# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-26T01:35:59+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Catalysis Science & Technology') AND volume = 11 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
"1559556","13.346","0.002","17.309","0.003","23.753","0.004","86.026","0.002","89.28","0.002","76.624","0.002","5325.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H156 O28 Si14 Zr2 -","- C68 H156 O28 Si14 Zr2 -","- C136 H312 O56 Si28 Zr4 -","2","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.063","0.0457","","","0.1013","0.1101","","","","","","1.114","","","","has coordinates,has disorder","301780","2025-08-18","21:43:40",""
"1559557","20.0054","0.0014","24.0516","0.0017","27.5739","0.0019","90","","90","","90","","13267.5","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 O28 Si14 Zr2 -","- C96 H184 O28 Si14 Zr2 -","- C384 H736 O112 Si56 Zr8 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0536","0.0345","","","0.0775","0.0878","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:41",""
"1559558","18.563","0.004","22.017","0.004","26.445","0.005","90","","90","","90","","10808","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H156 Hf2 O28 Si14 -","- C68 H156 Hf2 O28 Si14 -","- C272 H624 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.1111","0.0503","","","0.107","0.1295","","","","","","0.999","","","","has coordinates,has disorder","301780","2025-08-18","21:43:41",""
"1559559","20.061","0.004","24.064","0.005","27.568","0.005","90","","90","","90","","13308","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 Hf2 O28 Si14 -","- C96 H184 Hf2 O28 Si14 -","- C384 H736 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0341","0.0243","","","0.0558","0.0617","","","","","","1.066","","","","has coordinates,has disorder","301780","2025-08-18","21:43:41",""
"1559560","13.4214","0.0003","14.2596","0.0005","25.2549","0.0007","85.709","0.003","78.946","0.002","69.251","0.003","4435.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H109 N9 Na2 O11 V2 -","- C86 H109 N9 Na2 O11 V2 -","- C172 H218 N18 Na4 O22 V4 -","2","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1354","0.0988","","","0.216","0.2326","","","","","","1.127","","","","has coordinates,has disorder","301780","2025-08-18","21:43:41",""
"1559561","12.0966","0.0002","12.3373","0.0002","17.8971","0.0003","90.8728","0.0008","107.997","0.0007","99.2458","0.0008","2501.28","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.6939","synchrotron","","0.0853","0.0589","","","0.1637","0.1852","","","","","","1.033","","","","has coordinates,has disorder","301780","2025-08-18","21:43:41",""
"1559562","19.7039","0.0009","20.0862","0.0007","20.6921","0.001","90","","113.114","0.005","90","","7532","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H90 Cl2 N2 O8 V2 -","- C80 H90 Cl2 N2 O8 V2 -","- C320 H360 Cl8 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54184","CuKα","","0.1995","0.085","","","0.1975","0.2471","","","","","","1.016","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559563","14.0354","0.0001","17.3396","0.0001","20.1906","0.0001","71.168","0.001","84.459","0.001","66.456","0.001","4260.59","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.053","0.0494","","","0.1442","0.1501","","","","","","1.044","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559564","12.4983","0.0004","13.6976","0.0002","14.1554","0.0003","68.166","0.002","79.128","0.002","75.546","0.002","2165.92","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.0421","0.0407","","","0.1308","0.1319","","","","","","1.116","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559565","20.0005","0.0013","19.9315","0.0008","22.023","0.002","90","","116.08","0.01","90","","7885.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H90 F6 N2 O8 V2 -","- C82 H90 F6 N2 O8 V2 -","- C328 H360 F24 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71075","MoKα","","0.1928","0.0964","","","0.2235","0.2734","","","","","","1.023","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559566","19.7899","0.0003","20.6775","0.0003","22.7696","0.0005","69.271","0.002","76.567","0.002","78.627","0.001","8407.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1417","0.0881","","","0.223","0.2564","","","","","","1.026","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559567","11.8773","0.0006","12.8721","0.0005","14.5308","0.0006","97.115","0.003","92.063","0.004","98.641","0.004","2176.04","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl2 Co F5 N3 -","- C49 H38 Cl2 Co F5 N3 -","- C98 H76 Cl4 Co2 F10 N6 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","0.71073","MoKα","","0.1013","0.0515","","","0.1174","0.1438","","","","","","1.021","","","","has coordinates","261519","2021-02-04","22:24:06",""
