyao; Currier, Robert P.; Dub, Pavel A.; Gordon, John C.; Williams, Travis J.","Pressurized formic acid dehydrogenation: an entropic spring replaces hydrogen compression cost","Catalysis Science & Technology","2022","12","23","7182","7189","10.1039/D2CY00676F","","","0.71073","MoKα","","0.0463","0.0284","","","0.0494","0.0538","","","","","","1.027","","","","has coordinates","280159","2023-01-06","09:26:50",""
"1567796","14.2283","0.0005","12.4939","0.0004","8.2937","0.0002","90","","98.4225","0.0012","90","","1458.44","0.08","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14.96 H11.84 Cl0.02 N2 O5.98 Pt0.02 S0.98 -","- C14.959 H11.836 Cl0.0205 N2 O5.9795 Pt0.0205 S0.9795 -","- C59.836 H47.344 Cl0.082 N8 O23.918 Pt0.082 S3.918 -","4","1","","Maciulis, Nicholas A.; Wasim, Eman; Rezvani, Fereshteh; Pink, Maren; Sterbinsky, George E.; Caulton, Kenneth G.; Tait, Steven L.","Carboxylic acid ligand substituent impacts hydrosilylation activity of platinum single atom catalysts on ceria","Catalysis Science & Technology","2022","12","24","7349","7360","10.1039/D2CY01017H","","","0.71073","MoKα","","0.048","0.0385","","","0.093","0.0986","","","","","","1.042","","","","has coordinates,has disorder","280155","2023-01-06","09:26:15",""
"1567839","6.8699","0.0003","19.185","0.0009","8.392","0.0004","90","","105.318","0.002","90","","1066.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Co2 O20 P4 -","- C8 H16 Co2 O20 P4 -","- C16 H32 Co4 O40 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0545","0.0376","","","0.0859","0.0927","","","","","","1.043","","","","has coordinates","280154","2023-01-06","09:26:06",""
"1567840","10.6044","0.0004","10.3561","0.0004","13.9206","0.0006","90","","97.323","0.001","90","","1516.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H40 Ni3 O30 P4 -","- C8 H40 Ni3 O30 P4 -","- C16 H80 Ni6 O60 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0528","0.0399","","","0.0946","0.1015","","","","","","1.069","","","","has coordinates","280154","2023-01-06","09:26:07",""
"1567867","8.2809","0.0007","22.5668","0.0016","16.3964","0.0018","90","","103.932","0.008","90","","2973.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","",";","","- C28 H37 Cl4 P -","- C28 H37 Cl4 P -","- C112 H148 Cl16 P4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","","0.71073","MoKα","","0.1398","0.0988","","","0.2768","0.3098","","","","","","1.054","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567868","8.8604","0.0009","17.881","0.002","18.306","0.0019","90","","95.479","0.004","90","","2887","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Cl2 N O Ru -","- C31 H43 Cl2 N O Ru -","- C124 H172 Cl8 N4 O4 Ru4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0401","0.0315","","","0.0688","0.0733","","","","","","0.959","","","","has coordinates,has disorder","281311","2023-03-04","17:35:34",""
"1567869","10.4383","0.0014","12.2309","0.0016","13.85","0.002","99.897","0.005","93.661","0.005","99.297","0.005","1711.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H49 Cl4 N O Ru -","- C34 H49 Cl4 N O Ru -","- C68 H98 Cl8 N2 O2 Ru2 -","2","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0799","0.0604","","","0.1505","0.1676","","","","","","1.014","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567870","15.6535","0.0012","12.8229","0.0009","17.9202","0.0015","90","","100.381","0.004","90","","3538.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 N O Ru S2 -","- C36 H45 Cl2 N O Ru S2 -","- C144 H180 Cl8 N4 O4 Ru4 S8 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1636","0.1108","","","0.2393","0.277","","","","","","1.052","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567871","8.7486","0.0006","19.3141","0.0012","43.739","0.003","90","","90","","90","","7390.6","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 Cl2 N2 O3 Ru -","- C35 H44 Cl2 N2 O3 Ru -","- C280 H352 Cl16 N16 O24 Ru8 -","8","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1072","0.0768","","","0.1562","0.1668","","","","","","1.039","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567872","17.3665","0.0011","11.5707","0.0006","17.4342","0.0011","90","","115.407","0.002","90","","3164.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C33 H40 Cl2 N2 O3 Ru -","- C33 H40 Cl2 N2 O3 Ru -","- C132 H160 Cl8 N8 O12 Ru4 -","4","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0335","0.0275","","","0.0545","0.0567","","","","","","1.042","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567907","15.9809","0.0005","8.5994","0.0003","15.5441","0.0005","90","","102.998","0.001","90","","2081.43","0.12","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br2 N3 Ni -","- C21 H19 Br2 N3 Ni -","- C84 H76 Br8 N12 Ni4 -","4","0.5","","Norouziyanlakvan, Somayeh; Ferguson, Jonathan; Richeson, Darrin","Electrocatalytic hydrogen production from neutral water using an aqueous Ni(ii) pincer complex","Catalysis Science & Technology","2022","12","24","7494","7500","10.1039/D2CY01504H","","","0.71073","MoKα","","0.0284","0.0244","","","0.0616","0.065","","","","","","1.105","","","","has coordinates","280156","2023-01-06","09:26:23",""
"1567995","10.862","0.002","19.566","0.004","12.2","0.002","90","","111.654","0.01","90","","2409.8","0.8","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","compound [RhCl(L1)(P(Ad)2(n-Bu))]","","- C45 H61 Cl4 N O3 P Rh -","- C45 H61 Cl4 N O3 P Rh -","- C90 H122 Cl8 N2 O6 P2 Rh2 -","2","1","","Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael","Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules","Catalysis Science & Technology","2023","13","2","410","425","10.1039/D2CY01578A","","","0.71073","MoKα","","0.0575","0.0457","","","0.1091","0.1155","","","","","","1.041","","","","has coordinates,has disorder","281310","2023-03-04","17:35:18",""
"1568329","8.1655","0.0001","10.6042","0.0001","14.4716","0.0001","90","","102.495","0.001","90","","1223.4","0.02","249.97","0.1","249.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Br N -","- C12 H18 Br N -","- C48 H72 Br4 N4 -","4","1","","Stroek, Wowa; Hoareau, Lilian; Albrecht, Martin","From the bottle: simple iron salts for the efficient synthesis of pyrrolidines <i>via</i> catalytic C-H bond amination.","Catalysis science & technology","2023","13","4","958","962","10.1039/d2cy02065c","","x-ray","1.54184","CuKα","","0.0428","0.0425","","","0.109","0.1092","","","","","","1.077","","","","has coordinates","281309","2023-03-04","17:35:09",""
"1568382","13.6976","0.0006","23.8148","0.0012","20.2227","0.0008","90","","98.742","0.002","90","","6520.1","0.5","117","2","117","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 B F24 Fe N3 O2 P2 -","- C60 H63 B F24 Fe N3 O2 P2 -","- C240 H252 B4 F96 Fe4 N12 O8 P8 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.1019","0.0828","","","0.1636","0.1725","","","","","","1.112","","","","has coordinates,has disorder","282244","2023-04-04","09:28:05",""
"1568383","12.158","0.001","17.5241","0.0008","19.0088","0.0015","90","","90","","90","","4050","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 K N O4 P2 Ru -","- C36 H68 K N O4 P2 Ru -","- C144 H272 K4 N4 O16 P8 Ru4 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.0669","0.0449","","","0.0849","0.0924","","","","","","1.132","","","","has coordinates,has disorder","282244","2023-04-04","09:28:13",""
"1568404","20.6469","0.0002","23.6627","0.0003","24.8965","0.0003","64.38","0.001","69.27","0.001","68.88","0.001","9942.9","0.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","FePcNFePpcI3","","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C370 H242 Cl78 Fe8 I12 N60 -","5","2.5","","Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Phung, Quan Manh; Oyama, Kin-ichi; Tanaka, Kentaro","Evaluation of CH4 oxidation activity of high-valent iron-oxo species of a μ-nitrido-bridged heterodimer of iron porphycene and iron phthalocyanine","Catalysis Science & Technology","2023","13","6","1725","1734","10.1039/D2CY01980A","","x-ray","0.71073","MoKα","","0.1465","0.1207","","","0.3236","0.3581","","","","","","1.1096","","","","has coordinates,has disorder","282246","2023-04-04","09:30:28",""
"1568560","14.031","0.006","14.473","0.006","19.564","0.007","90","","90","","90","","3973","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 I N3 O5 Ru -","- C16 H24 I N3 O5 Ru -","- C128 H192 I8 N24 O40 Ru8 -","8","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0366","0.0339","","","0.0588","0.0595","","","","","","1.323","","","","has coordinates","282243","2023-04-04","09:26:22",""
"1568561","10.1596","0.0007","11.7047","0.0008","16.363","0.0011","90","","90","","90","","1945.8","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H28 Cl N3 O6 Ru -","- C16 H28 Cl N3 O6 Ru -","- C64 H112 Cl4 N12 O24 Ru4 -","4","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0247","0.0239","","","0.0525","0.0528","","","","","","1.142","","","","has coordinates","282243","2023-04-04","09:26:41",""
"1568562","15.4589","0.001","13.1592","0.0008","17.7332","0.0011","90","","98.356","0.002","90","","3569.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl N2 O3.5 Ru -","- C16 H28 Cl N2 O3.5 Ru -","- C128 H224 Cl8 N16 O28 Ru8 -","8","2","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0238","0.0195","","","0.0455","0.0468","","","","","","1.078","","","","has coordinates","282243","2023-04-04","09:26:50",""
