# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T01:34:01+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 = 10 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
"1556599","13.2313","0.0009","30.795","0.002","18.556","0.0012","90","","94.183","0.002","90","","7540.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C350 H328 Ag8 Fe4 O30 P16 -","4","2","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0392","0.0316","","","0.0638","0.0672","","","","","","1.089","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556600","24.582","0.003","20.281","0.002","40.461","0.005","90","","90","","90","","20172","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C980 H868 Cu16 Fe8 O56 P48 -","8","1","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0809","0.053","","","0.1197","0.1398","","","","","","1.063","","","","has coordinates,has disorder","257224","2020-10-21","18:00:00",""
"1556927","14.7908","0.0009","7.8079","0.0003","27.592","0.001","90","","99.197","0.003","90","","3145.5","0.3","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 I2 N3 Pd -","- C9 H19 I2 N3 Pd -","- C72 H152 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0756","0.0668","","","0.1728","0.1816","","","","","","0.972","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556928","17.5721","0.0007","12.5994","0.0008","8.4655","0.0004","90","","99.55","0.003","90","","1848.27","0.16","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 I2 N3 Pd -","- C13 H21 I2 N3 Pd -","- C52 H84 I8 N12 Pd4 -","4","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0762","0.0626","","","0.1764","0.1857","","","","","","0.945","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556929","21.6545","0.0007","8.657","0.0002","20.1671","0.0008","90","","95.408","0.003","90","","3763.8","0.2","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 I2 N3 Pd -","- C15 H17 I2 N3 Pd -","- C120 H136 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","0.71073","MoKα","","0.0813","0.044","","","0.1011","0.1489","","","","","","1.01","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556930","9.5333","0.0007","10.964","0.0008","11.3716","0.0007","62.48","0.005","79.571","0.005","67.896","0.005","976.59","0.13","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I2 N3 Pd -","- C16 H19 I2 N3 Pd -","- C32 H38 I4 N6 Pd2 -","2","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0843","0.0642","","","0.1824","0.2174","","","","","","1.047","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1557055","27.001","0.0012","6.0841","0.0003","25.1455","0.0011","90","","108.298","0.002","90","","3922","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 B Cl2 O2 -","- C20 H21 B Cl2 O2 -","- C160 H168 B8 Cl16 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0628","0.042","","","0.1146","0.1241","","","","","","1.034","","","","has coordinates","265223","2021-05-14","14:10:01",""
"1557056","35.07","0.003","6.2286","0.0007","20.596","0.002","90","","119.212","0.005","90","","3926.8","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0989","0.0489","","","0.0999","0.1109","","","","","","1.012","","","","has coordinates","265223","2021-05-14","14:10:12",""
"1557057","25.447","0.003","6.3811","0.0008","24.281","0.003","90","","90","","90","","3942.7","0.8","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","2","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0574","0.045","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","265223","2021-05-14","14:10:14",""
"1557058","13.824","0.003","13.824","0.003","40.089","0.008","90","","90","","120","","6635","2","100","2","100","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C219 H342 B6 Cl6 F24 N24 P24 Rh6 -","6","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.71073","MoKα","","0.0709","0.0567","","","0.14","0.1458","","","","","","1.156","","","","has coordinates,has disorder","257223","2020-10-21","18:00:00",""
"1557059","9.7105","0.0003","14.3281","0.0004","11.2851","0.0003","90","","96.031","0.003","90","","1561.44","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C54 H84 B2 Cl4 F8 N4 P4 Rh2 -","2","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.7107","MoKα","","0.0533","0.0514","","","0.1669","0.1682","","","","","","1.443","","","","has coordinates","257223","2020-10-21","18:00:00",""
