# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T18:21:42+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 = 6 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
"1529430","18.646","0.002","12.596","0.0009","14.6475","0.0012","90","","112.453","0.011","90","","3179.4","0.5","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Na O6 -","- C36 H41 Na O6 -","- C144 H164 Na4 O24 -","4","1","","Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide","Catal. Sci. Technol.","2016","6","2","515","","10.1039/C5CY01194A","","","0.71073","MoKα","","0.2022","0.0784","","","0.143","0.2064","","","","","","0.988","","","","has coordinates","175859","2020-10-21","18:00:00",""
"1532462","14.4834","0.001","6.1063","0.0005","16.8547","0.0012","90","","104.786","0.008","90","","1441.27","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.0481","","","","0.1645","","","","","","0.968","","","","has coordinates","177626","2020-10-21","18:00:00",""
"1532463","14.476","0.0006","6.097","0.00017","16.8438","0.0007","90","","104.788","0.0019","90","","1437.39","0.09","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.1067","","","","0.3238","","","","","","1.032","","","","has coordinates","177626","2020-10-21","18:00:00",""
"1532464","21.5645","0.0007","21.5645","0.0007","9.4379","0.0003","90","","90","","120","","3800.9","0.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","VNU-10","","- C11 H10 Co N O4 -","- C11 H10 Co N O4 -","- C66 H60 Co6 N6 O24 -","6","0.25","","Tu, Thach N.; Nguyen, Khoa D.; Nguyen, Truong N.; Truong, Thanh; Phan, Nam T. S.","New topological Co2(BDC)2(DABCO) as a highly active heterogeneous catalyst for the amination of oxazoles via oxidative C‒H/N‒H couplings","Catal. Sci. Technol.","2016","6","5","1384","","10.1039/C5CY01145K","","","1.54178","CuKα","","0.0648","0.0524","","","0.139","0.1456","","","","","","1.129","","","","has coordinates","177628","2020-10-21","18:00:00",""
"1539136","12.6986","0.001","12.8906","0.0013","14.9043","0.0016","90.191","0.009","108.659","0.008","92.048","0.007","2309.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N8 O5 Zn -","- C45 H56 Cl2 N8 O5 Zn -","- C90 H112 Cl4 N16 O10 Zn2 -","2","1","","Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan","Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide","Catal. Sci. Technol.","2016","6","6","1779","","10.1039/C5CY01290B","","","1.54184","CuKα","","0.1248","0.102","","","0.2717","0.3093","","","","","","1.009","","","","has coordinates","181522","2020-10-21","18:00:00",""
"1540417","11.7833","0.0003","32.7044","0.001","13.6983","0.0004","90","","111.821","0.003","90","","4900.6","0.3","100","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1128","0.056","","","0.0905","0.1062","","","","","","0.984","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540418","18.3485","0.0007","16.9164","0.0007","17.4629","0.0008","90","","100.428","0.004","90","","5330.8","0.4","100","2","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H76 Cl2 F N2 P Ru -","- C61 H76 Cl2 F N2 P Ru -","- C244 H304 Cl8 F4 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1056","0.0586","","","0.1413","0.1688","","","","","","1.016","","","","has coordinates,has disorder","181521","2020-10-21","18:00:00",""
"1540419","14.15","0.0004","14.3631","0.0003","24.5735","0.0004","90","","90","","90","","4994.27","0.19","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.0762","0.0488","","","0.0703","0.0795","","","","","","0.905","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540530","12.7487","0.0004","19.7725","0.0006","18.4361","0.0005","90","","103.046","0.001","90","","4527.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 N2 O2 P2 Rh2 S2 -","- C45 H62 N2 O2 P2 Rh2 S2 -","- C180 H248 N8 O8 P8 Rh8 S8 -","4","1","","Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I.","Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation","Catal. Sci. Technol.","2016","6","5","1320","","10.1039/C5CY01505G","","","0.71073","MoKα","","0.0396","0.0255","","","0.0542","0.058","","","","","","1.023","","","","has coordinates","177625","2020-10-21","18:00:00",""
"1540718","11.2087","0.0004","15.5479","0.0006","20.7874","0.0008","90","","97.185","0.001","90","","3594.2","0.2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F3 N O7 P2 Rh S -","- C35 H37 F3 N O7 P2 Rh S -","- C140 H148 F12 N4 O28 P8 Rh4 S4 -","4","1","","Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye","Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins","Catal. Sci. Technol.","2016","6","11","3854","","10.1039/C5CY01827G","","","0.71073","MoKα","","0.0574","0.0436","","","0.1064","0.1168","","","","","","1.032","","","","has coordinates","185093","2020-10-21","18:00:00",""