"1559568","20.2887","0.0002","22.5854","0.0002","30.0093","0.0002","94.052","0.001","105.348","0.001","102.898","0.001","12802.4","0.2","169.99","0.14","169.99","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C260 H220 Cl10 Co5 F25 N15 -","- C260 H220 Cl10 Co5 F25 N15 -","- C520 H440 Cl20 Co10 F50 N30 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","1.54184","CuKα","","0.1415","0.0862","","","0.2048","0.2442","","","","","","1.037","","","","has coordinates,has disorder","261519","2021-02-04","22:24:06",""
"1559569","12.4888","0.0001","16.9952","0.0002","19.3546","0.0002","69.171","0.001","75.05","0.001","81.715","0.001","3703.33","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C75 H60 B Cl2 F24 N3 Pd -","- C75 H60 B Cl2 F24 N3 Pd -","- C150 H120 B2 Cl4 F48 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0508","0.0501","","","0.1295","0.1302","","","","","","1.025","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559570","12.8172","0.0002","18.0795","0.0003","16.7528","0.0003","90","","96.977","0.001","90","","3853.36","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Br2 Cl N2 Pd -","- C41 H45 Br2 Cl N2 Pd -","- C164 H180 Br8 Cl4 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0594","0.0532","","","0.1458","0.1538","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559571","11.7251","0.0004","18.4561","0.0006","19.821","0.0006","90","","101.805","0.003","90","","4198.5","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Cl3 N2 O2 Pd -","- C44 H53 Cl3 N2 O2 Pd -","- C176 H212 Cl12 N8 O8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.076","0.0631","","","0.1557","0.1636","","","","","","1.117","","","","has coordinates","261517","2021-02-04","22:23:27",""
"1559572","11.0716","0.0004","16.373","0.0006","21.6279","0.0007","89.42","0.003","76.403","0.003","88.652","0.003","3809.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H45 Cl3 N2 Pd -","- C41 H45 Cl3 N2 Pd -","- C164 H180 Cl12 N8 Pd4 -","4","2","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.08","0.0688","","","0.1742","0.182","","","","","","1.108","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559573","13.006","0.0004","16.863","0.0005","19.2164","0.0006","98.154","0.002","96.07","0.002","99.498","0.002","4078.6","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H67 B F24 I2 N3 Pd -","- C78 H67 B F24 I2 N3 Pd -","- C156 H134 B2 F48 I4 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0727","0.0635","","","0.1706","0.1843","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559574","14.4315","0.0006","16.2211","0.0006","18.6665","0.0008","109.704","0.004","107.844","0.004","95.369","0.003","3820.3","0.3","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C154.5 H133 B2 Cl F48 N6 O4 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0973","0.0767","","","0.2011","0.2201","","","","","","1.074","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559575","10.0308","0.0002","19.7307","0.0004","20.2309","0.0004","90","","101.055","0.002","90","","3929.69","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Cl I2 N2 Pd -","- C41 H45 Cl I2 N2 Pd -","- C164 H180 Cl4 I8 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.0638","0.0447","","","0.0927","0.1004","","","","","","1.056","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559893","15.797","0.0011","10.6695","0.0007","7.533","0.0005","90","","91.679","0.003","90","","1269.11","0.15","149.97","","149.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 O -","- C12 H14 Br2 O -","- C48 H56 Br8 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0495","0.0338","","","0.0772","0.0855","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559894","14.654","0.0014","7.0476","0.0007","17.0806","0.0019","90","","91.653","0.004","90","","1763.3","0.3","149.95","","149.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N6 O -","- C18 H22 N6 O -","- C72 H88 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0903","0.0462","","","0.0985","0.1202","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559895","5.4266","0.0005","52.494","0.005","8.032","0.0008","90","","107.835","0.003","90","","2178.1","0.4","99.57","","99.57","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N6 O -","- C23 H32 N6 O -","- C92 H128 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0511","0.0425","","","0.1063","0.1091","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559971","8.4055","0.0006","18.3319","0.0012","15.0466","0.001","90","","92.57","0.002","90","","2316.