# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-29T05:52:47+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Catalysis Science & Technology') AND volume = 4 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",""
"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",""