"1541895","15.783","0.003","12.467","0.002","12.928","0.002","90","","102.277","0.003","90","","2485.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C120 H128 N16 -","8","2","","Xiu, Jianmin; Yi, Wenbin","Radical-based regioselective cross-coupling of indoles and cycloalkanes","Catal. Sci. Technol.","2016","6","4","998","","10.1039/C5CY01907A","","","0.71073","MoKα","","0.0663","0.043","","","0.1028","0.1153","","","","","","1.042","","","","has coordinates","177624","2020-10-21","18:00:00",""
"1542279","9.4008","0.0005","11.5017","0.0006","13.7959","0.0007","108.56","0.001","106.079","0.002","97.893","0.002","1316.5","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","1","0.5","","Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo","A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes","Catal. Sci. Technol.","2016","6","11","3727","","10.1039/C5CY01448D","","","0.71073","MoKα","","0.0296","0.0278","","","0.0765","0.0782","","","","","","1.039","","","","has coordinates","185092","2020-10-21","18:00:00",""
"1542345","28.294","0.0017","11.04","0.0007","15.2266","0.0009","90","","111.304","0.001","90","","4431.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 F3 Ir N2 O4 Si -","- C21 H26 F3 Ir N2 O4 Si -","- C168 H208 F24 Ir8 N16 O32 Si8 -","8","1","","Julián, Alejandro; Jaseer, E. A.; Garcés, Karin; Fernández-Alvarez, Francisco J.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","Tuning the activity and selectivity of iridium-NSiN catalyzed CO2hydrosilylation processes","Catal. Sci. Technol.","2016","6","12","4410","","10.1039/C5CY02139A","","","0.71073","MoKα","","0.0803","0.0645","","","0.1113","0.1155","","","","","","1.317","","","","has coordinates","185090","2020-10-21","18:00:00",""
"1542353","17.888","0.0011","8.6252","0.0005","21.0338","0.0013","90","","111.094","0.002","90","","3027.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B F4 Fe N3 O P -","- C28 H41 B F4 Fe N3 O P -","- C112 H164 B4 F16 Fe4 N12 O4 P4 -","4","1","","Butschke, B.; Feller, M.; Diskin-Posner, Y.; Milstein, D.","Ketone hydrogenation catalyzed by a new iron(ii)‒PNN complex","Catal. Sci. Technol.","2016","6","12","4428","","10.1039/C5CY02036K","","","0.71073","MoKα","","0.0719","0.0414","","","0.0915","0.104","","","","","","1.004","","","","has coordinates,has disorder","185087","2020-10-21","18:00:00",""
"1542366","7.6344","0.0003","10.5128","0.0003","15.3514","0.0006","103.182","0.003","92.237","0.003","90.962","0.003","1198.29","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Cl3 P Ru -","- C22 H36 Cl3 P Ru -","- C44 H72 Cl6 P2 Ru2 -","2","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.0388","0.0335","","","0.0842","0.092","","","","","","1.06","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542367","6.8231","0.0001","11.2772","0.0002","33.5183","0.0006","90","","91.031","0.001","90","","2578.66","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 F6 O P Ru -","- C24 H23 Cl2 F6 O P Ru -","- C96 H92 Cl8 F24 O4 P4 Ru4 -","4","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.056","0.0528","","","0.1227","0.1241","","","","","","1.17","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542404","7.5973","0.0006","8.106","0.0006","12.4901","0.0012","89.576","0.003","86.095","0.002","69.787","0.002","720.03","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N O6 -","- C12 H18 Cu N O6 -","- C24 H36 Cu2 N2 O12 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0394","0.0316","","","0.0762","0.0786","","","","","","1.098","","","","has coordinates","185089","2020-10-21","18:00:00",""
"1542405","9.2907","0.0005","13.3305","0.0006","15.2281","0.0007","90","","107.358","0.002","90","","1800.11","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Cu N2 O9 -","- C14 H27 Cu N2 O9 -","- C56 H108 Cu4 N8 O36 -","4","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0719","0.0524","","","0.1452","0.1587","","","","","","1.049","","","","has coordinates","185089","2020-10-21","18:00:00",""