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Fe N2 O4 Si2 -","- C20 H30 Fe N2 O4 Si2 -","- C80 H120 Fe4 N8 O16 Si8 -","4","1","","Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita","Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation","Catalysis Science & Technology","2021","11","4","1407","1418","10.1039/D0CY02329A","","","0.71073","MoKα","","0.0838","0.0751","","","0.1296","0.1319","","","","","","1.421","","","","has coordinates","262466","2021-03-05","01:14:10",""
"1560073","5.656","0.0003","8.202","0.0004","16.2422","0.0009","90","","92.949","0.002","90","","752.49","0.07","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,E)-4-(4-methoxybenzylidene)-3-phenyltetrahydrofuran-3-ol","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0893","0.0562","","","0.1274","0.1487","","","","","","1.049","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560074","6.5109","0.0008","8.5749","0.0012","26.234","0.004","90","","90","","90","","1464.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-3-benzyl-4-benzylidenetetrahydrofuran-3-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0752","0.0551","","","0.1249","0.1397","","","","","","1.028","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560075","8.9958","0.0001","12.8818","0.0001","19.2304","0.0002","90","","96.615","0.001","90","","2213.62","0.04","150.01","0.15","150.01","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Al N2 O6 -","- C23 H27 Al N2 O6 -","- C92 H108 Al4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0335","0.0312","","","0.0812","0.083","","","","","","1.045","","","","has coordinates","263610","2021-04-05","13:49:35",""
"1560076","8.9996","0.0001","12.8364","0.0002","19.0472","0.0003","90","","96.745","0.001","90","","2185.15","0.05","150","0.16","150","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Co N2 O6 -","- C23 H27 Co N2 O6 -","- C92 H108 Co4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0375","0.0337","","","0.0807","0.083","","","","","","1.072","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560077","7.869","0.0001","15.7511","0.0002","17.6113","0.0003","90","","90","","90","","2182.84","0.05","149.98","0.18","149.98","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Al N2 O4 -","- C23 H29 Al N2 O4 -","- C92 H116 Al4 N8 O16 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.0957","0.098","","","","","","1.039","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560115","18.363","0.005","3.83","0.0009","14.745","0.003","90","","90","","90","","1037","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H8 Mo N4 O4 -","- C6 H6 Mo N4 O4 -","- C24 H24 Mo4 N16 O16 -","4","0.5","","Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands","Catalysis Science & Technology","2021","11","6","2214","2228","10.1039/D1CY00055A","","","0.71073","MoKα","","0.1075","0.0574","","","0.123","0.1405","","","","","","1.188","","","","has coordinates","263612","2021-04-05","13:49:54",""
"1560129","7.2473","0.0001","12.2693","0.0002","10.9251","0.0001","90","","90.353","0.001","90","","971.43","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C44 H38 N2 O6 S2 Se2 -","2","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.54178","CuKα","","0.0306","0.0304","","","0.081","0.0812","","","","","","0.989","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560130","5.8297","0.0004","16.2078","0.001","20.9813","0.0013","90","","93.402","0.003","90","","1979","0.2","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C88 H76 N4 O12 S4 Se4 -","4","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.34139","GaKα","","0.065","0.0625","","","0.1592","0.1612","","","","","","1.045","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560262","16.268","0.003","17.763","0.003","23.082","0.004","87.715","0.01","81.35","0.01","66.621","0.009","6051.3","1.9","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C228 H292 Cl8 N8 O14 P8 Ru4 -","4","4","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1214","0.0836","","","0.2425","0.2708","","","","","","1.062","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560263","14.0362","0.0013","14.0362","0.0013","55.098","0.007","90","","90","","90","","10855","2","193","2","193","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C440 H544 Cl16 N16 O24 P16 Ru8 -","8","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0823","0.0569","","","0.131","0.1416","","","","","","1.028","","","","has coordinates","264853","2021-05-05","07:55:38",""
