# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T09:25:58+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 = 12 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
"1565172","7.918","0.0002","17.8","0.0005","14.7128","0.0005","90","","95.2089","0.0014","90","","2065.06","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Br N4 O2 Ru -","- C20 H23 Br N4 O2 Ru -","- C80 H92 Br4 N16 O8 Ru4 -","4","1","","Illam, Praseetha Mathoor; Rit, Arnab","Electronically tuneable orthometalated RuII–NHC complexes as efficient catalysts for C–C and C–N bond formations via borrowing hydrogen strategy","Catalysis Science & Technology","2022","12","1","67","74","10.1039/D1CY01767E","","","0.71073","MoKα","","0.0407","0.028","","","0.0561","0.06","","","","","","1.055","","","","has coordinates","272554","2022-02-04","19:03:09",""
"1565173","5.446","0.0006","5.7605","0.0008","4.9406","0.0006","90","","90","","90","","154.99","0.03","296","2","296","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0512","0.0458","","","0.1094","0.1114","","","","","","1.268","","","","has coordinates","272555","2022-02-04","19:03:18",""
"1565174","17.5321","0.0014","17.5321","0.0014","10.9885","0.001","90","","90","","120","","2925.1","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H25 Co N2 O6 -","- C19 H25 Co N2 O6 -","- C114 H150 Co6 N12 O36 -","6","1","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0903","0.0512","","","0.0983","0.1081","","","","","","1.028","","","","has coordinates,has disorder","272555","2022-02-04","19:03:18",""
"1565488","10.0784","0.0003","11.7543","0.0003","30.5885","0.0007","90","","90","","90","","3623.65","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 N2 O P2 -","- C43 H44 N2 O P2 -","- C172 H176 N8 O4 P8 -","4","1","","Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G.","Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis","Catalysis Science & Technology","2022","12","5","1392","1399","10.1039/D1CY02017J","","","1.54178","CuKα","","0.0247","0.0246","","","0.0645","0.0646","","","","","","1.058","","","","has coordinates","274938","2022-05-05","20:17:57",""
"1565975","15.755","0.0003","25.4335","0.0004","21.5604","0.0004","90","","92.253","0.001","90","","8632.7","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H252 F4 N6 O71 V24 -","- C113 H252 F4 N6 O71 V24 -","- C226 H504 F8 N12 O142 V48 -","2","0.5","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0435","0.0358","","","0.0882","0.0925","","","","","","1.025","","","","has coordinates,has disorder","274936","2022-05-05","20:17:34",""
"1565976","17.7995","0.0004","23.6442","0.0005","20.9424","0.0004","90","","91.945","0.001","90","","8808.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H126 F2 N4 O34 V12 -","- C59 H126 F2 N4 O34 V12 -","- C236 H504 F8 N16 O136 V48 -","4","1","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0773","0.0559","","","0.1338","0.1455","","","","","","1.05","","","","has coordinates,has disorder","274936","2022-05-05","20:17:35",""
"1565977","17.199","0.0004","21.6914","0.0005","54.059","0.0012","90","","90","","90","","20167.8","0.8","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H117 F2 N3 O32 V12 -","- C52 H117 F2 N3 O32 V12 -","- C416 H936 F16 N24 O256 V96 -","8","2","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.1321","0.0905","","","0.2017","0.2254","","","","","","1.057","","","","has coordinates","274936","2022-05-05","20:17:35",""
"1566090","14.06525","0.00017","25.1567","0.0004","13.9309","0.0002","90","","100.051","0.0014","90","","4853.59","0.12","160","1","160","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N4 O5 P Ru -","- C21 H16 Cl N4 O5 P Ru -","- C168 H128 Cl8 N32 O40 P8 Ru8 -","8","1","","Bühler, Jan; Zurflüh, Jonas; Siol, Sebastian; Blacque, Olivier; Sévery, Laurent; Tilley, S. David","Electrochemical ruthenium-catalysed C–H activation in water through heterogenization of a molecular catalyst","Catalysis Science & Technology","2022","12","5","1512","1519","10.1039/D1CY01999F","","x-ray","1.54184","CuKα","","0.0623","0.0518","","","0.1359","0.1444","","","","","","1.043","","","","has coordinates","274939","2022-05-05","20:18:05",""