"1542415","14.1412","0.0004","9.6921","0.0003","13.6154","0.0004","90","","93.23","0.001","90","","1863.13","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br2 Fe N3 Ni -","- C19 H17 Br2 Fe N3 Ni -","- C76 H68 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.0214","0.0208","","","0.0535","0.054","","","","","","1.059","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542416","14.2482","0.0003","9.8031","0.0002","14.1378","0.0003","90","","96.793","0.001","90","","1960.86","0.07","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br2 Fe N3 Ni -","- C20 H19 Br2 Fe N3 Ni -","- C80 H76 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.051","0.0502","","","0.1279","0.129","","","","","","1.101","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542536","9.92044","0.00014","14.02733","0.00018","18.6185","0.0003","90","","101.515","0.0013","90","","2538.75","0.06","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F6 N4 O6 S2 Zn -","- C22 H16 F6 N4 O6 S2 Zn -","- C88 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.032","0.0274","","","0.0665","0.0691","","","","","","1.054","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542537","9.75476","0.00012","14.26536","0.00017","19.5942","0.0002","90","","95.2384","0.0011","90","","2715.25","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F6 N4 O6 S2 Zn -","- C26 H16 F6 N4 O6 S2 Zn -","- C104 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.0328","0.0271","","","0.0689","0.0722","","","","","","1.051","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542538","8.3731","0.0003","8.6907","0.0003","11.7281","0.0005","68.851","0.003","81.968","0.003","82.401","0.003","785.04","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.71073","MoKα","","0.0331","0.0304","","","0.0525","0.0539","","","","","","0.966","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542578","7.1145","0.0002","7.6417","0.0002","15.3159","0.0005","93.275","0.001","97.569","0.001","113.744","0.001","749.96","0.04","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C32 H22 F6 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0258","0.0244","","","0.0585","0.0594","","","","","","1.069","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542579","7.2471","0.0004","31.8822","0.0018","6.7406","0.0003","90","","104.266","0.003","90","","1509.41","0.14","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0504","0.0328","","","0.0681","0.0739","","","","","","1.056","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542580","8.9791","0.0006","12.3295","0.0008","13.7453","0.0009","90","","100.651","0.003","90","","1495.49","0.17","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.1497","0.0624","","","0.1027","0.1299","","","","","","1.003","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542581","8.4202","0.0004","10.2245","0.0006","10.5319","0.0007","101.377","0.003","102.663","0.003","103.044","0.003","832.29","0.09","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C17 H10 F6 Mo O3 -","- C17 H10 F6 Mo O3 -","- C34 H20 F12 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0295","0.0242","","","0.0488","0.0506","","","","","","1.058","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542628","12.7129","0.0008","13.3917","0.0008","17.6166","0.0011","93.824","0.003","90.923","0.002","93.204","0.002","2987.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H39 B F24 N3 P Pd -","- C63 H39 B F24 N3 P Pd -","- C126 H78 B2 F48 N6 P2 Pd2 -","2","1","","Ojwach, Stephen O.; Ogweno, Aloice O.; Akerman, Matthew P.","(Pyridyl)benzoazole palladium(ii) complexes as homogeneous catalysts in hydrogenation of alkenes and alkynes","Catal. Sci. Technol.","2016","6","13","5069","","10.1039/C5CY02204E","","","0.71073","MoKα","","0.0434","0.041","","","0.1009","0.1025","","","","","","1.035","","","","has coordinates,has disorder","185083","2020-10-21","18:00:00",""
"1542764","36.067","0.003","15.5582","0.001","18.7893","0.0013","90","","92.869","0.004","90","","10530.2","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C400 H360 Cl8 F96 N80 O24 P16 Ru16 -","8","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1151","0.0619","","","0.1498","0.1812","","","","","","1.029","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542765","15.1819","0.0015","26.556","0.002","15.5336","0.0019","90","","112.382","0.004","90","","5790.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C202 H173 Cl8 N55 O40 Ru8 -","4","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1422","0.0942","","","0.2548","0.2835","","","","","","1.072","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542911","8.914","0.0008","10.559","0.0007","10.6874","0.0007","82.779","0.006","72.066","0.007","70.261","0.007","900.55","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H17 N O7 -","- C21 H17 N O7 -","- C42 H34 N2 O14 -","2","2","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Removing the superfluous: a supported squaramide catalyst with a minimalistic linker applied to the enantioselective flow synthesis of pyranonaphthoquinones","Catal. Sci. Technol.","2016","6","13","4686","","10.1039/C6CY00473C","","","0.7107","MoKα","","0.0657","0.0522","","","0.1289","0.1363","","","","","","1.004","","","","has coordinates","185082","2020-10-21","18:00:00",""