"1568626","41.7016","0.0013","15.1215","0.0005","19.8592","0.0005","90","","90","","90","","12523","0.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H20 Co O5 P2 -","- C27 H20 Co O5 P2 -","- C432 H320 Co16 O80 P32 -","16","1","","Huang, Weiheng; Jackstell, Ralf; Spannenberg, Anke; Beller, Matthias","An improved cobalt-catalysed alkoxycarbonylation of olefins using secondary phosphine oxide promotors","Catalysis Science & Technology","2023","13","8","2475","2479","10.1039/D3CY00066D","","","1.54178","CuKα","","0.0551","0.0502","","","0.1279","0.1317","","","","","","1.018","","","","has coordinates,has disorder","283006","2023-05-04","23:54:29",""
"1568705","19.3515","0.0014","10.4522","0.0008","11.307","0.0009","90","","90","","90","","2287","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H18 Cl4 N4 Ni O2 -","- C21 H18 Cl4 N4 Ni O2 -","- C84 H72 Cl16 N16 Ni4 O8 -","4","1","","Bansal, Sadhna; Gonnade, Rajesh G.; Punji, Benudhar","Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst","Catalysis Science & Technology","2023","13","9","2705","2713","10.1039/D3CY00090G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0575","0.061","","","","","","1.071","","","","has coordinates","284161","2023-06-05","03:21:05",""
"1568723","6.4445","0.0015","11.458","0.003","13.656","0.003","80.205","0.007","85.649","0.007","82.844","0.007","984.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C36 H54 B2 N4 O8 S2 -","2","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.1182","0.0892","","","0.2382","0.2708","","","","","","1.022","","","","has coordinates,has disorder","295953","2024-11-15","23:36:26",""
"1568724","12.029","0.003","14.49","0.004","11.877","0.003","90","","95.143","0.007","90","","2061.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C72 H108 B4 N8 O16 S4 -","4","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.117","0.0875","","","0.2466","0.2773","","","","","","1.041","","","","has coordinates,has disorder","295953","2024-11-15","23:36:26",""
"1568765","12.8925","0.0004","7.8461","0.0002","15.2747","0.0005","90","","100.851","0.003","90","","1517.5","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 4-phenyl-2-(pyrrolidin-1-yl)thiophene-3-carboxylate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.041","0.0369","","","0.098","0.1026","","","","","","1.06","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568766","8.8717","0.0004","8.9788","0.0004","10.5747","0.0004","100.966","0.004","100.107","0.004","93.879","0.004","809.68","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","ethyl 5-(4-nitrophenyl)-3-phenylisothiazole-4-carboxylate","","- C9 H7 N O2 S0.5 -","- C9 H7 N O2 S0.5 -","- C36 H28 N4 O8 S2 -","4","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.0482","0.0386","","","0.0845","0.0905","","","","","","1.071","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568767","11.0494","0.0002","10.37004","0.00019","26.5033","0.0005","90","","100.257","0.0019","90","","2988.28","0.1","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 3-phenyl-5-(pyrrolidin-1-yl)isothiazole-4-carboxylate","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C128 H144 N16 O16 S8 -","8","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.1463","0.0927","","","0.1795","0.1954","","","","","","1.174","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568768","9.7409","0.0001","7.7066","0.0001","21.1913","0.0002","90","","91.38","0.001","90","","1590.35","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-(cyclopentanecarbonothioyl)-3-phenylbutanoate","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.1184","0.1224","","","","","","1.0802","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568826","19.3447","0.0015","19.3447","0.0015","10.3928","0.001","90","","90","","90","","3889.2","0.6","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H17 Li O2 -","- C8 H17 Li O2 -","- C128 H272 Li16 O32 -","16","1","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0649","0.0511","","","0.1476","0.1601","","","","","","1.033","","","","has coordinates,has disorder","284160","2023-06-05","03:20:35",""
"1568827","8.1843","0.0017","11.066","0.003","13.037","0.003","113.372","0.007","102.438","0.007","98.398","0.008","1022.5","0.4","100","","100","","","","","","","","THF","5","P -1","-P 1","2","","","","- C8 H17 Li O S -","- C8 H17 Li O S -","- C32 H68 Li4 O4 S4 -","4","2","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0772","0.0535","","","0.1133","0.1221","","","","","","1.062","","","","has coordinates,has disorder","284160","2023-06-05","03:20:39",""
"1568859","9.848","0.0004","11.6412","0.0005","14.0807","0.0006","71.591","0.004","74.372","0.004","75.139","0.004","1448.83","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 N3 O P Pd S -","- C32 H26 N3 O P Pd S -","- C64 H52 N6 O2 P2 Pd2 S2 -","2","1","","Clinton, Savarimuthu Selvan; Ramesh, Rengan; Malecki, Jan Grzegorz","Orthometallated Pd(ii) C^N^S pincer complex catalyzed sustainable synthesis of bis(indolyl)methanes via acceptorless dehydrogenative coupling of alcohols","Catalysis Science & Technology","2023","13","11","3358","3365","10.1039/D3CY00333G","","x-ray","0.71073","MoKα","","0.0653","0.0387","","","0.0761","0.0887","","","","","","1.044","","","","has coordinates","284827","2023-07-05","08:25:09",""
"1568889","9.374","0.002","8.2061","0.0018","10.172","0.002","90","","90.621","0.01","90","","782.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N4 O4 Zn -","- C12 H18 N4 O4 Zn -","- C24 H36 N8 O8 Zn2 -","2","1","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions","Catalysis Science & Technology","2023","13","11","3344","3350","10.1039/D3CY00401E","","","1.54178","CuKα","","0.0362","0.0346","","","0.0951","0.1005","","","","","","1.238","","","","has coordinates","284828","2023-07-05","08:26:03",""
"1569186","8.874","0.017","16.683","0.012","16.979","0.012","118.128","0.004","102.945","0.004","94.354","0.006","2112","5","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C92 H74 Br4 Cl4 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0876","0.0666","","","0.186","0.1993","","","","","","1.031","","","","has coordinates,has disorder","284830","2023-07-05","08:28:05",""
"1569187","8.889","0.0018","14.156","0.003","16.604","0.003","99.93","0.003","100.826","0.003","95.15","0.003","2005.2","0.7","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H41 N Ni O P2 S2 -","- C47 H41 N Ni O P2 S2 -","- C94 H82 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0462","0.036","","","0.0871","0.0941","","","","","","1.037","","","","has coordinates","284830","2023-07-05","08:28:31",""
"1569189","9.9901","0.0002","9.9901","0.0002","15.6499","0.0004","90","","90","","90","","1561.89","0.06","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C9 H21 Br3 N4 -","- C9 H21 Br3 N4 -","- C36 H84 Br12 N16 -","4","0.5","","Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F.","Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts","Catalysis Science & Technology","2023","13","11","3245","3257","10.1039/D3CY00270E","","x-ray","0.71073","MoKα","","0.0551","0.036","","","0.0514","0.0556","","","","","","1.06","","","","has coordinates","284829","2023-07-05","08:27:18",""
"1569260","10.7816","0.0003","16.045","0.0005","21.2485","0.0007","90","","100.265","0.003","90","","3617","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl5 N O Ru -","- C36 H46 Cl5 N O Ru -","- C144 H184 Cl20 N4 O4 Ru4 -","4","1","","Sytniczuk, Adrian; Struzik, Filip; Purohit, Vishal; Grela, Karol; Kajetanowicz, Anna","Aza-Claisen rearrangement as a key step in synthesis of specialised anilines used in the production of efficient ethenolysis catalysts","Catalysis Science & Technology","2023","13","12","3682","3688","10.1039/D3CY00395G","","x-ray","0.71073","MoKα","","0.037","0.03","","","0.0688","0.0736","","","","","","1.058","","","","has coordinates","284831","2023-07-05","08:29:43",""
"1569261","10.7492","0.0009","21.4852","0.0019","8.9772","0.0006","90","","94.765","0.003","90","","2066.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 N3 O2 -","- C20 H21 Br2 N3 O2 -","- C80 H84 Br8 N12 O8 -","4","1","","Zhang, Xiao; Bai, Fan; Li, Miaomiao; Ru, Huihui; Wang, Lanzhi","NiFe2O4@SiO2@PrNH2–DPA–CeCl3: a cerium-based magnetic nano dual-acid catalyst with high efficacy and recyclability for domino sequential synthesis of lactam ring-fused 1,5-benzodiazepines","Catalysis Science & Technology","2023","13","13","3987","3999","10.1039/D2CY01778D","","","0.71073","MoKα","","0.1239","0.0675","","","0.1806","0.2001","","","","","","1.056","","","","has coordinates","285460","2023-08-05","08:33:40",""
"1569288","5.8966","0.0005","14.2652","0.0011","7.4117","0.0006","90","","98.338","0.002","90","","616.85","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","2","","Xu, Xuexia; Yang, Qin; Wang, Lanteng; Zheng, Jie; Gu, Yang; Xing, Xiwen; Zhou, Jiahai","Enzymatic hydrolysis of l-azetidine-2-carboxylate ring opening","Catalysis Science & Technology","2023","13","13","3953","3962","10.1039/D3CY00366C","","","1.54178","CuKα","","0.0338","0.0337","","","0.0841","0.0842","","","","","","1.116","","","","has coordinates","284826","2023-07-05","08:24:39",""