"1560264","14.485","0.003","13.276","0.003","16.008","0.004","90","","104.344","0.006","90","","2982.4","1.2","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C110 H136 Cl4 N4 O6 P4 Ru2 -","2","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0284","0.0266","","","0.0702","0.0708","","","","","","1.219","","","","has coordinates","264853","2021-05-05","07:55:40",""
"1560265","29.604","0.014","12.869","0.004","29.396","0.014","90","","114.68","0.02","90","","10176","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H58 Cl4 N2 O5 P2 Ru -","- C50 H58 Cl4 N2 O5 P2 Ru -","- C400 H464 Cl32 N16 O40 P16 Ru8 -","8","2","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1347","0.0617","","","0.1278","0.1524","","","","","","1.015","","","","has coordinates","264853","2021-05-05","07:55:41",""
"1560266","13.3642","0.0003","15.0349","0.0003","18.4697","0.0004","89.212","0.001","76.738","0.001","66.771","0.001","3307.09","0.13","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","1","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0361","0.0317","","","0.0901","0.0926","","","","","","1.052","","","","has coordinates,has disorder","264853","2021-05-05","07:55:41",""
"1560480","11.9618","0.0003","16.8603","0.0004","23.0411","0.0006","90","","90","","90","","4646.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","n-Butyltin(IV) benzoate","","- C25 H24 O6 Sn -","- C25 H24 O6 Sn -","- C200 H192 O48 Sn8 -","8","1","","Wolzak, Lukas A.; Hermans, Joen J.; de Vries, Folkert; van den Berg, Keimpe J.; Reek, Joost N. H.; Tromp, Moniek; Korstanje, Ties J.","Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification","Catalysis Science & Technology","2021","11","10","3326","3332","10.1039/D1CY00184A","","","0.71073","MoKα","","0.0478","0.0277","","","0.0497","0.0553","","","","","","1.049","","","","has coordinates","265830","2021-06-05","17:10:18",""
"1560497","8.2268","0.0003","14.3426","0.0006","14.7546","0.0006","90","","90","","90","","1740.95","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl Ir N O2 -","- C18 H23 Cl Ir N O2 -","- C72 H92 Cl4 Ir4 N4 O8 -","4","1","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0147","0.0145","","","0.033","0.033","","","","","","1.189","","","","has coordinates","264852","2021-05-05","07:54:59",""
"1560498","8.7487","0.001","17.713","0.002","20.308","0.003","73.261","0.004","89.913","0.004","83.794","0.004","2994.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl4 F2 Ir2 -","- C30 H32 Cl4 F2 Ir2 -","- C120 H128 Cl16 F8 Ir8 -","4","2","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0815","0.0612","","","0.1395","0.1479","","","","","","1.074","","","","has coordinates,has disorder","264852","2021-05-05","07:55:00",""
"1561024","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","0.3","150","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H48 I2 N2 O7 Zn2 -","- C33 H48 I2 N2 O7 Zn2 -","- C66 H96 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0448","0.0421","","","0.1101","0.1134","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:35",""
"1561025","13.906","0.0002","14.3422","0.0002","37.8508","0.0005","90","","90","","90","","7549.06","0.18","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H48 Ca I2 N2 O7 Zn -","- C33 H48 Ca I2 N2 O7 Zn -","- C264 H384 Ca8 I16 N16 O56 Zn8 -","8","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0417","0.0353","","","0.089","0.0939","","","","","","1.057","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561026","12.3544","0.0001","10.9625","0.0001","19.5187","0.0001","90","","90.048","0.001","90","","2643.52","0.03","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Br Li Mg N2 O5 -","- C25 H32 Br Li Mg N2 O5 -","- C100 H128 Br4 Li4 Mg4 N8 O20 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0265","0.0253","","","0.0678","0.0689","","","","","","1.055","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1561027","26.6385","0.0005","12.1506","0.0002","18.5863","0.0003","90","","90","","90","","6015.9","0.18","150","2","150.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H72 Mg3 N6 O12 -","- C63 H72 Mg3 N6 O12 -","- C252 H288 Mg12 N24 O48 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0521","0.0456","","","0.1154","0.1227","","","","","","1.011","","","","has coordinates,has disorder","301787","2025-08-18","22:19:33",""