"1566239","39.433","0.003","39.433","0.003","16.2564","0.0005","90","","90","","120","","21891","2","200.15","","200.15","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C45.27 H22 Al Cl2 Cr0.18 O15.33 Zr3 -","- C45.26 H22 Al Cl2 Cr0.184 O15.3334 Zr3 -","- C271.56 H132 Al6 Cl12 Cr1.104 O92.0004 Zr18 -","6","0.25","","Goetjen, Timothy A.; Knapp, Julia G.; Syed, Zoha H.; Hackler, Ryan A.; Zhang, Xuan; Delferro, Massimiliano; Hupp, Joseph T.; Farha, Omar K.","Ethylene polymerization with a crystallographically well-defined metal–organic framework supported catalyst","Catalysis Science & Technology","2022","12","5","1619","1627","10.1039/D1CY01990B","","x-ray","1.54184","CuKα","","0.1033","0.0859","","","0.2454","0.2678","","","","","","1.021","","","","has coordinates,has disorder","274937","2022-05-05","20:17:48",""
"1566376","7.3409","0.0003","8.2378","0.0003","14.1911","0.0006","77.242","0.001","85.133","0.002","77.261","0.001","815.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl2 Co N3 O -","- C15 H19 Cl2 Co N3 O -","- C30 H38 Cl4 Co2 N6 O2 -","2","1","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0193","0.0184","","","0.0467","0.0475","","","","","","1.029","","","","has coordinates","274940","2022-05-05","20:18:26",""
"1566377","16.65","0.0009","24.8705","0.0012","7.9667","0.0005","90","","90.49","0.002","90","","3298.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cl2 Co N3 -","- C15 H21 Cl2 Co N3 -","- C120 H168 Cl16 Co8 N24 -","8","2","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0481","0.0439","","","0.0834","0.0855","","","","","","1.132","","","","has coordinates","274940","2022-05-05","20:18:27",""
"1566663","12.6529","0.0005","18.7504","0.0006","15.5836","0.0005","90","","90","","90","","3697.2","0.2","104.9","","104.9","","","","","","","","","8","P c a 21","P 2c -2ac","29","","Potassium (hydrido carbonyl dimethylsulfoxido N,Nï>?-bis(diphenylphosphino)-2,6-diamidopyridino ruthenate (II))","","- C36 H37 K N3 O3 P2 Ru S -","- C36 H37 K N3 O3 P2 Ru S -","- C144 H148 K4 N12 O12 P8 Ru4 S4 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","x-ray","1.54178","CuKα","","0.06","0.0521","","","0.1374","0.1467","","","","","","1.031","","","","has coordinates,has disorder","275779","2022-06-06","01:37:49",""
"1566664","14.8971","0.0003","22.753","0.0004","28.6172","0.0004","90","","100.332","0.0006","90","","9542.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H83 N6 O3 P6 Ru2 -","- C100 H83 N6 O3 P6 Ru2 -","- C400 H332 N24 O12 P24 Ru8 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.05","0.043","","","0.0975","0.102","","","","","","1.038","","","","has coordinates,has disorder","275779","2022-06-06","01:38:01",""
"1566665","25.849","0.005","19.5041","0.0003","21.0152","0.0004","90","","90","","90","","10595","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C51 H48 Cl N4 O2 P3 Ru -","- C51 H48 Cl N4 O2 P3 Ru -","- C408 H384 Cl8 N32 O16 P24 Ru8 -","8","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.0343","0.0277","","","0.0673","0.0704","","","","","","1.023","","","","has coordinates","275779","2022-06-06","01:38:01",""
"1566680","9.9652","0.0003","18.349","0.0005","23.3602","0.0009","90","","96.462","0.003","90","","4244.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H47 Co O3 P2 -","- C50.5 H47 Co O3 P2 -","- C202 H188 Co4 O12 P8 -","4","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71075","MoKα","","0.1079","0.0512","","","0.1233","0.1468","","","","","","1.009","","","","has coordinates,has disorder","275775","2022-06-06","01:36:45",""
"1566681","10.8578","0.0008","11.6947","0.0009","17.4282","0.0013","106.744","0.003","95.84","0.003","112.496","0.003","1900.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H32 Co2 O7 P2 -","- C45 H32 Co2 O7 P2 -","- C90 H64 Co4 O14 P4 -","2","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71073","MoKα","","0.0375","0.0292","","","0.0719","0.0782","","","","","","1.034","","","","has coordinates","275775","2022-06-06","01:36:46",""