"1569289","12.4705","0.0002","14.3086","0.0003","17.1528","0.0003","103.775","0.002","95.912","0.002","101.539","0.002","2875.84","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 Au2 N6 O -","- C62 H62 Au2 N6 -","- C124 H124 Au4 N12 -","2","1","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","1.54184","CuKα","","0.0574","0.0391","","","0.0823","0.0892","","","","","","1.008","","","","has coordinates","285461","2023-08-05","08:34:02",""
"1569290","27.2565","0.0003","17.0998","0.0002","52.008","0.0006","90","","101.377","0.001","90","","23763.6","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","XM487-2","","- C56 H50 Au2 N6 -","- C56 H50 Au2 N6 -","- C1120 H1000 Au40 N120 -","20","2.5","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","0.71073","MoKα","","0.0842","0.0583","","","0.0932","0.1014","","","","","","1.031","","","","has coordinates","285461","2023-08-05","08:34:02",""
"1569291","15.201","0.0018","9.7668","0.0012","13.4419","0.0016","90","","90","","90","","1995.7","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dibutyldibut-3-enylammonium hexafluorophosphate","","- C16 H32 F6 N P -","- C16 H32 F6 N P -","- C64 H128 F24 N4 P4 -","4","0.5","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.1111","0.0867","","","0.2361","0.2583","","","","","","1.055","","","","has coordinates,has disorder","284825","2023-07-05","08:24:15",""
"1569292","9.4663","0.0013","13.2301","0.0018","14.178","0.002","90","","93.998","0.002","90","","1771.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibutyldiallylammonium hexafluorophosphate","","- C14 H28 F6 N P -","- C14 H28 F6 N P -","- C56 H112 F24 N4 P4 -","4","1","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.0417","0.0331","","","0.0844","0.089","","","","","","1.045","","","","has coordinates","284825","2023-07-05","08:24:16",""
"1569484","10.2913","0.0002","16.4105","0.0003","13.1029","0.0003","90","","92.4886","0.0018","90","","2210.8","0.08","178","","178","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Cu N3 O4 S -","- C18 H39 Cu N3 O4 S -","- C72 H156 Cu4 N12 O16 S4 -","4","1","","Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki","Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol","Catalysis Science & Technology","2023","13","17","4968","4977","10.1039/D3CY00170A","","","0.71073","MoKα","","0.0256","0.0236","","","0.0672","0.068","","","","","","1.086","","","","has coordinates","286023","2023-09-05","18:45:56",""
"1569485","10.9907","0.0008","10.9907","0.0008","23.1929","0.0016","90","","90","","120","","2426.3","0.3","178","","178","","","","","","","","","7","P -3","-P 3","147","","","","- C18 H10 Cl Cu F6 N3 P -","- C19.5 H42 Cl Cu F6 N3 P -","- C78 H168 Cl4 Cu4 F24 N12 P4 -","4","0.666667","","Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki","Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol","Catalysis Science & Technology","2023","13","17","4968","4977","10.1039/D3CY00170A","","","0.71073","MoKα","","0.1336","0.1213","","","0.3052","0.3133","","","","","","1.048","","","","has coordinates","286023","2023-09-05","18:45:57",""
"1569547","18.9076","0.0003","11.49805","0.00018","14.5081","0.0002","90","","100.559","0.0015","90","","3100.66","0.08","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 N4 O3 Ru S -","- C32 H31 F3 N4 O3 Ru S -","- C128 H124 F12 N16 O12 Ru4 S4 -","4","1","","Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin","Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex","Catalysis Science & Technology","2023","13","19","5625","5631","10.1039/D3CY00512G","","x-ray","1.54184","CuKα","","0.0818","0.0766","","","0.2636","0.2785","","","","","","1.203","","","","has coordinates,has disorder","286693","2023-10-05","23:25:22",""
"1569548","20.26618","0.00017","10.02851","0.00008","20.44489","0.00017","90","","101.764","0.0009","90","","4067.94","0.06","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl2 F12 N4 P2 Ru -","- C32 H34 Cl2 F12 N4 P2 Ru -","- C128 H136 Cl8 F48 N16 P8 Ru4 -","4","1","","Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin","Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex","Catalysis Science & Technology","2023","13","19","5625","5631","10.1039/D3CY00512G","","x-ray","0.71073","MoKα","","0.0397","0.0334","","","0.0836","0.0874","","","","","","1.036","","","","has coordinates,has disorder","286693","2023-10-05","23:25:22",""
"1569579","9.8807","0.0002","19.9006","0.0004","20.5724","0.0004","91.843","0.001","101.967","0.001","101.976","0.001","3859.18","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H78 Au Cl3 N2 -","- C102 H78 Au Cl3 N2 -","- C204 H156 Au2 Cl6 N4 -","2","1","","Rahman, Md. Mahbubur; Gao, Pengcheng; Zhao, Qun; Lalancette, Roger; Szostak, Roman; Szostak, Michal","[Au(Np#)Cl]: highly reactive and broadly applicable Au(i)–NHC catalysts for alkyne π-activation reactions","Catalysis Science & Technology","2023","13","17","5131","5139","10.1039/D3CY00717K","","","1.54178","CuKα","","0.0224","0.0218","","","0.0527","0.0533","","","","","","1.06","","","","has coordinates","286021","2023-09-05","18:45:34",""
"1569584","8.2561","0.0002","40.9906","0.0009","12.059","0.0003","90","","109.088","0.003","90","","3856.65","0.17","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 Cl Ir O6 P2 -","- C38 H51 Cl Ir O6 P2 -","- C152 H204 Cl4 Ir4 O24 P8 -","4","1","","Chakrabarti, Kaushik; Spangenberg, Alice; Subramaniyan, Vasudevan; Hederstedt, Andreas; Abdelaziz, Omar Y.; Polukeev, Alexey V.; Wallenberg, Reine; Hulteberg, Christian P.; Wendt, Ola F.","Acceptorless dehydrogenation of 4-methylpiperidine by supported pincer-ligated iridium catalysts in continuous flow","Catalysis Science & Technology","2023","13","17","5113","5119","10.1039/D3CY00881A","","x-ray","0.71073","MoKα","","0.0782","0.0622","","","0.0988","0.103","","","","","","1.296","","","","has coordinates,has disorder","286022","2023-09-05","18:45:43",""
"1569594","10.9864","0.0004","12.8237","0.0004","15.4669","0.0005","90","0.003","90.946","0.003","90","0.003","2178.78","0.13","298","90","298","90","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br2 Cu N2 S -","- C21 H20 Br2 Cu N2 S -","- C84 H80 Br8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","x-ray","0.71073","MoKα","","0.0533","0.0305","","","0.0593","0.07","","","","","","1.046","","","","has coordinates","286694","2023-10-05","23:25:33",""
"1569595","11.7434","0.001","13.1713","0.0007","12.2852","0.0009","90","","112.638","0.009","90","","1753.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br2 Cu N3 O -","- C16 H15 Br2 Cu N3 O -","- C64 H60 Br8 Cu4 N12 O4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","x-ray","0.71073","MoKα","","0.048","0.0331","","","0.1036","0.1135","","","","","","0.845","","","","has coordinates","286694","2023-10-05","23:25:34",""
"1569596","16.8022","0.0001","9.4781","0.0001","13.723","0.0001","90","","94.977","0.001","90","","2177.19","0.03","100","0.1","100","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br2 Cu N2 S -","- C21 H22 Br2 Cu N2 S -","- C84 H88 Br8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","","1.54184","CuKα","","0.0252","0.025","","","0.0638","0.064","","","","","","1.123","","","","has coordinates","286694","2023-10-05","23:25:34",""
"1569606","12.8402","0.0002","19.2826","0.0003","25.7915","0.0003","90","","101.171","0.001","90","","6264.79","0.16","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C67 H56 Cu F6 N2 O3 P3 -","- C67 H56 Cu F6 N2 O3 P3 -","- C268 H224 Cu4 F24 N8 O12 P12 -","4","1","","Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael","Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes","Catalysis Science & Technology","2023","13","14","4092","4106","10.1039/D3CY00132F","","x-ray","1.54184","CuKα","","0.0425","0.0374","","","0.0944","0.0972","","","","","","1.039","","","","has coordinates,has disorder","285436","2023-08-03","21:01:52",""
"1569607","9.7521","0.0001","15.5514","0.0002","16.6886","0.0003","94.049","0.001","99.373","0.001","100.684","0.001","2440.59","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H49 Cl4 Cu F6 N2 O P3 -","- C48 H49 Cl4 Cu F6 N2 O P3 -","- C96 H98 Cl8 Cu2 F12 N4 O2 P6 -","2","1","","Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael","Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes","Catalysis Science & Technology","2023","13","14","4092","4106","10.1039/D3CY00132F","","x-ray","1.54184","CuKα","","0.0479","0.0463","","","0.1255","0.1268","","","","","","1.037","","","","has coordinates,has disorder","285436","2023-08-03","21:01:53",""
"1569617","26.2487","0.0004","26.2487","0.0004","26.2487","0.0004","90","","90","","90","","18085.2","0.5","106","9","106","9","","","","","","","","8","F 2 3","F 2 2 3","196","","","","- C92 H108 Cu12 Mo10 N5 O116 P V2 -","- C91.9984 H107.994 Cu12 Mo9.9996 N4.9996 O116.001 P V2.0004 -","- C367.994 H431.976 Cu48 Mo39.9984 N19.9984 O464.003 P4 V8.0016 -","4","0.0833333","","Lu, Xinlin; Cheng, Ting; Geletii, Yurii V.; Bacsa, John; Hill, Craig L.","Reactivity and stability synergism directed by the electron transfer between polyoxometalates and metal–organic frameworks","Catalysis Science & Technology","2023","13","17","5094","5103","10.1039/D3CY00569K","","x-ray","1.54184","CuKα","","0.0619","0.0552","","","0.1605","0.1682","","","","","","1.074","","","","has coordinates,has disorder","286020","2023-09-05","18:45:22",""