"1561028","11.2287","0.0004","11.2287","0.0004","32.691","0.002","90","","90","","90","","4121.8","0.3","150","2","150.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C42 H48 Li4 N4 O8 -","- C42 H48 Li4 N4 O8 -","- C168 H192 Li16 N16 O32 -","4","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0624","0.049","","","0.1181","0.1255","","","","","","1.063","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1561029","12.2484","0.0003","11.1331","0.0003","19.8508","0.0005","90","","91.174","0.002","90","","2706.34","0.12","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 I Li N2 O5 Zn -","- C25 H32 I Li N2 O5 Zn -","- C100 H128 I4 Li4 N8 O20 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0258","0.0224","","","0.0534","0.0552","","","","","","1.023","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561030","10.7086","0.0001","20.5174","0.0002","8.9876","0.0001","90","","98.462","0.001","90","","1953.19","0.03","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O8 Zn2 -","- C42 H48 N4 O8 Zn2 -","- C84 H96 N8 O16 Zn4 -","2","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0322","0.0305","","","0.082","0.0839","","","","","","1.023","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1561031","10.7707","0.0003","17.2439","0.0007","19.6341","0.0006","90","","90.981","0.003","90","","3646.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cd I2 Mg N4 O4 -","- C25 H30 Cd I2 Mg N4 O4 -","- C100 H120 Cd4 I8 Mg4 N16 O16 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","0.71073","MoKα","","0.1102","0.0824","","","0.2613","0.2868","","","","","","1.041","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561032","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H46 I2 N2 O7 Zn2 -","- C33 H46 I2 N2 O7 Zn2 -","- C66 H92 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0448","0.0421","","","0.1103","0.1136","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561033","10.1985","0.0002","10.9552","0.0003","15.6105","0.0003","86.416","0.002","87.592","0.002","73.094","0.002","1664.95","0.07","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H40 Cd I2 N2 O6 Zn -","- C29 H40 Cd I2 N2 O6 Zn -","- C58 H80 Cd2 I4 N4 O12 Zn2 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0825","0.0817","","","0.1787","0.1803","","","","","","1.215","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561034","21.0024","0.0005","10.5844","0.0002","15.9024","0.0003","90","","91.002","0.002","90","","3534.53","0.13","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 I N2 Na O7 Zn -","- C33 H48 I N2 Na O7 Zn -","- C132 H192 I4 N8 Na4 O28 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0477","0.0376","","","0.0949","0.1021","","","","","","1.037","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561035","10.7118","0.0002","20.0019","0.0002","18.6537","0.0003","90","","91.671","0.001","90","","3994.97","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Br2 Mg2 N2 O8 -","- C37 H56 Br2 Mg2 N2 O8 -","- C148 H224 Br8 Mg8 N8 O32 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0672","0.0521","","","0.1427","0.1531","","","","","","1.084","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1561513","18.425","0.0007","8.8088","0.0004","17.927","0.0007","90","","113.42","0.001","90","","2669.89","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Cl N P2 Rh S2 -","- C23 H37 Cl N P2 Rh S2 -","- C92 H148 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0226","0.0192","","","0.0491","0.0505","","","","","","1.054","","","","has coordinates","265831","2021-06-05","17:10:30",""
"1561514","11.1268","0.0004","11.9807","0.0005","17.1003","0.0007","90","","92.141","0.001","90","","2278","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl P2 Rh S2 -","- C18 H32 Cl P2 Rh S2 -","- C72 H128 Cl4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0298","0.0245","","","0.0582","0.0619","","","","","","1.026","","","","has coordinates,has disorder","265831","2021-06-05","17:10:35",""
"1561515","9.2984","0.0002","15.248","0.0003","22.7278","0.0004","90","","100.479","0.001","90","","3168.65","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl N P2 Rh S2 -","- C35 H29 Cl N P2 Rh S2 -","- C140 H116 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0233","0.021","","","0.0522","0.0537","","","","","","1.075","","","","has coordinates","265831","2021-06-05","17:10:35",""