"1566688","15.262","0.0006","12.8154","0.0005","20.9917","0.0008","90","","108.535","0.0016","90","","3892.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C117.6 H163.2 Cl35.2 N8 P8 Pd4 -","4","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0395","0.0317","","","0.0781","0.0837","","","","","","1.043","","","","has coordinates,has disorder","275777","2022-06-06","01:37:18",""
"1566689","9.1591","0.0008","11.3142","0.001","15.1394","0.0014","103.273","0.002","102.525","0.002","105.201","0.002","1408","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 B2 N2 P2 -","- C26 H40 B2 N2 P2 -","- C52 H80 B4 N4 P4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0361","0.0328","","","0.0882","0.0919","","","","","","1.034","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566690","11.2734","0.0007","12.1729","0.0007","13.5903","0.0008","73.9005","0.0013","72.8892","0.0013","73.6404","0.0012","1671.4","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C56 H68 F12 N4 O12 P4 Pd2 S4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0207","0.0201","","","0.0501","0.0506","","","","","","1.027","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566769","17.3","0.003","17.4","","18.975","0.003","90","","90","","90","","5711.9","1.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H28 Bi N4 O9 -","- C48 H28 Bi N4 O9 -","- C192 H112 Bi4 N16 O36 -","4","1","","Xie, Dale; Wang, Sheng; Li, Shihao; Yang, Wenqing; Feng, Yi-Si","A two-dimensional Bi-based porphyrin metal–organic framework photocatalyst for white light-driven selective oxidation of sulfides","Catalysis Science & Technology","2022","12","10","3254","3260","10.1039/D2CY00387B","","x-ray","0.71073","MoKα","","0.0786","0.0474","","","0.0899","0.0964","","","","","","0.719","","","","has coordinates","275776","2022-06-06","01:37:08",""
"1566791","11.4082","0.0016","13.035","0.002","14.939","0.002","66.497","0.006","68.941","0.006","83.213","0.007","1900.3","0.5","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C38 H63 In N2 O3 -","- C38 H63 In N2 O3 -","- C76 H126 In2 N4 O6 -","2","1","","Bruckmoser, Jonas; Henschel, Daniel; Vagin, Sergei; Rieger, Bernhard","Combining high activity with broad monomer scope: indium salan catalysts in the ring-opening polymerization of various cyclic esters","Catalysis Science & Technology","2022","12","10","3295","3302","10.1039/D2CY00436D","","x-ray","0.71073","MoKα","","0.051","0.0418","","","0.1004","0.1049","","","","","","0.997","","","","has coordinates","275778","2022-06-06","01:37:27",""
"1567084","11.9522","0.0003","13.5271","0.0004","14.8191","0.0005","90","","104.592","0.003","90","","2318.65","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0534","0.041","","","0.0929","0.1015","","","","","","1.042","","","","has coordinates,has disorder","277087","2022-08-06","11:33:45",""
"1567085","9.9307","0.0003","17.6625","0.0006","22.0161","0.001","90","","90","","90","","3861.6","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H72 Cr2 Li4 O4 -","- C32 H72 Cr2 Li4 O4 -","- C128 H288 Cr8 Li16 O16 -","4","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0981","0.0619","","","0.1525","0.1775","","","","","","1.062","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567086","9.3625","0.0003","12.7925","0.0003","19.2108","0.0005","90","","96.406","0.003","90","","2286.51","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0583","0.0467","","","0.1067","0.1121","","","","","","1.115","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567159","9.7214","0.0018","12.92","0.002","17.269","0.003","77.514","0.005","83.542","0.006","79.876","0.006","2078.5","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H37 Co N5 P -","- C56 H37 Co N5 P -","- C112 H74 Co2 N10 P2 -","2","1","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1912","0.081","","","0.1323","0.1739","","","","","","1.03","","","","has coordinates","277649","2022-09-06","09:44:34",""
"1567160","14.3899","0.0007","16.2551","0.0008","19.6213","0.0009","91.265","0.002","108.634","0.002","94.679","0.002","4328.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H36 Co N6 P -","- C57 H36 Co N6 P -","- C228 H144 Co4 N24 P4 -","4","2","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1385","0.0812","","","0.1866","0.2263","","","","","","1.018","","","","has coordinates,has disorder","277649","2022-09-06","09:45:17",""