"1569680","9.8933","0.0006","17.588","0.0009","18.9275","0.0012","90","","91.121","0.002","90","","3292.8","0.3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 N O3 P2 Ru -","- C39 H39 N O3 P2 Ru -","- C156 H156 N4 O12 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0218","0.0204","","","0.0509","0.0519","","","","","","1.05","","","","has coordinates","286695","2023-10-05","23:25:46",""
"1569681","9.845","0.002","17.644","0.004","19.132","0.004","90","","90.757","0.007","90","","3323","1.2","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O2 P2 Ru -","- C39 H38 N2 O2 P2 Ru -","- C156 H152 N8 O8 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0514","0.0402","","","0.0942","0.1008","","","","","","1.06","","","","has coordinates","286695","2023-10-05","23:25:47",""
"1569682","9.8638","0.001","17.891","0.002","19.013","0.002","90","","90.761","0.004","90","","3355","0.6","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 N O2 P2 Ru -","- C41 H39 N O2 P2 Ru -","- C164 H156 N4 O8 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.032","0.0273","","","0.0676","0.0704","","","","","","1.041","","","","has coordinates","286695","2023-10-05","23:25:47",""
"1569683","29.656","0.005","9.775","0.0017","25.141","0.004","90","","106.902","0.005","90","","6973","2","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N O2 P2 Ru -","- C43 H39 N O2 P2 Ru -","- C344 H312 N8 O16 P16 Ru8 -","8","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0571","0.0501","","","0.0926","0.0955","","","","","","1.214","","","","has coordinates,has disorder","286695","2023-10-05","23:25:47",""
"1569735","9.7458","0.0009","15.2404","0.0014","15.8334","0.0014","90","","91.303","0.006","90","","2351.1","0.4","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H33 Cl2 Cu N5 O8 -","- C14 H33 Cl2 Cu N5 O8 -","- C56 H132 Cl8 Cu4 N20 O32 -","4","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0821","0.0701","","","0.1947","0.208","","","","","","0.925","","","","has coordinates","287288","2023-11-06","06:16:41",""
"1569736","10.2096","0.0011","9.5739","0.001","12.8306","0.0011","90","","106.747","0.007","90","","1200.9","0.2","115","","115","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 Cu N5 O8 -","- C20 H21 Cl2 Cu N5 O8 -","- C40 H42 Cl4 Cu2 N10 O16 -","2","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0422","0.0369","","","0.0897","0.0919","","","","","","1.042","","","","has coordinates","287288","2023-11-06","06:16:50",""
"1569737","20.0899","0.0017","10.2143","0.001","23.1418","0.0018","90","","101.316","0.007","90","","4656.5","0.7","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 Cl2 Cu N5 O8.5 -","- C18 H25 Cl2 Cu N5 O8.5 -","- C144 H200 Cl16 Cu8 N40 O68 -","8","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.034","0.0316","","","0.0854","0.0893","","","","","","1.085","","","","has coordinates","287288","2023-11-06","06:16:53",""
"1569738","11.4909","0.0012","9.9244","0.0012","21.336","0.002","90","","99.433","0.007","90","","2400.3","0.4","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Cl2 Cu N5 O8 -","- C19 H27 Cl2 Cu N5 O8 -","- C76 H108 Cl8 Cu4 N20 O32 -","4","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.1203","0.1001","","","0.2412","0.2545","","","","","","1.041","","","","has coordinates","287288","2023-11-06","06:17:04",""
"1569739","12.9525","0.0009","13.3361","0.0011","20.9485","0.0014","83.572","0.006","78.793","0.005","66.559","0.005","3254.2","0.4","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H91 B2 Cu N11 -","- C71 H91 B2 Cu N11 -","- C142 H182 B4 Cu2 N22 -","2","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0573","0.0403","","","0.0983","0.1059","","","","","","1.02","","","","has coordinates","287288","2023-11-06","06:17:08",""
"1569884","21.1424","0.0006","46.1033","0.0015","21.8744","0.0007","90","","96.53","0.001","90","","21183.4","1.1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C200 H180 Au28 -","- C200 H180 Au28 -","- C800 H720 Au112 -","4","1","","Tang, Shisi; Liu, Haoqi; Song, Tongxin; Cai, Xiao; Liu, Xu; Ding, Weiping; Zhu, Yan","Aromatic alkyne-protected Au28 nanoclusters for electrocatalytic ethanol oxidation","Catalysis Science & Technology","2023","13","20","5821","5824","10.1039/D3CY00889D","","x-ray","0.71073","MoKα","","0.0822","0.0502","","","0.1216","0.136","","","","","","1.046","","","","has coordinates,has disorder","287287","2023-11-06","06:16:22",""
"1569886","6.158","0.004","10.149","0.007","11.482","0.007","76.503","0.017","79.869","0.018","89.31","0.02","686.6","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","(1R,2R,3R,4R,5R)-trimethyl bicyclo[2.2.2]oct-7-ene-2,3,5-tricarboxylate","","- C14 H18 O6 -","- C14 H18 O6 -","- C28 H36 O12 -","2","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","","0.71073","MoKα","","0.1887","0.1463","","","0.3893","0.4118","","","","","","1.163","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569887","18.177","0.004","7.3979","0.0015","13.815","0.003","90","","102.03","0.03","90","","1816.9","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl2 Fe N6 -","- C12 H28 Cl2 Fe N6 -","- C48 H112 Cl8 Fe4 N24 -","4","0.5","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0393","0.0239","","","0.0532","0.0549","","","","","","0.938","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569888","8.7832","0.0018","11.895","0.002","15.221","0.003","90","","90","","90","","1590.2","0.5","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 Fe N4 -","- C12 H20 Cl2 Fe N4 -","- C48 H80 Cl8 Fe4 N16 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","1.54186","CuKα","","0.0376","0.037","","","0.1016","0.102","","","","","","1.074","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569889","9.3007","0.0019","9.83","0.002","12.49","0.003","69.47","0.03","87.94","0.03","65.38","0.03","964","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H30 Cl2 Fe N6 -","- C13 H30 Cl2 Fe N6 -","- C26 H60 Cl4 Fe2 N12 -","2","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0417","0.0265","","","0.0634","0.0657","","","","","","0.963","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569890","17.306","0.004","9.454","0.0019","36.444","0.011","90","","97.32","0.03","90","","5914","3","100","2","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H24 Cl2 Fe N6 -","- C16 H24 Cl2 Fe N6 -","- C192 H288 Cl24 Fe12 N72 -","12","1.5","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0872","0.0648","","","0.18","0.1933","","","","","","1.025","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569891","12.769","0.003","13.649","0.003","15.343","0.003","90","","90","","90","","2674","1","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl2 Fe N8 -","- C22 H36 Cl2 Fe N8 -","- C88 H144 Cl8 Fe4 N32 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0719","0.0454","","","0.0886","0.0931","","","","","","0.933","","","","has coordinates,has disorder","287289","2023-11-06","06:17:25",""
"1569892","15.712","0.003","9.29","0.0019","16.52","0.003","90","","116.37","0.03","90","","2160.4","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 Fe N6 -","- C20 H26 Cl2 Fe N6 -","- C80 H104 Cl8 Fe4 N24 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0508","0.0359","","","0.0891","0.094","","","","","","1.057","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569893","12.011","0.002","10.508","0.002","16.725","0.003","90","","106.09","0.03","90","","2028.2","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 Fe N6 -","- C16 H28 Cl2 Fe N6 -","- C64 H112 Cl8 Fe4 N24 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0363","0.0303","","","0.0669","0.0704","","","","","","1.111","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1570011","14.056499","0.000014","14.319201","0.000014","17.2059","0.000017","90","","95.848","0.003","90","","3445.14","0.019","100","","100","","","","100","","","","synthesis","7","I 1 a 1","I -2ya","9","meta-CF3 Pd(II) catalyst bistriflimide","2-(5-(trifluoromethyl)pyridin-2-yl)benzo[d]oxazole palladium(II)bis(bistriflimide)bis(acetonitrile)","","- C21 H13 F15 N6 O9 Pd S4 -","- C21 H13 F15 N6 O9 Pd S4 -","- C84 H52 F60 N24 O36 Pd4 S16 -","4","1","","Blair, Matthew N.; Murray-Williams, Meadhbh; Maguire, Calum; Brown, Clare L.; Cao, Qun; Chai, Hongxin; Li, Yitong; O'Hagan, Róisín L.; Dingwall, Paul; Manesiotis, Panagiotis; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich; Knipe, Peter C.; Muldoon, Mark J.","Enhancing the performance for palladium catalysed tert-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes","Catalysis Science & Technology","2023","13","21","6224","6232","10.1039/D3CY01046E","","","0.71073","MoKα","","0.0561","0.0543","","0.132","0.1304","0.132","","","","","","1.0254","","","","has coordinates","287290","2023-11-06","06:17:44",""
"1570094","17.915","0.0008","22.4618","0.0009","25.0531","0.0008","90","","90","","90","","10081.4","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C47.25 H43.5 Cl2.5 F10 Ir N4 O4 -","- C47.262 H43.527 Cl2.5 F10 Ir N4 O4 -","- C378.096 H348.216 Cl20 F80 Ir8 N32 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.0918","0.0477","","","0.1185","0.1493","","","","","","1.066","","","","has coordinates,has disorder","289310","2024-02-04","10:57:35",""