"1562424","10.2734","0.0003","14.333","0.0006","21.7148","0.0006","90","","99.339","0.001","90","","3155.09","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Cr N O4 P2 -","- C37 H27 Cr N O4 P2 -","- C148 H108 Cr4 N4 O16 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0668","0.0445","","","0.0903","0.1017","","","","","","1.042","","","","has coordinates","268492","2021-09-06","08:48:08",""
"1562548","16.1662","0.0015","12.7556","0.0012","16.3557","0.0015","90","","96.7815","0.0018","90","","3349.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 Si2 Zr2 -","- C33 H50 N2 Si2 Zr2 -","- C132 H200 N8 Si8 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0527","0.0449","","","0.1129","0.1216","","","","","","1.04","","","","has coordinates,has disorder","266994","2021-07-05","16:05:02",""
"1562549","8.4309","0.0006","8.6096","0.0006","10.3197","0.0008","89.1575","0.0017","78.2307","0.0018","74.7766","0.0017","706.99","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","1","0.5","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","1.54178","CuKα","","0.0328","0.0327","","","0.0889","0.089","","","","","","1.096","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562550","8.3405","0.0002","25.5764","0.0006","14.2103","0.0004","90","","100.188","0.002","90","","2983.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Si Zr2 -","- C33 H40 Si Zr2 -","- C132 H160 Si4 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0326","0.0265","","","0.0697","0.0712","","","","","","1.028","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562551","12.9147","0.0008","16.0454","0.0011","16.0971","0.001","73.455","0.003","74.142","0.003","82.668","0.003","3071.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C120.44 H165.32 Cl3.56 Si8 Zr8 -","4","2","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0311","0.0274","","","0.0685","0.0706","","","","","","1.174","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562893","9.4652","0.0009","9.6082","0.0009","24.647","0.003","90","","90.999","0.003","90","","2241.1","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O2 Os -","- C25 H28 Cl N O2 Os -","- C100 H112 Cl4 N4 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.0626","0.0404","","","0.0712","0.0798","","","","","","0.969","","","","has coordinates","268493","2021-09-06","08:48:31",""
"1562894","6.961","0.003","19.454","0.007","16.217","0.006","90","","95.607","0.008","90","","2185.6","1.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 N2 O2 Os -","- C26 H16 Cl2 N2 O2 Os -","- C104 H64 Cl8 N8 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.1337","0.0765","","","0.127","0.1488","","","","","","1.072","","","","has coordinates","268493","2021-09-06","08:48:42",""
"1563131","36.1891","0.0003","13.7667","0.0001","33.3782","0.0003","90","","107.739","0.001","90","","15838.5","0.2","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H71 Cl2 F8 Fe N3 -","- C85 H71 Cl2 F8 Fe N3 -","- C680 H568 Cl16 F64 Fe8 N24 -","8","2","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0619","0.0467","","","0.1191","0.133","","","","","","1.051","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563132","14.6606","0.0003","14.6606","0.0003","22.0189","0.0005","90","","90","","120","","4098.55","0.15","169.99","0.1","169.99","0.1","","","","","","","","6","P 31","P 31","144","","","","- C57 H51 Cl2 F4 Fe N3 -","- C57 H51 Cl2 F4 Fe N3 -","- C171 H153 Cl6 F12 Fe3 N9 -","3","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0703","0.0494","","","0.1173","0.1315","","","","","","1.038","","","","has coordinates","268491","2021-09-06","08:47:43",""
"1563133","20.1017","0.0005","15.0497","0.0003","18.8974","0.0005","90","","117.144","0.003","90","","5087.3","0.3","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 Cl4 F4 Fe N3 -","- C58 H53 Cl4 F4 Fe N3 -","- C232 H212 Cl16 F16 Fe4 N12 -","4","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.092","0.0799","","","0.2087","0.2188","","","","","","1.036","","","","has coordinates","268491","2021-09-06","08:47:56",""
"1564316","16.1058","0.0006","12.1316","0.0005","17.2976","0.0007","90","","100.554","0.001","90","","3322.6","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl3 Cr N O P2 -","- C33 H35 Cl3 Cr N O P2 -","- C132 H140 Cl12 Cr4 N4 O4 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0588","0.0396","","","0.0828","0.0932","","","","","","1.06","","","","has coordinates","267929","2021-08-04","03:02:47",""