"1567179","15.1207","","5.2004","","7.6325","","90","","95.5358","","90","","597.372","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 Pb S2 -","- C12 H10 O2 Pb S2 -","- C24 H20 O4 Pb2 S4 -","2","0.5","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα1","","0.0598","0.0557","","0.0637","0.0627","","","","1","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567180","7.4789","0.0007","5.2068","0.0005","17.4623","0.0016","90","","93.3828","0.0019","90","","678.82","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Pb S2 -","- C6 H4 Pb S2 -","- C24 H16 Pb4 S8 -","4","1","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα","","0.018","0.0179","","0.0218","0.0217","","","","0.88","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567274","5.5106","0.0002","7.7117","0.0003","9.6692","0.0003","70.09","0.001","86.972","0.001","85.438","0.001","384.97","0.02","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H15 F2 N O -","- C19 H15 F2 N O -","- C19 H15 F2 N O -","1","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0334","0.031","","","0.0783","0.0809","","","","","","1.036","","","","has coordinates","277648","2022-09-06","09:42:54",""
"1567275","11.9237","0.0004","10.5309","0.0004","12.4165","0.0003","90","","114.482","0.001","90","","1418.93","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F2 N O -","- C17 H17 F2 N O -","- C68 H68 F8 N4 O4 -","4","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0577","0.0427","","","0.1043","0.1166","","","","","","1.054","","","","has coordinates","277648","2022-09-06","09:43:43",""
"1567424","11.3315","0.0007","12.2669","0.0008","14.2038","0.001","77.65","0.003","88.094","0.003","75.63","0.002","1867.9","0.2","100","","100","","","","","","","","see text","8","P 1","P 1","1","","","","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","1","1","","Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E.","Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance","Catalysis Science & Technology","2022","12","18","5597","5603","10.1039/D2CY01036D","","x-ray","0.71073","MoKα","","0.0369","0.0359","","","0.0961","0.0973","","","","","","1.058","","","","has coordinates,has disorder","278393","2022-10-07","00:37:23",""
"1567446","20.6047","0.0009","11.4378","0.0005","10.1417","0.0005","90","","92.408","0.004","90","","2388.01","0.19","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N2 O2 -","- C29 H33 N2 O2 -","- C116 H132 N8 O8 -","4","1","","Yang, Zhi-Wen; Chen, Jin-Mei; Qiu, Li-Qi; Xie, Wen-Jun; He, Liang-Nian","Solar energy-driven electrolysis with molecular catalysts for the reduction of carbon dioxide coupled with the oxidation of 5-hydroxymethylfurfural","Catalysis Science & Technology","2022","12","18","5495","5500","10.1039/D2CY01195F","","x-ray","0.71073","MoKα","","0.0873","0.0649","","","0.1663","0.176","","","","","","1.018","","","","has coordinates","278394","2022-10-07","00:37:31",""
"1567491","23.213","0.005","6.0771","0.0002","30.525","0.006","90","","151.09","0.05","90","","2082","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 N2 O2 S -","- C22 H20 Cl2 N2 O2 S -","- C88 H80 Cl8 N8 O8 S4 -","4","1","","Gurung, Bikram; Pradhan, Sajan; Sharma, Debesh; Bhujel, Deshaj; Basel, Siddhant; Chettri, Shivanand; Rasaily, Sagarmani; Pariyar, Anand; Tamang, Sudarsan","CsPbBr3 perovskite quantum dots as a visible light photocatalyst for cyclisation of diamines and amino alcohols: an efficient approach to synthesize imidazolidines, fused-imidazolidines and oxazolidines","Catalysis Science & Technology","2022","12","19","5891","5898","10.1039/D2CY00799A","","","1.54184","CuKα","","0.069","0.0585","","","0.1673","0.1886","","","","","","1.039","","","","has coordinates","278391","2022-10-07","00:37:04",""