"1557155","26.5998","0.0004","13.18144","0.00015","32.7719","0.0004","90","","104.629","0.0014","90","","11118.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H154 Cl N9 O9 Ti2 -","- C112 H148 Cl N7 O9 Ti2 -","- C448 H592 Cl4 N28 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0836","0.0646","","","0.1595","0.1677","","","","","","1.087","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557156","11.0509","0.0002","9.6943","0.00018","14.8668","0.0003","90","","108.131","0.002","90","","1513.61","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O2 Ti -","- C30 H44 Cl2 O2 Ti -","- C60 H88 Cl4 O4 Ti2 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0297","0.0293","","","0.0762","0.0765","","","","","","1.067","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557157","17.651","0.0002","18.2749","0.0002","19.8507","0.0002","67.4531","0.0011","68.6833","0.0011","73.3966","0.0012","5428.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","1","0.5","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71075","MoKα","","0.0809","0.0744","","","0.2242","0.2307","","","","","","1.036","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557158","17.4371","0.0007","17.7765","0.0004","21.1345","0.0004","100.63","0.002","93.526","0.003","104.426","0.003","6195.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C250 H345 Cl2 N17 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1417","0.0986","","","0.2587","0.2928","","","","","","1.022","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557159","12.5697","0.0002","18.1183","0.0004","27.5282","0.0003","104.559","0.0015","98.781","0.0013","102.093","0.0018","5792.04","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H164 Cl2 N6 O8 Ti2 -","- C115 H152 Cl2 N3.5 O8 Ti2 -","- C230 H304 Cl4 N7 O16 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1083","0.0925","","","0.2464","0.2596","","","","","","1.072","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557160","13.9465","0.0002","17.4744","0.0003","23.5392","0.0002","85.6028","0.0011","74.2347","0.0012","74.5316","0.0014","5320.83","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H140 Cl N7 O9 Ti2 -","- C102.6 H131.9 Cl N4.3 O9 Ti2 -","- C205.2 H263.8 Cl2 N8.6 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0967","0.0936","","","0.2616","0.2645","","","","","","1.093","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557161","16.3253","0.0004","17.3213","0.0003","23.5069","0.0003","102.481","0.002","91.495","0.002","101.593","0.002","6340.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.71 H174.42 Cl N2.85 O11.43 Ti2 -","- C130.704 H173.556 Cl N2.8521 O11.432 Ti2 -","- C261.408 H347.113 Cl2 N5.7042 O22.864 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.1361","0.0718","","","0.1777","0.2075","","","","","","1.021","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557162","26.6007","0.0004","13.18235","0.00014","32.7812","0.0005","90","","104.622","0.0017","90","","11122.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C452 H598 Cl4 N30 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0944","0.0754","","","0.1944","0.2043","","","","","","1.114","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557163","12.14575","0.00013","18.0271","0.0002","21.0909","0.0002","95.2564","0.0009","105.355","0.0009","90.2869","0.0009","4432.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Cl N2 O4 Ti -","- C49 H61 Cl N2 O4 Ti -","- C196 H244 Cl4 N8 O16 Ti4 -","4","2","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0408","0.0386","","","0.1092","0.1107","","","","","","1.068","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557164","43.9803","0.0004","12.41683","0.00017","19.4608","0.0002","90","","94.9954","0.001","90","","10587.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cl2 N2 O4 Ti -","- C54 H72 Cl2 N2 O4 Ti -","- C432 H576 Cl16 N16 O32 Ti8 -","8","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0454","0.0413","","","0.1156","0.1182","","","","","","1.069","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557173","17.31801","0.00012","12.99024","0.0001","19.71788","0.00016","90","","94.4442","0.0007","90","","4422.5","0.06","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54.28 H49.13 Ir O0.28 P3 -","- C54.283 H49.132 Ir O0.283 P3 -","- C217.132 H196.528 Ir4 O1.132 P12 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0237","0.0199","","","0.0458","0.048","","","","","","1.047","","","","has coordinates","254859","2020-10-21","18:00:00",""