"1542955","12.492","0.003","9.7027","0.0019","31.799","0.006","90","","94.843","0.003","90","","3840.5","1.4","138","","138","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Cl Fe N2 O3 -","- C38 H60 Cl Fe N2 O3 -","- C152 H240 Cl4 Fe4 N8 O12 -","4","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0417","0.04","","","0.1025","0.1039","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1542956","27.898","0.009","9.683","0.003","23.472","0.008","90","","110.032","0.004","90","","5957","3","168","","168","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H45 Cl Fe N2 O2.5 -","- C30.5 H45 Cl Fe N2 O2.5 -","- C244 H360 Cl8 Fe8 N16 O20 -","8","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0392","0.0375","","","0.0988","0.1006","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1543272","19.533","0.004","7.5052","0.0015","21.247","0.004","90","","90","","90","","3114.8","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth","Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions","Catal. Sci. Technol.","2016","6","11","3723","","10.1039/C5CY01973G","","","0.71073","MoKα","","0.1231","0.0578","","","0.1398","0.1671","","","","","","0.934","","","","has coordinates","185091","2020-10-21","18:00:00",""
"1543573","8.287","0.0001","8.486","0.0001","25.305","0.0005","95.062","0.001","92.854","0.001","97.449","0.001","1754.25","0.05","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H36 F6 N5 O3 P Ru S -","- C30 H36 F6 N5 O3 P Ru S -","- C60 H72 F12 N10 O6 P2 Ru2 S2 -","2","1","","Marcé, Patricia; Paterson, Andrew J.; Mahon, Mary F.; Frost, Christopher G.","Mechanistic insight into ruthenium catalysed meta-sulfonation of 2-phenylpyridine","Catal. Sci. Technol.","2016","6","19","7068","","10.1039/C6CY01254J","","","0.71073","MoKα","","0.0667","0.0439","","","0.0819","0.0883","","","","","","1.035","","","","has coordinates,has disorder","187018","2020-10-21","18:00:00",""
"1544135","12.2298","0.0013","7.6667","0.0008","17.9898","0.0014","90","","125.106","0.005","90","","1379.9","0.2","185","2","185","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H20 F10 N4 Zn -","- C26 H20 F10 N4 Zn -","- C52 H40 F20 N8 Zn2 -","2","0.5","","Li, Xiao-Qing; Wang, Bin; Ji, He-Yuan; Li, Yue-Sheng","Insights into the mechanism for ring-opening polymerization of lactide catalyzed by Zn(C6F5)2/organic superbase Lewis pairs","Catal. Sci. Technol.","2016","6","21","7763","","10.1039/C6CY01587E","","","0.71073","MoKα","","0.0459","0.0372","","","0.0854","0.09","","","","","","1.057","","","","has coordinates","188059","2020-10-21","18:00:00",""
"1544219","15.969","0.0004","10.6225","0.0004","15.6395","0.0005","90","","91.922","0.003","90","","2651.45","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl5 F5 N2 Ru -","- C22 H22 Cl5 F5 N2 Ru -","- C88 H88 Cl20 F20 N8 Ru4 -","4","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0463","0.0351","","","0.0833","0.0997","","","","","","0.859","","","","has coordinates,has disorder","190057","2020-10-21","18:00:00",""
"1544220","11.3681","0.0004","14.3155","0.0007","14.8357","0.0007","62.367","0.005","84.064","0.004","77.725","0.004","2090.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Cl8 N2 Ru -","- C36 H39 Cl8 N2 Ru -","- C72 H78 Cl16 N4 Ru2 -","2","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0766","0.0613","","","0.1725","0.1917","","","","","","1.069","","","","has coordinates,has disorder","190057","2020-10-21","18:00:00",""
"1544266","11.8914","0.0007","12.9438","0.0007","15.3741","0.0009","90","","90","","90","","2366.4","0.2","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","C4","","- C20 H26 Cl2 Co N4 -","- C20 H26 Cl2 Co N4 -","- C80 H104 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0661","0.0633","","","0.1615","0.164","","","","","","1.069","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544267","14.2357","0.0014","8.2893","0.0008","15.2974","0.0017","90","","90","","90","","1805.2","0.3","115","2","114.99","","","","","","","","","5","P b c n","-P 2n 2ab","60","","C6","","- C17 H24 Cl2 Co N4 -","- C17 H24 Cl2 Co N4 -","- C68 H96 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0258","0.0216","","","0.0517","0.054","","","","","","1.06","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544268","11.1898","0.001","8.5968","0.0008","14.2382","0.0013","90","","103.253","0.003","90","","1333.2","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C7","","- C28 H31 Cl2 Co N5 -","- C28 H31 Cl2 Co N5 -","- C56 H62 Cl4 Co2 N10 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0207","0.0193","","","0.0464","0.0468","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1544269","9.0263","0.0011","9.19","0.0011","13.2981","0.0016","83.343","0.003","81.332","0.003","61.722","0.003","959.