# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-18T19:22:27+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 = 7 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
"1544553","9.6965","0.0004","17.3653","0.0007","19.2464","0.0008","90","","90","","90","","3240.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 O5 -","- C46 H32 O5 -","- C184 H128 O20 -","4","1","","Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri","A mechanistic study of the Lewis acid‒Brønsted base‒Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone","Catal. Sci. Technol.","2017","7","1","90","","10.1039/C6CY01697A","","","0.71073","MoKα","","0.0891","0.0539","","","0.1281","0.1457","","","","","","1.018","","","","has coordinates","191454","2020-10-21","18:00:00",""
"1544776","31.425","0.006","9.0156","0.0018","34.41","0.005","90","","147.193","0.008","90","","5282","2","297","","297","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","RuCl(NCO)(DMSO)(Pic)","Ru WOCs","","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C164 H208 Cl32 N32 O24 Ru8 S8 -","4","0.5","","Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis","Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand","Catal. Sci. Technol.","2017","7","2","387","","10.1039/C6CY02333A","","","0.71073","MoKα","","0.0683","0.0636","","","0.1487","0.1517","","","","","","1.233","","","","has coordinates","191453","2020-10-21","18:00:00",""
"1545973","11.188","0.002","25.322","0.005","16.401","0.003","90","","93.32","0.03","90","","4638.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 Cl2 N2 P2 Ru -","- C41 H40 Cl2 N2 P2 Ru -","- C164 H160 Cl8 N8 P8 Ru4 -","4","1","","Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst","Catal. Sci. Technol.","2017","7","8","1654","","10.1039/C7CY00342K","","","0.71073","MoKα","","","0.0736","","","0.1795","0.1921","","","","","","1.034","","","","has coordinates","196197","2020-10-21","18:00:00",""
"1546811","10.0781","0.0004","12.2736","0.0005","18.584","0.0008","74.2212","0.0019","75.854","0.002","70.4236","0.0019","2054.25","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Fe2 N2 O8 -","- C48 H44 Fe2 N2 O8 -","- C96 H88 Fe4 N4 O16 -","2","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( iii )-catalysts for the selective formation of cyclic carbonates from CO 2 and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0814","0.0479","","","0.1149","0.1295","","","","","","1.074","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546812","15.0129","0.0009","6.7964","0.0004","16.6082","0.001","90","","107.336","0.0019","90","","1617.62","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( iii )-catalysts for the selective formation of cyclic carbonates from CO 2 and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0625","0.0454","","","0.1234","0.1309","","","","","","1.38","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546813","17.9282","0.0006","11.5903","0.0004","21.7086","0.0007","90","","94.633","0.0019","90","","4496.2","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( iii )-catalysts for the selective formation of cyclic carbonates from CO 2 and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0858","0.0514","","","0.1351","0.156","","","","","","1.053","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546814","8.639","0.0003","28.5416","0.001","10.0003","0.0004","90","","98.528","0.002","90","","2438.52","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 Fe2 N4 O10 -","- C58 H44 Fe2 N4 O10 -","- C116 H88 Fe4 N8 O20 -","2","0.5","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( iii )-catalysts for the selective formation of cyclic carbonates from CO 2 and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0867","0.0494","","","0.106","0.1225","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546834","34.9801","0.0012","34.9801","0.0012","34.9801","0.0012","90","","90","","90","","42802","3","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C12 H6 Hf3 O16 -","- C12 H6 Hf3 O16 -","- C384 H192 Hf96 O512 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0467","0.0384","","","0.118","0.123","","","","","","1.119","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546835","34.901","0.003","34.901","0.003","34.901","0.003","90","","90","","90","","42512","6","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C9 H3 Hf3 O13 S6 -","- C9 H3 Hf3 O13 S6 -","- C288 H96 Hf96 O416 S192 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0602","0.051","","","0.1461","0.1518","","","","","","1.383","","","","has coordinates","282777","2023-04-20","11:56:49",""