"1557174","12.9317","0.0002","16.6","0.0003","25.5365","0.0004","90","","90.2757","0.0013","90","","5481.76","0.16","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H68 Cl2 Ir2 N4 O S2 -","- C57 H68 Cl2 Ir2 N4 O S2 -","- C228 H272 Cl8 Ir8 N16 O4 S8 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0357","0.0299","","","0.0678","0.0712","","","","","","1.036","","","","has coordinates,has disorder","254859","2020-10-21","18:00:00",""
"1557528","13.126","0.004","25.198","0.007","30.034","0.008","113.698","0.004","101.194","0.004","90.634","0.004","8879","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H72 Cd Mo12 N6 O68 P8 Zn2 -","- C39 H54 Cd Mo12 N6 O62 P8 Zn2 -","- C156 H216 Cd4 Mo48 N24 O248 P32 Zn8 -","4","2","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0798","0.0601","","","0.1644","0.1838","","","","","","1.044","","","","has coordinates","257209","2020-10-21","18:00:00",""
"1557529","21.0842","0.0006","18.3743","0.0005","21.9022","0.0006","90","","100.716","0.003","90","","8337.1","0.4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C104 H96 Cd4.8 Co3.2 Mo48 N16 Na16 O276 P32 -","4","0.5","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0494","0.0429","","","0.1165","0.1205","","","","","","1.039","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557530","15.882","0.0018","21.676","0.002","25.338","0.003","90","","94.559","0.002","90","","8695.2","1.6","296","2","296","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C65 H116 Al2 Cd2 Mo24 N10 O137 P16 -","- C65 H86 Al2 Cd2 Mo24 N10 O137 P16 -","- C130 H172 Al4 Cd4 Mo48 N20 O274 P32 -","2","1","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0374","0.0334","","","0.0883","0.0925","","","","","","1.057","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557594","9.5079","0.0007","32.3832","0.0014","13.8528","0.0012","90","","110.045","0.01","90","","4006.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Co N4 O4 -","- C16 H22 Cl2 Co N4 O4 -","- C128 H176 Cl16 Co8 N32 O32 -","8","2","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.062","0.05","","","0.1143","0.1215","","","","","","1.073","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557595","12.2832","0.0008","7.3066","0.0005","22.5865","0.0014","90","","95.779","0.006","90","","2016.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 Co N4 O4 -","- C17 H22 Cl2 Co N4 O4 -","- C68 H88 Cl8 Co4 N16 O16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0621","0.0475","","","0.1157","0.1244","","","","","","1.049","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557596","9.8205","0.0009","14.0434","0.0011","26.706","0.002","90","","90","","90","","3683.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 B Cl Co N4 -","- C41 B Cl Co N4 -","- C164 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0925","0.0828","","","0.2308","0.2458","","","","","","1.111","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557597","16.0327","0.0009","10.7162","0.0006","22.6792","0.0012","90","","107.025","0.006","90","","3725.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 B Cl Co N4 -","- C43 H46 B Cl Co N4 -","- C172 H184 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0736","0.0453","","","0.0962","0.1096","","","","","","1.01","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557658","13.612","0.003","13.537","0.002","14.409","0.003","90","","109.931","0.006","90","","2496.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl10 Fe4 N6 O9 -","- C36 H46 Cl10 Fe4 N6 O9 -","- C72 H92 Cl20 Fe8 N12 O18 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0979","0.0867","","","0.2206","0.2273","","","","","","1.116","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557659","11.8719","0.0006","16.9617","0.0008","9.4064","0.0005","90","","102.136","0.002","90","","1851.81","0.16","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl4 Fe2 N6 O10 -","- C32 H40 Cl4 Fe2 N6 O10 -","- C64 H80 Cl8 Fe4 N12 O20 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0639","0.0487","","","0.11","0.1185","","","","","","1.04","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557722","9.437","0.0002","10.4908","0.0003","18.5143","0.0004","96.9776","0.0019","99.2858","0.0019","104.161","0.002","1728.97","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O6 P2 -","- C36 H46 N4 O6 P2 -","- C72 H92 N8 O12 