"1567535","9.7337","0.001","6.0539","0.0006","21.73","0.002","90","","101.532","0.003","90","","1254.6","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H26 N4 O2 Zn -","- C28 H26 N4 O2 Zn -","- C56 H52 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0416","0.0388","","","0.1045","0.1071","","","","","","1.089","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567536","9.911","0.003","6.0729","0.0009","27.229","0.004","90","","93.877","0.016","90","","1635.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H36 N4 O2 Zn -","- C36 H36 N4 O2 Zn -","- C72 H72 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.071","0.0564","","","0.1526","0.1665","","","","","","1.039","","","","has coordinates,has disorder","278958","2022-11-07","05:03:52",""
"1567537","27.956","0.007","5.988","0.0014","19.792","0.01","90","","123.7","0.03","90","","2756.4","1.9","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N4 O4 Zn -","- C30 H30 N4 O4 Zn -","- C120 H120 N16 O16 Zn4 -","4","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0386","0.036","","","0.0983","0.1004","","","","","","1.054","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567562","10.0485","0.0005","17.8373","0.0009","26.9426","0.0015","90","","98.285","0.005","90","","4778.7","0.4","293","2","293.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 B2 F8 N4 O P2 Ru -","- C49 H46 B2 F8 N4 O P2 Ru -","- C196 H184 B8 F32 N16 O4 P8 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.11","0.0613","","","0.1395","0.1666","","","","","","0.989","","","","has coordinates","278957","2022-11-07","05:03:39",""
"1567563","17.8555","0.0005","10.37049","0.00019","18.2838","0.0005","90","","110.261","0.003","90","","3176.13","0.15","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B F4 N4 O P Ru -","- C32 H34 B F4 N4 O P Ru -","- C128 H136 B4 F16 N16 O4 P4 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.0618","0.0427","","","0.0948","0.1062","","","","","","1.026","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567564","17.5755","0.0006","19.7613","0.0008","21.9822","0.0009","106.12","0.004","103.92","0.003","103.786","0.003","6727.3","0.5","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H32 Cl N4 O P Ru -","- C31 H32 Cl N4 O P Ru -","- C248 H256 Cl8 N32 O8 P8 Ru8 -","8","4","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.1274","0.0962","","","0.2659","0.2852","","","","","","1.038","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567672","22.26","0.008","14.479","0.006","22.541","0.008","90","","106.1","0.04","90","","6980","5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C74 H80 Cl2 N4 Pd2 -","- C74 H80 Cl2 N4 Pd2 -","- C296 H320 Cl8 N16 Pd8 -","4","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.4374","0.1364","","","0.2642","0.3906","","","","","","0.839","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567673","15.8974","0.0008","16.5103","0.0007","21.77","0.002","90","","90","","90","","5714","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Cl N2 Pd -","- C31 H37 Cl N2 Pd -","- C248 H296 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0724","0.0387","","","0.0825","0.0964","","","","","","1.011","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567674","19.238","0.0014","17.9782","0.0018","21.2489","0.0009","90","","90","","90","","7349.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C328 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.068","0.0369","","","0.083","0.0987","","","","","","1.023","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567675","14.159","0.0004","17.0852","0.0008","29.6394","0.0009","90","","90","","90","","7170","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 Cl N2 Pd -","- C40 H47 Cl N2 Pd -","- C320 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0942","0.0521","","","0.104","0.1227","","","","","","1.031","","","","has coordinates,has disorder","278959","2022-11-07","05:04:10",""