"1570095","25.7551","0.0005","19.7204","0.0004","22.789","0.0004","90","","90","","90","","11574.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H52 F10 Ir N5 O4 -","- C52.5 H52 F10 Ir N5 O4 -","- C420 H416 F80 Ir8 N40 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.1087","0.0851","","","0.23","0.2591","","","","","","1.115","","","","has coordinates,has disorder","289310","2024-02-04","10:57:36",""
"1570285","13.5479","0.0011","22.1691","0.001","23.429","0.002","90","","131.809","0.014","90","","5245","1.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","aks-sn-4-265","","- C61 H53 Cl2 N5 O2 P2 Ru -","- C61 H53 Cl2 N5 O2 P2 Ru -","- C244 H212 Cl8 N20 O8 P8 Ru4 -","4","1","","Nath, Shambhu; Yadav, Ekta; Raghuvanshi, Abhinav; Singh, Amrendra K.","Mechanistic insights and comparative analysis of Ru(ii)–NNC pincer complexes with anionic-, protic-, and classical-NHCs for transfer hydrogenation of ketones","Catalysis Science & Technology","2023","13","24","7085","7099","10.1039/D3CY01383A","","x-ray","1.54184","CuKα","","0.1479","0.096","","","0.2217","0.2727","","","","","","1.116","","","","has coordinates","288719","2024-01-06","06:48:57",""
"1570363","7.948","0.002","8.256","0.002","10.775","0.003","75.188","0.008","78.772","0.008","73.732","0.008","650.4","0.3","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Cobaltbromide_Pyridine3_methylpyrazole","","- C10 H11 Br2 Co N3 -","- C10 H11 Br2 Co N3 -","- C20 H22 Br4 Co2 N6 -","2","1","","Kumar, Rohit; Srivastava, Ankit Kumar; Nagarasu, Palaniyappan; Madhu, Vedichi; Balaraman, Ekambaram","A general and expedient amination of alcohols catalysed by a single-site (NN)Co(ii)-bidentate complex under solventless conditions","Catalysis Science & Technology","2024","14","1","98","109","10.1039/D3CY00809F","","","0.71073","MoKα","","0.0249","0.024","","","0.0579","0.0588","","","","","","1.075","","","","has coordinates","289311","2024-02-04","10:57:44",""
"1570378","9.5291","0.0002","22.9164","0.0005","9.87","0.0002","90","","102.612","0.002","90","","2103.33","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cu4 I4 N8 -","- C36 H40 Cu4 I4 N8 -","- C72 H80 Cu8 I8 N16 -","2","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0356","0.032","","","0.0765","0.0791","","","","","","1.02","","","","has coordinates","288718","2024-01-06","06:48:46",""
"1570379","20.0759","0.0002","16.97565","0.00017","14.15214","0.00016","90","","90","","90","","4823.07","0.09","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C43 H48 Cu4 I4 N8 -","- C43 H48 Cu4 I4 N8 -","- C172 H192 Cu16 I16 N32 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0294","0.0261","","","0.064","0.0662","","","","","","1.027","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570380","9.6197","0.0005","14.6022","0.0006","15.2132","0.0008","116.031","0.005","98.314","0.004","100.323","0.004","1827.89","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Cu4 F4 N8 -","- C36 H40 Cu4 F4 N8 -","- C72 H80 Cu8 F8 N16 -","2","1","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0641","0.0341","","","0.0771","0.0803","","","","","","0.858","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570381","15.1457","0.0004","8.88279","0.00016","14.4845","0.0004","90","","110.461","0.003","90","","1825.75","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br Cu N4 -","- C18 H20 Br Cu N4 -","- C72 H80 Br4 Cu4 N16 -","4","1","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0339","0.0288","","","0.0693","0.0726","","","","","","1.039","","","","has coordinates","288718","2024-01-06","06:48:47",""
"1570382","10.4396","0.0005","13.5659","0.001","14.4025","0.0011","74.007","0.007","89.553","0.005","79.913","0.005","1928.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl2 Cu2 N4 -","- C18 H20 Cl2 Cu2 N4 -","- C72 H80 Cl8 Cu8 N16 -","4","2","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0578","0.0329","","","0.062","0.0652","","","","","","0.863","","","","has coordinates","288718","2024-01-06","06:48:47",""
"1570383","17.3777","0.0006","14.539","0.0005","10.7488","0.0004","90","","90","","90","","2715.73","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H28 Cu2 F2 N6 -","- C30 H28 Cu2 F2 N6 -","- C120 H112 Cu8 F8 N24 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0577","0.0412","","","0.0961","0.105","","","","","","1.06","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570384","6.95","0.0004","9.8071","0.0006","11.6221","0.0005","90.667","0.004","105.074","0.004","107.794","0.005","724.72","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F4 O3 S -","- C15 H12 F4 O3 S -","- C30 H24 F8 O6 S2 -","2","1","","Mathuri, Ashis; Pal, Buddhadeb; Pramanik, Milan; Manna, Anupam; Mal, Prasenjit","Enhancing the photocatalytic efficiency and stability of CsPbBr3 nanocrystals for visible-light driven aerobic diaryl thio/seleno etherification","Catalysis Science & Technology","2024","14","1","183","189","10.1039/D3CY01478A","","x-ray","0.71073","MoKα","","0.0356","0.0313","","","0.0803","0.0827","","","","","","0.992","","","","has coordinates","289312","2024-02-04","10:57:51",""
"1570453","6.10213","0.00005","7.30975","0.00006","29.70773","0.00019","92.3183","0.0006","93.944","0.0006","114.298","0.0008","1201.43","0.018","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","1","1","","Zhang, Fan; Wang, Su-Jing; Xiao, Wen; Yu, Ming-Zhu; Sha, Feng; Wu, Ruibo; Xiang, Zheng","Harnessing the catalytic plasticity of the ent-kaurene synthase from Bradyrhizobium japonicum to produce the ent-rosane and ent-pimarane scaffolds","Catalysis Science & Technology","2024","14","2","306","314","10.1039/D3CY00115F","","","1.54184","CuKα","","0.0326","0.0322","","","0.0887","0.0891","","","","","","1.082","","","","has coordinates","289314","2024-02-04","10:58:31",""
"1570630","5.23281","0.00004","11.33461","0.00009","22.611","0.0002","90","","90","","90","","1341.1","0.019","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0286","0.0281","","","0.0721","0.0725","","","","","","1.075","","","","has coordinates","289313","2024-02-04","10:58:23",""
"1570631","5.4042","0.0001","22.6075","0.0004","23.7568","0.0004","90","","95.144","0.002","90","","2890.81","0.09","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0704","0.0601","","","0.1633","0.1738","","","","","","1.131","","","","has coordinates,has disorder","289313","2024-02-04","10:58:23",""
"1570946","13.2667","0.0011","13.8534","0.0012","22.0429","0.0019","90","","93.349","0.002","90","","4044.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N6 O12 Zn -","- C40 H46 N6 O12 Zn -","- C160 H184 N24 O48 Zn4 -","4","0.5","","Khattak, Zafar A. K.; Ahmad, Nazir; Younus, Hussein A.; Ullah, Habib; Yu, Baoyi; Munawar, Khurram S.; Ashfaq, Muhammad; Yaseen, Muhammad; Danish, Muhammad; Al-Abri, Mohammed; AlHajri, Rashid; Verpoort, Francis","Ambient conversion of CO2 and epoxides to cyclic carbonates using 3D amide-functionalized MOFs","Catalysis Science & Technology","2024","14","7","1888","1901","10.1039/D3CY01709E","","","0.71073","MoKα","","0.0487","0.0382","","","0.1027","0.1092","","","","","","1.049","","","","has coordinates","290794","2024-04-04","22:21:04",""
"1570973","26.1891","0.0017","7.1383","0.0004","14.0543","0.0011","90","","120.864","0.004","90","","2255.3","0.3","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Mn0.5 N4 O5 Pb -","- C9 H5 Mn0.5 N4 O5 Pb -","- C72 H40 Mn4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0226","0.0213","","","0.0563","0.0571","","","","","","1.142","","","","has coordinates","290793","2024-04-04","22:20:54",""
"1570974","26.201","0.006","7.1538","0.0017","14.084","0.004","90","","120.846","0.008","90","","2266.4","1","256","","256","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbZn","","- C9 H5 N4 O5 Pb Zn0.5 -","- C9 H5 N4 O5 Pb Zn0.5 -","- C72 H40 N32 O40 Pb8 Zn4 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.026","0.0236","","","0.0548","0.0561","","","","","","1.11","","","","has coordinates","290793","2024-04-04","22:20:55",""
"1570975","26.2822","0.0012","7.2428","0.0002","14.042","0.0006","90","","120.511","0.001","90","","2302.86","0.16","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbCd","","- C9 H5 Cd0.5 N4 O5 Pb -","- C9 H5 Cd0.5 N4 O5 Pb -","- C72 H40 Cd4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0284","0.0267","","","0.0703","0.0719","","","","","","1.091","","","","has coordinates,has disorder","290793","2024-04-04","22:20:55",""
"1571020","11.5184","0.0006","14.6526","0.0007","16.148","0.0009","97.73","0.003","108.931","0.002","98.573","0.003","2500","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","1","0.5","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0833","0.0643","","","0.1854","0.2003","","","","","","1.066","","","","has coordinates","290795","2024-04-04","22:21:21",""