P4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","0.71073","MoKα","","0.0439","0.0387","","","0.0937","0.0974","","","","","","1.018","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557723","8.1545","0.0003","11.7917","0.0005","16.3115","0.0004","107.981","0.003","96.136","0.003","103.72","0.003","1421.47","0.1","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Br2 Co N4 O7 S2 -","- C27 H30 Br2 Co N4 O7 S2 -","- C54 H60 Br4 Co2 N8 O14 S4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0499","0.0412","","","0.1032","0.1077","","","","","","1.03","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557724","8.0833","0.0001","11.8214","0.0001","13.6272","0.0001","90","","95.751","0.001","90","","1295.61","0.02","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 Co N4 O4 -","- C26 H28 Br2 Co N4 O4 -","- C52 H56 Br4 Co2 N8 O8 -","2","0.5","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0928","0.0942","","","","","","1.081","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557862","18.8949","0.0006","10.1078","0.0004","23.9918","0.0007","90","","90","","90","","4582.1","0.3","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H35 Al N6 -","- C20 H35 Al N6 -","- C160 H280 Al8 N48 -","8","2","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.0751","0.0463","","","0.0949","0.1064","","","","","","1.003","","","","has coordinates","257207","2020-10-21","18:00:00",""
"1557863","18.637","0.003","9.384","0.0019","26.354","0.004","90","","125.325","0.0012","90","","3760.4","1.1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H44 Al2 N6 -","- C33.5 H44 Al2 N6 -","- C134 H176 Al8 N24 -","4","1","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.2079","0.0827","","","0.2149","0.2845","","","","","","0.983","","","","has coordinates,has disorder","257207","2020-10-21","18:00:00",""
"1557983","8.5663","0.0003","11.0966","0.0004","24.1272","0.0009","90","","98.595","0.001","90","","2267.7","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br Ir N3 O -","- C23 H33 Br Ir N3 O -","- C92 H132 Br4 Ir4 N12 O4 -","4","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.0236","","","0.049","0.0514","","","","","","1.019","","","","has coordinates","257206","2020-10-21","18:00:00",""
"1557984","9.2294","0.0009","11.1211","0.0011","11.892","0.0019","99.157","0.001","110.946","0.002","114.394","0.001","968.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Br Ir N3 O3 -","- C17 H21 Br Ir N3 O3 -","- C34 H42 Br2 Ir2 N6 O6 -","2","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.029","","","0.0727","0.074","","","","","","1.061","","","","has coordinates,has disorder","257206","2020-10-21","18:00:00",""
"1558022","13.3705","0.0002","7.2739","0.0001","31.8622","0.0005","90","","90","","90","","3098.78","0.08","170","2","170.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min","Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies","Catalysis Science & Technology","2020","10","12","3959","3964","10.1039/D0CY00092B","","","1.34139","GaKα","","0.0351","0.0331","","","0.0861","0.0877","","","","","","1.069","","","","has coordinates","257222","2020-10-21","18:00:00",""
"1558045","9.1084","0.0006","11.7267","0.0007","16.3308","0.0009","85.341","0.002","89.88","0.002","70.285","0.002","1636.05","0.17","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H22 F9 Fe N10 O9 S3 -","- C23 H22 F9 Fe N10 O9 S3 -","- C46 H44 F18 Fe2 N20 O18 S6 -","2","1","","Dyckhoff, Florian; Schlagintweit, Jonas F.; Reich, Robert M.; Kühn, Fritz E.","Pushing the limits of activity and stability: the effects of Lewis acids on non-heme iron‒NHC epoxidation catalysts","Catalysis Science & Technology","2020","10","11","3532","3536","10.1039/D0CY00631A","","x-ray","0.71073","MoKα","","0.065","0.0635","","","0.1688","0.17","","","","","","1.046","","","","has coordinates","257218","2020-10-21","18:00:00",""
"1558072","14.6069","0.0006","8.871","0.0004","12.0927","0.0008","90","","90.801","0.003","90","","1566.79","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N2 O4 Re -","- C15 H19 N2 O4 Re -","- C60 H76 N8 O16 Re4 -","4","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0406","0.0354","","","0.0886","0.0913","","","","","","1.054","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558073","23.927","0.0007","9.4928","0.0003","22.1646","0.0007","90","","106.575","0.002","90","","4825.