"1567708","26.505","0.006","5.5966","0.0007","9.4104","0.0011","90","","98.519","0.015","90","","1380.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1258","0.0726","","","0.1669","0.2072","","","","","","1.066","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567709","5.5956","0.0004","23.7388","0.0013","9.2195","0.0006","90","","99.725","0.007","90","","1207.05","0.14","453","2","453","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenyl-1H-indole-1-carboxamide","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0725","0.0519","","","0.1231","0.1371","","","","","","1.082","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567710","8.0666","0.0006","12.7868","0.0008","15.6641","0.0011","77.581","0.006","87.401","0.006","78.419","0.006","1545.76","0.19","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H13 B Cl F15 N2 O -","- C34 H13 B Cl F15 N2 O -","- C68 H26 B2 Cl2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0703","0.0451","","","0.094","0.1125","","","","","","0.969","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567711","7.9694","0.0004","12.4723","0.0008","15.5816","0.0008","78.311","0.005","86.618","0.004","79.065","0.004","1488.76","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H14 B F15 N2 O -","- C34 H14 B F15 N2 O -","- C68 H28 B2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0718","0.0443","","","0.0878","0.1047","","","","","","1.062","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567712","15.121","0.002","6.9264","0.0007","9.8879","0.0013","90","","109.906","0.014","90","","973.7","0.2","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H7 B Cl3 N -","- C8 H7 B Cl3 N -","- C32 H28 B4 Cl12 N4 -","4","0.5","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0518","0.0378","","","0.0754","0.083","","","","","","1.118","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567713","12.7275","0.0004","16.2624","0.0004","19.5564","0.0006","69.141","0.003","77.001","0.003","87.734","0.002","3681.9","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H17 B Br Cl4 F10 N3 O2 -","- C36 H17 B Br Cl3.99995 F10 N3 O2 -","- C144 H68 B4 Br4 Cl15.9998 F40 N12 O8 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0699","0.0584","","","0.1632","0.1792","","","","","","1.04","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567714","10.0506","0.0006","12.4111","0.0009","19.1784","0.0012","99.504","0.005","93.559","0.005","90.568","0.005","2354.4","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl N2 O Si -","- C25 H25 Cl N2 O Si -","- C100 H100 Cl4 N8 O4 Si4 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.1023","0.0588","","","0.1384","0.1677","","","","","","0.966","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567715","16.5207","0.0004","9.9632","0.0002","34.818","0.0009","90","","91.771","0.002","90","","5728.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-cyclohexyl-1,1-dipropylurea","","- C13 H26 N2 O -","- C13 H26 N2 O -","- C208 H416 N32 O16 -","16","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0721","0.0559","","","0.1568","0.1717","","","","","","1.052","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567716","22.5646","0.0017","13.0075","0.001","8.9569","0.001","90","","95.53","0.008","90","","2616.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1563","0.065","","","0.1463","0.193","","","","","","1.072","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567717","5.6086","0.0002","9.3087","0.0003","23.8205","0.0007","90","","90.95","0.003","90","","1243.47","0.07","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Cl F5 N O -","- C13 H5 Cl F5 N O -","- C52 H20 Cl4 F20 N4 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0431","0.0377","","","0.0997","0.1053","","","","","","1.043","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567718","5.7822","0.0003","12.3852","0.0006","27.1093","0.0014","90","","90","","90","","1941.4","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl N3 O2 -","- C23 H18 Cl N3 O2 -","- C92 H72 Cl4 N12 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0764","0.0667","","","0.1709","0.1829","","","","","","1.027","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567777","9.6677","0.0004","11.6496","0.0003","12.2679","0.0005","109.146","0.003","112.87","0.004","91.797","0.003","1182.45","0.09","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl2 N2 P Zn -","- C24 H27 Cl2 N2 P Zn -","- C48 H54 Cl4 N4 P2 Zn2 -","2","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.036","0.0352","","","0.1013","0.102","","","","","","1.071","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567778","14.5983","0.0001","11.3593","0.0001","16.4355","0.0001","90","","101.497","0.001","90","","2670.76","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl2 