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","C8","","- C12 H34 Cl2 Co N4 O2 -","- C12 H34 Cl2 Co N4 O2 -","- C24 H68 Cl4 Co2 N8 O4 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0503","0.0488","","","0.1316","0.1333","","","","","","1.081","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544270","11.2962","0.0006","13.9276","0.0008","14.5394","0.0009","90","","90","","90","","2287.5","0.2","108","2","108","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Co(DMPDP)Cl2]","","","- C22 H32 Cl2 Co N4 O -","- C22 H32 Cl2 Co N4 O -","- C88 H128 Cl8 Co4 N16 O4 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0171","0.0168","","","0.0437","0.0438","","","","","","1.092","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544367","9.044","0.0016","9.044","0.0016","40.737","0.01","90","","90","","120","","2885.6","1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H20.24 Cl2 Co N4 O0.12 -","- C19 H20 Cl2 Co N4 O0.122 -","- C114 H120 Cl12 Co6 N24 O0.732 -","6","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.0651","0.0535","","","0.1076","0.1154","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544368","14.188","0.007","6.883","0.003","21.321","0.011","90","","107.131","0.009","90","","1989.7","1.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CoHO-TMPAClCl? CoTMPAClCl","CoBr-TMPACl2","","- C18 H17 Br Cl2 Co N4 -","- C18 H17 Br Cl2 Co N4 -","- C72 H68 Br4 Cl8 Co4 N16 -","4","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.1142","0.0832","","","0.2212","0.2487","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544478","11.4926","0.0016","17.417","0.002","19.109","0.003","90","","103.684","0.002","90","","3716.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N3 O Rh -","- C44 H56 N3 O Rh -","- C176 H224 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.1028","0.0618","","","0.1104","0.1242","","","","","","1.077","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1544479","11.3475","0.0014","17.783","0.002","19.583","0.002","90","","103.994","0.002","90","","3834.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N3 O Rh -","- C45 H58 N3 O Rh -","- C180 H232 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.046","0.0323","","","0.0755","0.0822","","","","","","1.029","","","","has coordinates,has disorder","190059","2020-10-21","18:00:00",""
"1544480","11.4003","0.0006","29.8414","0.0015","16.2873","0.0008","90","","105.512","0.001","90","","5339.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H72 N3 O Rh -","- C63 H72 N3 O Rh -","- C252 H288 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.0393","0.0327","","","0.0767","0.0807","","","","","","1.053","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1553092","10.9605","0.0007","15.9334","0.001","13.4384","0.0008","90","","112.447","0.002","90","","2169","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl Mo N2 O3 -","- C20 H29 Cl Mo N2 O3 -","- C80 H116 Cl4 Mo4 N8 O12 -","4","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0718","0.0464","","","0.1008","0.1116","","","","","","1.033","","","","has coordinates,has disorder","233426","2020-10-21","18:00:00",""
"1553093","58.3972","0.0004","58.3972","0.0004","58.3972","0.0004","90","","90","","90","","199148","2","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C41 H53 Cl17 Mo2 N4 O4 -","- C41 H53 Cl17 Mo2 N4 O4 -","- C3936 H5088 Cl1632 Mo192 N384 O384 -","96","0.5","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0843","0.0545","","","0.1472","0.1751","","","","","","1.082","","","","has coordinates","233426","2020-10-21","18:00:00",""
"1553094","12.2348","0.0008","14.0396","0.0009","14.2351","0.001","92.035","0.003","107.553","0.003","104.751","0.003","2237.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 Mo2 N4 O6 -","- C40 H60 Cl2 Mo2 N4 O6 -","- C80 H120 Cl4 Mo4 N8 O12 -","2","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0722","0.0447","","","0.0956","0.107","","","","","","1.019","","","","has coordinates","233426","2020-10-21","18:00:00",""