"1571021","10.767","0.0002","12.8036","0.0005","18.9389","0.0008","90","","90","","90","","2610.85","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 B N O2 -","- C14 H20 B N O2 -","- C112 H160 B8 N8 O16 -","8","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0466","0.0392","","","0.0962","0.1011","","","","","","1.045","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571022","9.8725","0.0005","7.3758","0.0004","21.882","0.0012","90","","98.551","0.003","90","","1575.68","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B N2 O2 -","- C16 H25 B N2 O2 -","- C64 H100 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0446","0.0367","","","0.0971","0.1012","","","","","","1.065","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571023","12.5923","0.0008","10.8437","0.0006","14.9151","0.0008","90","","90.37","0.005","90","","2036.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B N2 O2 -","- C20 H33 B N2 O2 -","- C80 H132 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0708","0.0421","","","0.1013","0.1112","","","","","","0.989","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571024","10.1407","0.0004","28.0242","0.0011","12.2214","0.0005","90","","94.627","0.003","90","","3461.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B N O2 -","- C18 H28 B N O2 -","- C144 H224 B8 N8 O16 -","8","2","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0572","0.0396","","","0.0928","0.0993","","","","","","1.049","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571217","4.3844","0.0001","16.88","0.0003","23.4788","0.0004","90","","91.0715","0.0019","90","","1737.33","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F3 N O5 -","- C18.001 H16 F3.0015 N O5.001 -","- C72.004 H64 F12.006 N4 O20.004 -","4","1","","Wang, Yu; Li, Yiwen; Ni, Yeke; Bučar, Dejan-Krešimir; Dalby, Paul A.; Ward, John M.; Jeffries, Jack W. E.; Hailes, Helen C.","A transaminase-mediated aldol reaction and applications in cascades to styryl pyridines.","Catalysis science & technology","2024","14","9","2390","2399","10.1039/d3cy01370g","","x-ray","1.54184","CuKα","","0.0501","0.045","","","0.11","0.1134","","","","","","1.073","","","","has coordinates,has disorder","292757","2024-07-05","12:58:52",""
"1571255","13.4985","0.0008","16.3402","0.0011","8.5914","0.0004","90","","99.883","0.005","90","","1866.87","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1038","0.0518","","","0.0995","0.1182","","","","","","1.039","","","","has coordinates","292758","2024-07-05","12:59:01",""
"1571256","10.7857","0.0016","14.519","0.002","11.7467","0.0018","90","","103.727","0.015","90","","1787","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1052","0.0525","","","0.1102","0.1385","","","","","","0.973","","","","has coordinates","292758","2024-07-05","12:59:02",""
"1571407","10.6039","0.0003","8.8338","0.0002","15.3191","0.0003","90","","92.902","0.002","90","","1433.14","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S)-5-([1,1'-biphenyl]-4-ylmethyl)-3-methylpyrrolidin-2-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","2","","Chen, Long; Qu, Ge; Cai, Zhiqiang; Yuan, Bo; Sun, Zhoutong","Synthesis of a sacubitril precursor via the construction of one-pot chemoenzymatic cascades","Catalysis Science & Technology","2024","14","10","2817","2824","10.1039/D4CY00145A","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.1035","0.1061","","","","","","1.14","","","","has coordinates","292753","2024-07-05","12:57:37",""
"1571418","17.6518","0.0002","9.34996","0.00012","24.7713","0.0003","90","","105.336","0.0014","90","","3942.77","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Mg N4 O -","- C48 H38 Mg N4 O -","- C192 H152 Mg4 N16 O4 -","4","1","","Meher, Sushanta Kumar; Nayak, Prakash; Dhala, Sasmita; Tripathy, Swetapadma; Venkatasubbaiah, Krishnan","Magnesium-porphyrin as an efficient photocatalyst for the transformation of CO2 to cyclic carbonates and oxazolidinones under ambient conditions","Catalysis Science & Technology","2024","14","11","3125","3130","10.1039/D4CY00246F","","x-ray","1.54184","CuKα","","0.0606","0.0546","","","0.1621","0.1685","","","","","","1.0418","","","","has coordinates,has disorder","292759","2024-07-05","12:59:37",""
"1571676","11.3465","0.0002","12.5357","0.0002","13.0549","0.0002","109.944","0.002","101.745","0.001","105.832","0.001","1586.41","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Cr(OSi(tBu)3)2(XyNC)4","","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","1","0.5","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0336","0.0322","","","0.1089","0.1118","","","","","","0.996","","","","has coordinates","292756","2024-07-05","12:58:40",""
"1571677","10.928","0.0004","28.6868","0.001","14.0779","0.0006","90","","110.037","0.005","90","","4146.1","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cr(O(tBu)2C6H3)2(XyNC)2","","- C46 H60 Cr N2 O2 -","- C46 H60 Cr N2 O2 -","- C184 H240 Cr4 N8 O8 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.068","0.0612","","","0.1456","0.1488","","","","","","1.108","","","","has coordinates","292756","2024-07-05","12:58:42",""
"1571678","13.1907","0.0003","20.8362","0.0005","23.4449","0.0006","90","","90","","90","","6443.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cr(OSi(tBu)3)3(XyNC)2","","- C54 H99 Cr N2 O12 Si3 -","- C54 H99 Cr N2 O12 Si3 -","- C216 H396 Cr4 N8 O48 Si12 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0854","0.0835","","","0.1905","0.1915","","","","","","1.104","","","","has coordinates,has disorder","292756","2024-07-05","12:58:42",""
"1571723","16.7116","0.0001","14.0718","0.0001","15.4454","0.0001","90","","96.098","0.001","90","","3611.62","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 F6 Fe Ir N4 P -","- C42 H32 F6 Fe Ir N4 P -","- C168 H128 F24 Fe4 Ir4 N16 P4 -","4","1","","Gayen, Firdaus Rahaman; Chawla, Sakshi; Bora, Debashree; Borkotoky, Lodsna; Gazi, Sarifuddin; Mallick, Dibyendu; Maurya, Ram Awatar; De, Arijit Kumar; Saha, Biswajit","Boosting photocatalytic efficiency of iridium polypyridyl complex in coupling reaction through the induction of ferrocene: insights into bimetallic catalysis","Catalysis Science & Technology","2024","14","13","3618","3628","10.1039/D3CY01418E","","","1.54184","CuKα","","0.0364","0.0338","","","0.0906","0.0925","","","","","","1.049","","","","has coordinates","292754","2024-07-05","12:57:54",""
"1571727","9.2861","0.0003","15.141","0.0005","15.1451","0.0006","118.4","0.001","95.188","0.001","95.18","0.001","1843.74","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Co I2 N2 -","- C16 H23 Co I2 N2 -","- C64 H92 Co4 I8 N8 -","4","2","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","","0.71073","MoKα","","0.0618","0.0382","","","0.1072","0.1362","","","","","","0.83","","","","has coordinates","292755","2024-07-05","12:58:19",""
"1571728","8.202","0.0007","9.8816","0.0009","12.3164","0.0011","89.106","0.002","83.431","0.002","76.17","0.002","962.86","0.15","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","Complex-2","","- C17 H25 Co I2 N2 -","- C17 H25 Co I2 N2 -","- C34 H50 Co2 I4 N4 -","2","1","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","x-ray","0.71073","MoKα","","0.0307","0.0269","","","0.0913","0.1","","","","","","0.7766","","","","has coordinates","292755","2024-07-05","12:58:26",""
"1571885","11.4614","0.0006","12.9693","0.0005","15.9143","0.0006","101.429","0.003","106.498","0.004","92.924","0.004","2208.7","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","Co(II)-RibN2","8","","- C98 H123 Co2 N4 O10 -","- C98 H123 Co2 N4 O10 -","- C98 H123 Co2 N4 O10 -","1","1","","Pandey, Sachchida Nand; Sengupta, Arunava; Bera, Rajib; Ali, Sohel; Yadav, Somnath","A sugar-derived ligand for room temperature aerial oxidation or non-aqueous Markovnikov hydration of styrenes using a preformed or in situ generated Co complex","Catalysis Science & Technology","2024","14","16","4487","4495","10.1039/D4CY00522H","","x-ray","0.71073","MoKα","","0.0499","0.0395","","","0.0893","0.0953","","","","","","1.033","","","","has coordinates","294399","2024-09-05","22:48:40",""
"1572058","9.03","0.02","10.515","0.019","14.25","0.019","103.95","0.11","106.54","0.08","97.14","0.12","1231","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H19 Br Cl6 N2 Pd Sn -","- C14 H19 Br Cl6 N2 Pd Sn -","- C28 H38 Br2 Cl12 N4 Pd2 Sn2 -","2","1","","Nayak, Mukesh Kumar; Maharana, Rajat Rajiv; Mohanty, Anuradha; Samanta, Kousik; Roy, Sujit","Effect of N-heterocyclic carbene in palladium–tin heterobimetallic catalysis: a DFT supported study on the C3–H functionalization of unprotected indoles","Catalysis Science & Technology","2024","14","16","4674","4683","10.1039/D4CY00224E","","","0.71073","MoKα","","0.0899","0.0598","","","0.1652","0.2002","","","","","","1.052","","","","has coordinates","294400","2024-09-05","22:48:53",""
"1572060","19.5712","0.0006","5.9154","0.0001","20.8266","0.0006","90","","115.442","0.004","90","","2177.3","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C108 H120 N8 O4 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.044","0.0367","","","0.0886","0.0926","","","","","","1.025","","","","has coordinates","294398","2024-09-05","22:48:23",""