"1564378","12.4454","0.0003","13.2667","0.0004","16.8433","0.0005","76.118","0.002","87.983","0.002","82.56","0.002","2677.01","0.13","100.02","0.1","100.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H41 Cl Cu3 N15 O8 -","- C56 H40 Cl Cu3 N15 O8 -","- C112 H80 Cl2 Cu6 N30 O16 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","1.54184","CuKα","","0.0473","0.0383","","","0.0958","0.1032","","","","","","1.02","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564379","7.881","0.0002","10.7847","0.0003","12.077","0.0004","91.738","0.002","105.882","0.002","95.876","0.002","980.28","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl Cu N5 O6 -","- C19 H18 Cl Cu N5 O6 -","- C38 H36 Cl2 Cu2 N10 O12 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","0.71073","MoKα","","0.0546","0.039","","","0.0835","0.0923","","","","","","1.059","","","","has coordinates","270342","2021-11-06","18:30:02",""
"1564529","7.4094","0.0002","9.2008","0.0002","14.0802","0.0003","90","","94.27","0.001","90","","957.22","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(amino(dimethylamino)methylene)-N-methylmethanaminiumhydrogen carbonate","","- C6 H15 N3 O3 -","- C6 H15 N3 O3 -","- C24 H60 N12 O12 -","4","1","","Mannisto, Jere K.; Pavlovic, Ljiljana; Tiainen, Tony; Nieger, Martin; Sahari, Aleksi; Hopmann, Kathrin H.; Repo, Timo","Mechanistic insights into carbamate formation from CO2 and amines: the role of guanidine–CO2 adducts","Catalysis Science & Technology","2021","11","20","6877","6886","10.1039/D1CY01433A","","","1.54178","CuKα","","0.0332","0.0308","","","0.0783","0.0799","","","","","","1.037","","","","has coordinates","270343","2021-11-06","18:30:11",""
"1564635","12.4856","0.0003","10.6263","0.0002","15.2385","0.0004","90","","98.181","0.002","90","","2001.2","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl N2 Rh -","- C21 H26 Cl N2 Rh -","- C84 H104 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","x-ray","1.54184","CuKα","","0.0411","0.0378","","","0.1002","0.1045","","","","","","1.045","","","","has coordinates","270344","2021-11-06","18:30:21",""
"1564636","17.8663","0.0007","15.711","0.0006","9.4111","0.0004","90","","96.939","0.004","90","","2622.32","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N2 Rh -","- C29 H34 Cl N2 Rh -","- C116 H136 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","","0.71073","MoKα","","0.0542","0.0518","","","0.1011","0.1024","","","","","","1.206","","","","has coordinates,has disorder","270344","2021-11-06","18:30:21",""
"1564764","12.6058","0.0003","36.234","0.0008","13.4322","0.0004","90","","91.713","0.001","90","","6132.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 B F24 N3 Ni -","- C60 H48 B F24 N3 Ni -","- C240 H192 B4 F96 N12 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Ortega, Daniela E.; Cortés-Arriagada, Diego; Pereira, Alfredo; Daniliuc, Constantin G.; Klitzke, Clecio F.; Santos, Leonardo S.; Rojas, Rene S.","Neutral and cationic methallyl nickel complexes in alkene activation: a combined DFT, ESI-MS and chemometric approach","Catalysis Science & Technology","2021","11","22","7475","7485","10.1039/D1CY01595H","","","0.71073","MoKα","","0.1837","0.0927","","","0.189","0.2411","","","","","","1.029","","","","has coordinates,has disorder","271150","2021-12-07","02:20:39",""
"1564765","14.2641","0.0003","19.0639","0.0004","22.615","0.0005","90","","90","","90","","6149.7","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Pd2 -","- C56 H76 Cl8 N4 Pd2 -","- C224 H304 Cl32 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0411","0.0286","","","0.0567","0.0628","","","","","","1.075","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564766","12.4263","0.0003","14.7841","0.0004","16.2288","0.0004","90","","103.567","0.001","90","","2898.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H74 Br2 N4 O2 Pd2 -","- C54 H74 Br2 N4 O2 Pd2 -","- C108 H148 Br4 N8 O4 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0565","0.0404","","","0.0965","0.1079","","","","","","1.022","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564767","14.6417","0.0004","19.3275","0.0006","22.4789","0.0007","90","","90","","90","","6361.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Br4 Cl4 N4 Pd2 -","- C56 H76 Br4 Cl4 N4 Pd2 -","- C224 H304 Br16 Cl16 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0371","0.0304","","","0.0809","0.0849","","","","","","1.037","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564768","12.5373","0.0003","15.0465","0.0003","16.1547","0.0003","90","","100.064","0.001","90","","3000.57","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H74 Cl2 I4 N4 Pd2 -","- C55 H74 Cl2 I4 N4 Pd2 -","- C110 H148 Cl4 I8 N8 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0197","0.0185","","","0.0412","0.0417","","","","","","1.086","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564769","29.8011","0.0004","13.1568","0.0002","30.6277","0.0004","90","","95.8028","0.0006","90","","11947.