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 N2 O4 Re -","- C23 H35 N2 O4 Re -","- C184 H280 N16 O32 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0503","0.0296","","","0.0562","0.0611","","","","","","1.012","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558074","8.90063","0.00016","11.9803","0.0003","31.8099","0.0007","90","","90","","90","","3391.96","0.13","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N3 O6 Re -","- C15 H18 N3 O6 Re -","- C120 H144 N24 O48 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0402","0.0229","","","0.0403","0.0443","","","","","","1.028","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558149","20.1441","0.0007","12.2778","0.0004","11.4937","0.0004","90","","92.993","0.001","90","","2838.8","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N2 O10 S2 -","- C28 H24 Co N2 O10 S2 -","- C112 H96 Co4 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0307","0.0273","","","0.0684","0.0712","","","","","","1.054","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558150","20.1868","0.0004","12.2668","0.0003","11.4817","0.0002","90","","92.862","0.002","90","","2839.64","0.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C112 H96 Co3.16 Fe0.84 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","1.54184","CuKα","","0.0341","0.0325","","","0.0878","0.0892","","","","","","0.996","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558151","20.1616","0.0004","12.1398","0.0004","11.4274","0.0003","90","","92.792","0.001","90","","2793.63","0.13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C112 H96 Co1.16 N8 Ni2.84 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0274","0.0256","","","0.0638","0.0649","","","","","","1.078","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558164","11.7394","0.0001","14.7656","0.0002","14.6955","0.0002","90","","108.172","0.001","90","","2420.26","0.05","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Cl F6 N2 O P Ru Sb -","- C16 H29 Cl F6 N2 O P Ru Sb -","- C64 H116 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.037","0.0323","","","0.0782","0.0816","","","","","","1.03","","","","has coordinates,has disorder","257220","2020-10-21","18:00:00",""
"1558165","8.3717","0.0003","21.574","0.0006","14.8558","0.0006","90","","105.025","0.004","90","","2591.39","0.16","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cl F6 N2 O P Ru Sb -","- C17 H31 Cl F6 N2 O P Ru Sb -","- C68 H124 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.0705","0.0584","","","0.1477","0.1647","","","","","","1.043","","","","has coordinates","257220","2020-10-21","18:00:00",""
"1558270","22.6283","0.0013","8.7736","0.0005","18.5643","0.001","90","","105.17","0.002","90","","3557.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.98 H100.97 Fe2 N4 O7.98 Ti2 -","- C70.916 H100.82 Fe2 N4 O7.96 Ti2 -","- C141.832 H201.64 Fe4 N8 O15.92 Ti4 -","2","0.5","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0582","0.0496","","","0.1381","0.1468","","","","","","1.027","","","","has coordinates,has disorder","258777","2020-11-06","10:41:22",""
"1558271","22.8642","0.0012","9.1582","0.0005","19.4463","0.001","90","","106.447","0.001","90","","3905.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57.63 Fe N2 O4 Zr -","- C39 H57.623 Fe N2 O4 Zr -","- C156 H230.492 Fe4 N8 O16 Zr4 -","4","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0437","0.0353","","","0.0841","0.0888","","","","","","1.011","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558272","9.0808","0.0008","9.9464","0.0008","21.5037","0.0018","93.147","0.003","91.175","0.003","115.995","0.002","1741","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.51 H58.93 N2 O4 Zr -","- C31.522 H58.94 N2 O4 Zr -","- C63.044 H117.88 N4 O8 Zr2 -","2","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.055","0.0459","","","0.1051","0.1102","","","","","","0.918","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558273","26.1034","0.0016","13.6068","0.0008","18.7389","0.0011","90","","90.427","0.002","90","","6655.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H58 N2 O4 Ti -","- C30.5 H57.5 N2 O4 Ti -","- C244 H460 N16 O32 Ti8 -","8","2","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0744","0.0656","","","0.1482","0.1522","","","","","","1.185","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558490","26.2086","0.0008","27.5599","0.0008","28.9629","0.0008","90","","90","","90","","20920.1","1.1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C760 H832 B16 Cl16 Co16 F80 O96 P48 -","8","1","","Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias","Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines","Catalysis Science & Technology","2020","10","18","6116","6128","10.1039/D0CY01078B","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1345","","","","","","1.028","","","","has coordinates,has disorder","257217","2020-10-21","18:00:00",""