"1572061","9.5244","0.0005","27.728","0.001","10.4699","0.0005","90","","114.029","0.007","90","","2525.4","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Fe N2 O4 -","- C30 H30 Fe N2 O4 -","- C120 H120 Fe4 N8 O16 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0638","0.0417","","","0.09","0.1007","","","","","","1.046","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572062","11.1925","0.0005","28.2554","0.0008","12.9763","0.0006","90","","113.551","0.006","90","","3761.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.71 H50.77 Fe N3 O3 -","- C41.705 H50.77 Fe N3 O3 -","- C166.82 H203.08 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0916","0.0675","","","0.1425","0.1516","","","","","","1.125","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572063","10.59054","0.00012","15.4277","0.0002","23.2167","0.0003","101.099","0.0012","99.234","0.001","103.291","0.0008","3538.47","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 F6 Fe N2 O4 -","- C38 H40 F6 Fe N2 O4 -","- C152 H160 F24 Fe4 N8 O16 -","4","2","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.1161","0.0855","","","0.231","0.2484","","","","","","1.049","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572064","10.7552","0.0004","11.5325","0.0003","14.6781","0.0006","106.515","0.003","110.781","0.004","94.22","0.003","1600.72","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32.5 F6 Fe N3.5 O3 -","- C33 H31 F6 Fe N3 O3 -","- C66 H62 F12 Fe2 N6 O6 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.0619","0.0606","","","0.1657","0.1675","","","","","","1.054","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572065","18.6211","0.0006","16.9942","0.0004","32.0027","0.0008","90","","90","","90","","10127.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H28 F6 N2 O -","- C29 H28 F6 N2 O -","- C464 H448 F96 N32 O16 -","16","2","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.1081","0.0622","","","0.1503","0.1727","","","","","","1.015","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572066","12.3708","0.0003","12.4378","0.0002","13.3652","0.0003","99.388","0.002","97.45","0.002","109.19","0.002","1878.73","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Cl3 Fe N2 O4 -","- C39 H47 Cl3 Fe N2 O4 -","- C78 H94 Cl6 Fe2 N4 O8 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0859","0.0862","","","","","","1.083","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572067","11.1854","0.0005","12.6987","0.0005","14.8312","0.0007","86.447","0.004","71.724","0.004","71.449","0.004","1894.75","0.16","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Fe N3 O3 -","- C42 H56 Fe N3 O3 -","- C84 H112 Fe2 N6 O6 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.1178","0.0847","","","0.1506","0.1632","","","","","","1.089","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572068","9.9427","0.0002","10.8687","0.0002","16.2473","0.0003","105.165","0.001","92.602","0.001","114.222","0.002","1521.98","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Fe N2 O4 -","- C34 H38 Fe N2 O4 -","- C68 H76 Fe2 N4 O8 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0371","0.0302","","","0.086","0.0885","","","","","","1.057","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572069","11.389","0.0005","28.6159","0.0007","10.6867","0.0005","90","","117.667","0.005","90","","3084.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H37 Fe N3 O3 -","- C34.5 H37 Fe N3 O3 -","- C138 H148 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0724","0.0522","","","0.1229","0.1312","","","","","","1.056","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572070","7.1127","0.0002","14.31","0.0004","21.7165","0.0006","90","","98.189","0.003","90","","2187.83","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Fe N3 O3 -","- C25 H23 Fe N3 O3 -","- C100 H92 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0484","0.0356","","","0.0942","0.0987","","","","","","1.056","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572204","9.529","0.0006","9.7708","0.0006","13.6707","0.0009","93.325","0.002","107.464","0.002","114.272","0.002","1082.49","0.12","203","2","203","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H49 Br2 Cl2 N3 Ni -","- C44 H49 Br2 Cl2 N3 Ni -","- C44 H49 Br2 Cl2 N3 Ni -","1","1","","Norouzinyanlakvan, Somayeh; Ovens, Jeffrey; Richeson, Darrin","Electrocatalytic reduction of nitrite to ammonium ion using Ni(ii) complexes with redox-active di(imino)pyridine ligands","Catalysis Science & Technology","2024","14","18","5422","5429","10.1039/D4CY00715H","","","0.71073","MoKα","","0.0321","0.0296","","","0.0732","0.0749","","","","","","1.031","","","","has coordinates","295087","2024-10-06","04:17:11",""
"1572223","9.7333","0.0001","15.2824","0.0002","16.1184","0.0002","90","","91.158","0.001","90","","2397.09","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C120 H100 N4 O8 S4 -","4","1","","Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles","Catalysis Science & Technology","2024","14","19","5671","5677","10.1039/D4CY00660G","","","1.54184","CuKα","","0.0431","0.0395","","","0.1098","0.1126","","","","","","1.09","","","","has coordinates","295085","2024-10-06","04:15:06",""
"1572224","9.2439","0.0002","14.8214","0.0004","28.8605","0.0007","90","","90","","90","","3954.11","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 N2 O4 S -","- C49 H40 N2 O4 S -","- C196 H160 N8 O16 S4 -","4","1","","Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles","Catalysis Science & Technology","2024","14","19","5671","5677","10.1039/D4CY00660G","","x-ray","1.54184","CuKα","","0.0372","0.0355","","","0.095","0.0959","","","","","","1.073","","","","has coordinates","295085","2024-10-06","04:15:21",""
"1572225","13.71","0.03","8.846","0.019","16.24","0.03","90","","93.51","0.18","90","","1966","7","296","2","296","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C96 H72 O24 -","4","0.5","","Biswas, Subir; Barman, Dipankar; Dutta, Priyanka; Gour, Nand K.; Lee, Seonghwan; Kim, Donguk; Park, Young-Bin; Bora, Tonmoy J.; Devi, Arpita; Khanam, Salma A.; Saikia, Lakshi; Karunakar, Galla V.; Zaki, Magdi E. A.; Bania, Kusum K.","Ru-nanoparticles supported on zeolite-Y for ortho-benzylation of phenols and activation of H2O2 for selective synthesis of BINOLs","Catalysis Science & Technology","2024","14","18","5234","5256","10.1039/D4CY00429A","","","0.71073","MoKα","","0.3392","0.0953","","","0.1301","0.1902","","","","","","1.063","","","","has coordinates","295088","2024-10-06","04:17:58",""
"1572236","10.888","0.001","7.319","0.001","11.07","0.001","90","","91.77","0.01","90","","881.74","0.17","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 Fe N -","- C22 H25 Fe N -","- C44 H50 Fe2 N2 -","2","1","","Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang","Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction","Catalysis Science & Technology","2024","14","19","5608","5615","10.1039/D4CY00677A","","","0.71073","MoKα","","0.0703","0.0476","","","0.0779","0.0852","","","","","","1.044","","","","has coordinates","295084","2024-10-06","04:13:28",""
"1572237","8.8638","0.0003","27.6166","0.001","22.2046","0.0008","90","","93.367","0.001","90","","5426","0.3","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H36 Co F10 N4 O2 P -","- C65 H36 Co F10 N4 O2 P -","- C260 H144 Co4 F40 N16 O8 P4 -","4","1","","Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang","Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction","Catalysis Science & Technology","2024","14","19","5608","5615","10.1039/D4CY00677A","","","0.71073","MoKα","","0.0911","0.0671","","","0.1758","0.1928","","","","","","1.053","","","","has coordinates","295084","2024-10-06","04:14:06",""
"1572249","12.7674","0.0005","17.7058","0.0007","15.0682","0.0006","90","","105.218","0.004","90","","3286.8","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Cu N O3 P3 -","- C32 H47 Cu N O3 P3 -","- C128 H188 Cu4 N4 O12 P12 -","4","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0722","0.0539","","","0.1289","0.1436","","","","","","1.036","","","","has coordinates","295086","2024-10-06","04:16:16",""
"1572250","10.4119","0.0011","15.363","0.002","18.5644","0.0017","90","","90","","90","","2969.5","0.6","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Cu N O3 P3 -","- C28 H39 Cu N O3 P3 -","- C112 H156 Cu4 N4 O12 P12 -","4","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0934","0.0535","","","0.0674","0.0821","","","","","","1.088","","","","has coordinates","295086","2024-10-06","04:16:30",""
"1572251","8.6246","0.0007","9.3841","0.0006","17.1248","0.001","91.601","0.005","97.997","0.006","100.216","0.006","1348.77","0.16","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H36 Cu Fe N O3 P2 -","- C22 H36 Cu Fe N O3 P2 -","- C44 H72 Cu2 Fe2 N2 O6 P4 -","2","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0512","0.0335","","","0.0646","0.0722","","","","","","1.032","","","","has coordinates","295086","2024-10-06","04:16:30",""
"1572544","18.3937","0.0009","9.9807","0.0005","26.3497","0.0013","90","","104.753","0.002","90","","4677.9","0.4","100","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C224 H208 N16 O16 S8 -","8","2","","Kumar, Manish; Singh, Bharat; Singh, Sugandha; Verma, Indresh; Kar, Kamal K.; Ghorai, Manas K.","A Metal-free Route to Substituted Imidazolidines via Ring-Opening Cyclization (ROC) of Activated Aziridines with N-Benzylanilines: DA-COP Catalyzed Photo-Oxidative C-H activation","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00808A","","x-ray","0.71073","MoKα","","0.0629","0.0462","","","0.1049","0.1157","","","","","","1.077","","","","has coordinates","294697","2024-09-10","21:38:18",""
"1572582","9.2748","0.0002","17.666","0.0005","11.4201","0.0003","90","","104.193","0.001","90","","1814.05","0.08","297","","297","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","2","","- C20 H26 F18 Fe N14 P3 -","- C20 H26 F18 Fe N14 P3 -","- C40 H52 F36 Fe2 N28 P6 -","2","0.5","","Zámbó, Greta Gundis; Esslinger, Carla Astrid Astrid; Sauer, Michael Johannes; Rüter, Isabelle; Reich, Robert M.; Demeshko, Serhiy; Meyer, Franc; Kühn, Fritz Elmar","Exploring the impact of abnormal coordination in macrocyclic N-heterocyclic carbene ligands on bio-inspired iron epoxidation catalysis","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00992D","","x-ray","0.71073","MoKα","","0.0499","0.0405","","","0.1082","0.1165","","","","","","1.043","","","","has coordinates,has disorder","294731","2024-09-12","21:39:33",""