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C436 H600 Cl24 N32 O16 Pd16 -","8","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0484","0.0375","","","0.0842","0.092","","","","","","1.017","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564770","25.3642","0.0007","12.2415","0.0003","18.7483","0.0005","90","","105.03","0.001","90","","5622.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 I2 N4 O2 Pd2 -","- C54 H74 I2 N4 O2 Pd2 -","- C216 H296 I8 N16 O8 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0436","0.0337","","","0.0617","0.0661","","","","","","1.059","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1565037","12.4748","0.0008","16.3845","0.0011","21.7988","0.0014","90","","94.3271","0.0017","90","","4442.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cp*Ir(pba)Cl]","4-(picolinamido)benzoic acid pentamethylcyclopentadiene iridium complex","","- C23 H24 Cl Ir N2 O3 -","- C23 H24 Cl Ir N2 O3 -","- C184 H192 Cl8 Ir8 N16 O24 -","8","2","","Zhao, Li-Jun; Yin, Zequn; Shi, Yusheng; Sun, Wen; Sun, Libo; Su, Huijuan; Sun, Xun; Zhang, Weiling; Xia, Linyan; Qi, Caixia","A highly active Cp*Ir complex with an anionic N,N-donor chelate ligand catalyzes the robust regeneration of NADH under physiological conditions","Catalysis Science & Technology","2021","11","24","7982","7991","10.1039/D1CY01458G","","","0.71073","MoKα","","0.0862","0.0493","","","0.1475","0.1657","","","","","","1.1","","","","has coordinates","271827","2022-01-06","20:41:01",""
"1565038","10.2605","0.0002","15.2842","0.0003","26.1552","0.0005","90","","90","","90","","4101.75","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F8 Mn N6 O6 S2 -","- C36 H43.9999 F8 Mn N6 O6 S2 -","- C144 H176 F32 Mn4 N24 O24 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0461","0.038","","","0.0988","0.1031","","","","","","1.045","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565039","10.2594","0.0003","15.1887","0.0004","25.5178","0.0005","90","","90","","90","","3976.36","0.17","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 F6 Fe N6 O7 S2 -","- C34 H48 F6 Fe N6 O7 S2 -","- C136 H192 F24 Fe4 N24 O28 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0541","0.0397","","","0.0931","0.0981","","","","","","1.059","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565040","5.9384","0.0001","5.3053","0.0001","15.9518","0.0004","90","","93.289","0.001","90","","501.734","0.018","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F N O3 -","- C10 H12 F N O3 -","- C20 H24 F2 N2 O6 -","2","1","","Zhang, Rui; Tan, Jiamu; Luo, Zhenzhen; Dong, Haihong; Ma, Ningshan; Liao, Cangsong","Stereo-selective synthesis of non-canonical γ-hydroxy-α-amino acids by enzymatic carbon–carbon bond formation","Catalysis Science & Technology","2021","11","22","7380","7385","10.1039/D1CY00955A","","","1.54178","CuKα","","0.0268","0.026","","","0.0656","0.0676","","","","","","1.095","","","","has coordinates","271151","2021-12-07","02:20:50",""
"1565138","7.94037","0.00015","10.1189","0.0002","12.8889","0.0003","87.2665","0.0019","76.201","0.002","70.5516","0.0019","947.75","0.04","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Br Mn N3 O4 -","- C16 H23 Br Mn N3 O4 -","- C32 H46 Br2 Mn2 N6 O8 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0328","0.0324","","","0.0892","0.0894","","","","","","1.0285","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565139","7.71788","0.00015","10.1753","0.0002","13.2154","0.0002","103.067","0.0016","101.353","0.0015","108.667","0.0017","916.12","0.03","169.98","0.1","169.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br Mn N2 O3 S -","- C16 H20 Br Mn N2 O3 S -","- C32 H40 Br2 Mn2 N4 O6 S2 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0915","0.0919","","","","","","1.0414","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565140","9.1878","0.0018","28.171","0.006","10.117","0.002","90","","105.67","0.03","90","","2521.3","1","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br Mn N2 O3 P -","- C26 H24 Br Mn N2 O3 P -","- C104 H96 Br4 Mn4 N8 O12 P4 -","4","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","","0.71073","MoKα","","0.082","0.0806","","","0.1849","0.1859","","","","","","1.064","","","","has coordinates","271826","2022-01-06","20:40:53",""