# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:25:20+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 volume = 13 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
"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",""
"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",""
"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",""
"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",""