N2 P Zn -","- C29 H29 Cl2 N2 P Zn -","- C116 H116 Cl8 N8 P4 Zn4 -","4","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.0342","0.0326","","","0.0893","0.0907","","","","","","1.031","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567788","8.8255","0.001","11.6235","0.0014","12.598","0.0015","73.4523","0.0018","75.8056","0.0018","72.4567","0.0018","1163.1","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 F6 Mn N4 O6 S2 -","- C16 H16 F6 Mn N4 O6 S2 -","- C32 H32 F12 Mn2 N8 O12 S4 -","2","1","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0576","0.0404","","","0.0966","0.1089","","","","","","1.03","","","","has coordinates,has disorder","280157","2023-01-06","09:26:30",""
"1567789","8.9946","0.0007","9.9209","0.0008","12.2244","0.0009","90","","105.646","0.003","90","","1050.42","0.14","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C14 H15 F6 Mn N3 O7 S2 -","- C14 H15 F6 Mn N3 O7 S2 -","- C28 H30 F12 Mn2 N6 O14 S4 -","2","0.5","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0473","0.0466","","","0.1046","0.1049","","","","","","1.217","","","","has coordinates,has disorder","280157","2023-01-06","09:26:31",""
"1567795","14.7885","0.0016","17.1958","0.0019","15.9928","0.0018","90","","96.222","0.002","90","","4043","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C128 H204 Cl8 F12 Ir8 N8 O20 P8 S4 -","4","1","","Do, Van K.; Alfonso Vargas, Nicolas; Chavez, Anthony J.; Zhang, Long; Cherepakhin, Valeriy; Lu, Zhiyao; Currier, Robert P.; Dub, Pavel A.; Gordon, John C.; Williams, Travis J.","Pressurized formic acid dehydrogenation: an entropic spring replaces hydrogen compression cost","Catalysis Science & Technology","2022","12","23","7182","7189","10.1039/D2CY00676F","","","0.71073","MoKα","","0.0463","0.0284","","","0.0494","0.0538","","","","","","1.027","","","","has coordinates","280159","2023-01-06","09:26:50",""
"1567796","14.2283","0.0005","12.4939","0.0004","8.2937","0.0002","90","","98.4225","0.0012","90","","1458.44","0.08","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14.96 H11.84 Cl0.02 N2 O5.98 Pt0.02 S0.98 -","- C14.959 H11.836 Cl0.0205 N2 O5.9795 Pt0.0205 S0.9795 -","- C59.836 H47.344 Cl0.082 N8 O23.918 Pt0.082 S3.918 -","4","1","","Maciulis, Nicholas A.; Wasim, Eman; Rezvani, Fereshteh; Pink, Maren; Sterbinsky, George E.; Caulton, Kenneth G.; Tait, Steven L.","Carboxylic acid ligand substituent impacts hydrosilylation activity of platinum single atom catalysts on ceria","Catalysis Science & Technology","2022","12","24","7349","7360","10.1039/D2CY01017H","","","0.71073","MoKα","","0.048","0.0385","","","0.093","0.0986","","","","","","1.042","","","","has coordinates,has disorder","280155","2023-01-06","09:26:15",""
"1567839","6.8699","0.0003","19.185","0.0009","8.392","0.0004","90","","105.318","0.002","90","","1066.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Co2 O20 P4 -","- C8 H16 Co2 O20 P4 -","- C16 H32 Co4 O40 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0545","0.0376","","","0.0859","0.0927","","","","","","1.043","","","","has coordinates","280154","2023-01-06","09:26:06",""
"1567840","10.6044","0.0004","10.3561","0.0004","13.9206","0.0006","90","","97.323","0.001","90","","1516.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H40 Ni3 O30 P4 -","- C8 H40 Ni3 O30 P4 -","- C16 H80 Ni6 O60 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0528","0.0399","","","0.0946","0.1015","","","","","","1.069","","","","has coordinates","280154","2023-01-06","09:26:07",""
"1567907","15.9809","0.0005","8.5994","0.0003","15.5441","0.0005","90","","102.998","0.001","90","","2081.43","0.12","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br2 N3 Ni -","- C21 H19 Br2 N3 Ni -","- C84 H76 Br8 N12 Ni4 -","4","0.5","","Norouziyanlakvan, Somayeh; Ferguson, Jonathan; Richeson, Darrin","Electrocatalytic hydrogen production from neutral water using an aqueous Ni(ii) pincer complex","Catalysis Science & Technology","2022","12","24","7494","7500","10.1039/D2CY01504H","","","0.71073","MoKα","","0.0284","0.0244","","","0.0616","0.065","","","","","","1.105","","","","has coordinates","280156","2023-01-06","09:26:23",""