"1558540","7.1672","0.0003","13.7037","0.0005","17.9697","0.0008","90","","90","","90","","1764.93","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 N Ru -","- C19 H21 Cl2 N Ru -","- C76 H84 Cl8 N4 Ru4 -","4","1","","Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram","One-pot dual catalysis for the hydrogenation of heteroarenes and arenes","Catalysis Science & Technology","2020","10","15","5163","5170","10.1039/D0CY00928H","","x-ray","0.71073","MoKα","","0.0273","0.0232","","","0.0463","0.0477","","","","","","1.06","","","","has coordinates","257216","2020-10-21","18:00:00",""
"1558696","10.1037","0.0006","11.6662","0.0007","23.623","0.0015","90","","97.789","0.002","90","","2758.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Cl Ir N -","- C30 H47 Cl Ir N -","- C120 H188 Cl4 Ir4 N4 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","1.34139","GaKα","","0.0487","0.0461","","","0.1211","0.1231","","","","","","1.146","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558697","9.4294","0.0003","15.2306","0.0004","16.4958","0.0005","90","","94.904","0.001","90","","2360.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Cl I0 Ir N O2 -","- C24 H35 Cl Ir N O2 -","- C96 H140 Cl4 Ir4 N4 O8 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","0.71073","MoKα","","0.0245","0.0198","","","0.0469","0.049","","","","","","0.969","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1559097","8.7417","0.0005","11.0177","0.0006","19.073","0.0011","90","","101.123","0.006","90","","1802.48","0.18","199.9","0.2","199.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0689","0.0509","","","0.1227","0.1331","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559098","8.9007","0.0004","11.1893","0.0004","18.1967","0.0007","90","","93.764","0.004","90","","1808.35","0.13","199.9","0.2","199.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N -","- C23 H19 F2 N -","- C92 H76 F8 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0638","0.0498","","","0.1323","0.1425","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559113","15.1464","0.0002","16.9612","0.0002","26.1549","0.0002","90","","103.943","0.001","90","","6521.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H89 In N2 O3 P2 -","- C65 H89 In N2 O3 P2 -","- C260 H356 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0312","0.0275","","","0.0699","0.0722","","","","","","1.025","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559114","11.4385","0.0004","15.3688","0.0005","15.4343","0.0005","83.413","0.003","78.85","0.003","78.526","0.003","2600.66","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 N2 O2 P2 -","- C50 H74 N2 O2 P2 -","- C100 H148 N4 O4 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0548","0.0451","","","0.1199","0.1289","","","","","","1.027","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559115","11.128","0.0001","18.2363","0.0002","30.9376","0.0004","90","","90","","90","","6278.28","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H85 In N2 O5 P2 -","- C57 H85 In N2 O5 P2 -","- C228 H340 In4 N8 O20 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0281","0.0255","","","0.0615","0.0628","","","","","","1.031","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559116","20.6809","0.0002","18.5748","0.0002","15.7154","0.0002","90","","90","","90","","6036.97","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H87 In N2 O4 P2 -","- C65 H87 In N2 O4 P2 -","- C260 H348 In4 N8 O16 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0291","0.027","","","0.0692","0.0707","","","","","","1.067","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559117","10.9894","0.0002","28.7519","0.001","19.81","0.0004","90","","91.214","0.002","90","","6257.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 In N2 O3 P2 -","- C63 H102 In N2 O3 P2 -","- C252 H408 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0803","0.0584","","","0.1442","0.1581","","","","","","1.026","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559118","14.2993","0.0006","14.3196","0.0006","17.8201","0.0006","105.16","0.004","107.065","0.004","96.826","0.004","3290.