# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T19:51:19+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 'Catal. Sci. Technol.') AND volume = 5 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"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",""
"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",""