"1572610","18.7285","0.0002","15.0456","0.0001","16.9428","0.0002","90","","90","","90","","4774.17","0.08","150","2","150","2","","","","","","","","6","I 2 2 2","I 2 2","23","","bis[Octa(mu-L-alanine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/25)","","- C24 H126 Cl12 N8 O57 Zr6 -","- C24 H84 Cl12 N8 O40 Zr6 -","- C48 H168 Cl24 N16 O80 Zr12 -","2","0.25","","García, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment.","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.0524","0.0515","","","0.1402","0.1416","","","","","","1.047","","","","has coordinates,has disorder","294779","2024-09-18","21:38:53",""
"1572611","12.0405","0.0007","12.6719","0.0007","15.9325","0.0012","98.769","0.005","99.955","0.006","108.458","0.005","2214.6","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","bis[octa(mu-L-tyrosine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/5)","","- C40 H118 Cl12 N8 O37 Zr6 -","- C40 H108 Cl12 N8 O37 Zr6 -","- C40 H108 Cl12 N8 O37 Zr6 -","1","1","","García, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment.","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.1293","0.0877","","","0.2113","0.2538","","","","","","1.025","","","","has coordinates,has disorder","294779","2024-09-18","21:38:54",""
"1572612","26.0034","0.0003","26.0034","0.0003","26.0034","0.0003","90","","90","","90","","17582.9","0.4","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","bis[Octa(mu-L-phenylalanine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/16.5)","","- C72 H141 Cl12 N8 O48.5 Zr6 -","- C72 H116 Cl12 N8 O36 Zr6 -","- C432 H696 Cl72 N48 O216 Zr36 -","6","0.25","","García, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment.","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.1704","0.0509","","","0.0795","0.0906","","","","","","0.643","","","","has coordinates,has disorder","294779","2024-09-18","21:38:54",""
"1572613","18.5786","0.0007","20.219","0.0008","21.8305","0.0009","102.24","0.004","93.269","0.003","111.66","0.004","7365.1","0.6","150","2","150","2","","","","","","","","6","P 1","P 1","1","","bis[Octa(mu-L-tryptophan-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/16.5)","","- C88 H186 Cl12 N16 O67 Zr6 -","- C88 H135 Cl12 N16 O67 Zr6 -","- C176 H270 Cl24 N32 O134 Zr12 -","2","2","","García, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment.","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.1435","0.0816","","","0.1688","0.2137","","","","","","1.016","","","","has coordinates","294779","2024-09-18","21:38:54",""
"1572614","28.1804","0.0002","26.0321","0.0002","17.6857","0.0002","90","","90","","90","","12974.1","0.2","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","bis[octa(mu-D-tyrosine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/25)","","- C72 H158 Cl12 N8 O65 Zr6 -","- C72 H108 Cl12 N8 O65 Zr6 -","- C288 H432 Cl48 N32 O260 Zr24 -","4","1","","García, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment.","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.0633","0.05","","","0.1251","0.1342","","","","","","1.043","","","","has coordinates,has disorder","294779","2024-09-18","21:38:54",""
"1572694","6.9906","0.0003","13.5843","0.0008","16.4969","0.001","111.425","0.005","91.674","0.004","104.299","0.004","1400.71","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 Cu4 N14 O22 -","- C46 H62 Cu4 N14 O22 -","- C46 H62 Cu4 N14 O22 -","1","0.5","","Chang Liao, Nien-Chi; Basha, Sidick R.; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper Cluster Complex Catalyzed C-S bond Formation","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00968A","","","0.71073","MoKα","","0.054","0.0437","","","0.1016","0.1057","","","","","","1.185","","","","has coordinates","294896","2024-09-26","21:39:03",""
"1572695","23.249","0.004","24.663","0.004","19.015","0.003","90","","114.638","0.003","90","","9910","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H88 Cu8 N24 O36 -","- C80 H88 Cu8 N24 O36 -","- C320 H352 Cu32 N96 O144 -","4","0.5","","Chang Liao, Nien-Chi; Basha, Sidick R.; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper Cluster Complex Catalyzed C-S bond Formation","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00968A","","","0.71073","MoKα","","0.159","0.0713","","","0.188","0.2546","","","","","","0.99","","","","has coordinates,has disorder","294896","2024-09-26","21:39:05",""
"1572696","24.8301","0.0013","11.1779","0.0006","25.5838","0.001","90","","117.139","0.003","90","","6319","0.6","150","2","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C64 H58 Cu4 N8 O14 -","- C64 H58 Cu4 N8 O14 -","- C256 H232 Cu16 N32 O56 -","4","0.5","","Chang Liao, Nien-Chi; Basha, Sidick R.; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper Cluster Complex Catalyzed C-S bond Formation","Catalysis Science & Technology","2024","","","","","10.1039/D4CY00968A","","","0.71073","MoKα","","0.053","0.0464","","","0.1195","0.1253","","","","","","1.036","","","","has coordinates","294896","2024-09-26","21:39:06",""
"1572997","9.7622","0.0002","11.3546","0.0002","20.4691","0.0003","90","","90.507","0.002","90","","2268.83","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N5 P -","- C26 H22 N5 P -","- C104 H88 N20 P4 -","4","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.0348","0.0318","","","0.0794","0.0817","","","","","","1.037","","","","has coordinates","295734","2024-11-03","23:17:21",""
"1572998","8.5305","0.0004","9.4375","0.0004","17.6861","0.0006","90.703","0.003","98.984","0.003","99.254","0.004","1387.06","0.1","273.15","0.1","273.15","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C27 H22 Cl F3 N5 Ni O3 P S -","- C27 H22 Cl F3 N5 Ni O3 P S -","- C54 H44 Cl2 F6 N10 Ni2 O6 P2 S2 -","2","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.1065","0.0576","","","0.1101","0.1262","","","","","","1.025","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1572999","21.2519","0.0014","10.0002","0.0005","24.7491","0.0015","90","","114.089","0.007","90","","4801.7","0.6","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H19 Cl N5 Ni P -","- C25 H19 Cl N5 Ni P -","- C200 H152 Cl8 N40 Ni8 P8 -","8","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.0896","0.0546","","","0.1331","0.1599","","","","","","0.986","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573000","17.3501","0.0008","10.6515","0.0005","14.9182","0.0006","90","","90","","90","","2757","0.2","150","2","150","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C22 H28 Cl F3 N5 Ni O3 P S -","- C22 H28 Cl F3 N5 Ni O3 P S -","- C88 H112 Cl4 F12 N20 Ni4 O12 P4 S4 -","4","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.0519","0.0389","","","0.0816","0.0876","","","","","","1.005","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573001","7.8912","0.0007","8.8336","0.001","18.4362","0.0019","85.707","0.004","85.978","0.004","74.077","0.004","1230.7","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H62 Cl2 N10 Ni2 O P2 -","- C48 H62 Cl2 N10 Ni2 O P2 -","- C48 H62 Cl2 N10 Ni2 O P2 -","1","0.5","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.0318","0.0264","","","0.0621","0.0647","","","","","","1.028","","","","has coordinates,has disorder","295734","2024-11-03","23:17:23",""
"1573002","42.93","0.003","42.93","0.003","16.9889","0.0015","90","","90","","120","","27116","4","293.15","","293.15","","","","","","","","","9","R -3 :H","-R 3","148","","","","- C52 H40 Cl2 F6 N10 Ni2 O6 P2 S2 -","- C52 H40 Cl2 F6 N10 Ni2 O6 P2 S2 -","- C936 H720 Cl36 F108 N180 Ni36 O108 P36 S36 -","18","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.1178","0.0596","","","0.1314","0.1636","","","","","","1.025","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573093","13.0868","0.0011","15.0378","0.0014","12.4442","0.0009","90","","91.317","0.007","90","","2448.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Ag Cl N2 -","- C29 H24 Ag Cl N2 -","- C116 H96 Ag4 Cl4 N8 -","4","0.5","","Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IBzH (IBenzhydryl): Sterically-Flexible N-Aliphatic N-Heterocyclic Carbenes (NHC) for Iron-Catalyzed C(sp3)–C(sp2) Cross-Coupling of Unactivated Haloalkanes","Catalysis Science & Technology","2024","","","","","10.1039/D4CY01315H","","","0.71073","MoKα","","0.0761","0.0462","","","0.0758","0.0829","","","","","","1.032","","","","has coordinates","295881","2024-11-12","22:36:32",""
"1573094","8.3091","0.0001","25.5056","0.0002","11.3577","0.0001","90","","107.935","0.001","90","","2290.06","0.04","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 Se -","- C29 H24 N2 Se -","- C116 H96 N8 Se4 -","4","1","","Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IBzH (IBenzhydryl): Sterically-Flexible N-Aliphatic N-Heterocyclic Carbenes (NHC) for Iron-Catalyzed C(sp3)–C(sp2) Cross-Coupling of Unactivated Haloalkanes","Catalysis Science & Technology","2024","","","","","10.1039/D4CY01315H","","","1.54184","CuKα","","0.0252","0.0244","","","0.0623","0.0627","","","","","","1.055","","","","has coordinates","295881","2024-11-12","22:36:36",""