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H77 In N2 O3 P2 -","- C52 H77 In N2 O3 P2 -","- C104 H154 In2 N4 O6 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0887","0.0671","","","0.1656","0.1842","","","","","","0.987","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559240","9.1926","0.0006","18.6959","0.0012","18.8899","0.0012","93.315","0.002","103.878","0.0019","98.222","0.002","3105","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Co O4 P -","- C18 H32 Co O4 P -","- C108 H192 Co6 O24 P6 -","6","3","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0437","0.0352","","","0.0867","0.0936","","","","","","1.016","","","","has coordinates,has disorder","260596","2021-01-07","04:17:32",""
"1559241","8.808","0.0009","11.2727","0.0011","11.4608","0.0011","87.2767","0.0016","86.0751","0.0016","81.5105","0.0016","1122.03","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 Co F18 O4 P -","- C15 H8 Co F18 O4 P -","- C30 H16 Co2 F36 O8 P2 -","2","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.029","0.0273","","","0.0675","0.0691","","","","","","1.043","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559242","9.342","0.0004","12.6826","0.0006","22.4709","0.001","90","","93.041","0.0014","90","","2658.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co O6 P -","- C27 H40 Co O6 P -","- C108 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0335","0.0304","","","0.075","0.0766","","","","","","1.092","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559243","10.925","0.0002","12.6105","0.0002","20.1341","0.0003","90","","104.561","0.0005","90","","2684.77","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Co O6 P -","- C24 H40 Co O6 P -","- C96 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0296","0.0258","","","0.0678","0.0705","","","","","","1.023","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559244","17.748","0.002","8.4442","0.0011","16.239","0.002","90","","91.117","0.002","90","","2433.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Co N2 O6 P -","- C21 H34 Co N2 O6 P -","- C84 H136 Co4 N8 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0347","0.0275","","","0.0699","0.0737","","","","","","1.028","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559245","10.7864","0.0006","11.5313","0.0007","22.3359","0.0013","90","","90","","90","","2778.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Co N O5 P -","- C33 H29 Co N O5 P -","- C132 H116 Co4 N4 O20 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0268","0.0247","","","0.0599","0.0612","","","","","","1.052","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559279","35.7359","0.0009","12.1275","0.0002","27.9938","0.0007","90","","112.354","0.002","90","","11220.4","0.5","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C464 H424 Cl24 Cu8 F48 N16 O40 P24 -","8","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","","0.71073","MoKα","","0.0607","0.0432","","","0.1157","0.1218","","","","","","0.938","","","","has coordinates,has disorder","259600","2020-12-06","13:07:17",""
"1559280","11.4434","0.0001","20.2661","0.0002","27.9804","0.0004","90","","99.805","0.001","90","","6394.24","0.13","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H40 Cu F18 N2 O P3 -","- C57 H40 Cu F18 N2 O P3 -","- C228 H160 Cu4 F72 N8 O4 P12 -","4","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","x-ray","1.54184","CuKα","","0.0798","0.0786","","","0.1611","0.1615","","","","","","1.173","","","","has coordinates","259600","2020-12-06","13:07:18",""
"1559301","12.5519","0.0009","23.6646","0.0018","16.9746","0.0012","90","","94.02","0.002","90","","5029.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Cy2NNN)RuCl2(CO)","","- C21.5 H32 Cl2 N3 O2.5 Ru -","- C21.5 H30 Cl2 N3 O2.5 Ru -","- C172 H240 Cl16 N24 O20 Ru8 -","8","2","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0989","0.0672","","","0.1315","0.1572","","","","","","0.925","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559302","9.2304","0.0005","10.8098","0.0006","18.2395","0.0011","90","","96.278","0.002","90","","1809","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(iPr2NNN)RuCl2(CO)","","- C14 H21 Cl2 N3 O2 Ru -","- C14 H21 Cl2 N3 O2 Ru -","- C56 H84 Cl8 N12 O8 Ru4 -","4","1","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0455","0.0376","","","0.0872","0.0939","","","","","","1.042","","","","has coordinates","260595","2021-01-07","04:17:16",""