# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T19:08:46+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 = 8 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
"1548131","14.6367","0.0007","11.0939","0.0006","14.9574","0.0007","90","","93.785","0.002","90","","2423.5","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Ir2 N2 O4 P4 -","- C44 H66 Ir2 N2 O4 P4 -","- C88 H132 Ir4 N4 O8 P8 -","2","0.5","","Cano, Israel; Martínez-Prieto, Luis M.; Vendier, Laure; van Leeuwen, Piet W. N. M.","An iridium‒SPO complex as bifunctional catalyst for the highly selective hydrogenation of aldehydes","Catalysis Science & Technology","2018","8","1","221","","10.1039/C7CY01953J","","","0.71073","MoKα","","0.0285","0.0243","","","0.0734","0.0856","","","","","","1.293","","","","has coordinates","227959","2020-10-21","18:00:00",""
"1548132","10.52378","0.00008","10.52378","0.00008","30.7376","0.0004","90","","90","","90","","3404.19","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","","","- C44 H42 Mn -","- C44 H42 Mn -","- C176 H168 Mn4 -","4","1","","Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes","Catalysis Science & Technology","2018","8","1","229","","10.1039/C7CY02086D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0376","0.0372","","","0.0995","0.0999","","","","","","1.067","","","","has coordinates","227960","2020-10-21","18:00:00",""
"1548133","27.9963","0.0007","10.5409","0.0003","19.1609","0.0005","90","","100.453","0.002","90","","5560.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(trenpy3)](ClO4)2","","","- C24 H27 Cl2 Co N7 O8 -","- C24 H27 Cl2 Co N7 O8 -","- C192 H216 Cl16 Co8 N56 O64 -","8","1","","Leung, C.-F.; Cheng, S.-C.; Yang, Y.; Xiang, J.; Yiu, S.-M.; Ko, C.-C.; Lau, T.-C.","Efficient photocatalytic water reduction by a cobalt(ii) tripodal iminopyridine complex","Catalysis Science & Technology","2018","8","1","307","","10.1039/C7CY01524K","","","1.54178","CuKα","","0.0652","0.0482","","","0.1281","0.1423","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548157","20.4693","0.0001","20.4693","0.0001","19.1467","0.0003","90","","90","","90","","8022.32","0.14","173","0.1","173","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C30 H44 N6 O12 S2 Zn2 -","- C30 H44 N6 O12 S2 Zn2 -","- C240 H352 N48 O96 S16 Zn16 -","8","1","","Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing","N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst","Catalysis Science & Technology","2018","8","1","335","","10.1039/C7CY02265D","","","0.71073","MoKα","","0.0388","0.0337","","","0.0741","0.0768","","","","","","1.028","","","","has coordinates","227961","2020-10-21","18:00:00",""
"1548362","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Landge, Vinod G.; Pitchaimani, Jayaraman; Midya, Siba P.; Subaramanian, Murugan; Madhu, Vedichi; Balaraman, Ekambaram","Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes","Catalysis Science & Technology","2018","8","2","428","","10.1039/C7CY01994G","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227968","2020-10-21","18:00:00",""
"1548586","19.942","0.002","10.9697","0.0007","24.135","0.002","90","","112.7","0.011","90","","4870.7","0.8","250","2","250","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C200 H136 Au8 Cl8 F32 N16 O8 P8 -","8","2","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0895","0.0486","","","0.1096","0.1371","","","","","","1.04","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548587","16.0034","0.0005","8.3754","0.0002","19.2521","0.0005","90","","111.188","0.003","90","","2406.01","0.12","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C100 H68 Au4 Cl4 F16 N8 O4 P4 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0389","0.0258","","","0.0566","0.0598","","","","","","1.058","","","","has coordinates","227979","2020-10-21","18:00:00",""
"1548588","11.051","0.003","15.816","0.004","16.857","0.005","109.459","0.003","103.933","0.005","104.747","0.005","2509.4","1.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C75.7 H52.58 Au4 Cl14.22 F8 N4 P4 -","2","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","","0.71075","MoKα","","0.1239","0.1038","","","0.2582","0.2689","","","","","","1.119","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548589","18.453","0.0016","18.5065","0.0019","11.1568","0.0013","90","","97.085","0.01","90","","3781","0.7","250","","250","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C147.2 H99.2 Au8 Cl17.6 F16 N8 P8 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0727","0.0403","","","0.0991","0.1115","","","","","","1.029","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548784","12.6797","0.0003","13.5123","0.0004","23.948","0.0007","90","","90","","90","","4103.1","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C156.4 H98 Fe12 N8.4 O62.8 -","4","1","","Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S.","A new transformation of coumarins via direct C‒H bond activation utilizing an iron‒organic framework as a recyclable catalyst","Catalysis Science & Technology","2018","8","5","1267","","10.1039/C7CY02139A","","","1.54178","CuKα","","0.1408","0.1027","","","0.243","0.2701","","","","","","1.064","","","","has coordinates","227964","2020-10-21","18:00:00",""
"1548827","18.2412","0.0002","14.5616","0.0002","23.1101","0.0004","90","","90","","90","","6138.53","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Cl3 Cr N7 O2 -","- C27 H33 Cl3 Cr N7 O2 -","- C216 H264 Cl24 Cr8 N56 O16 -","8","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","0.71073","MoKα","","0.0527","0.0371","","","0.1003","0.1042","","","","","","1.097","","","","has coordinates","227963","2020-10-21","18:00:00",""
"1548828","18.3091","0.0003","11.3311","0.0002","13.9361","0.0002","90","","100.163","0.0016","90","","2845.85","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl3 Cr N7 O2 -","- C25 H33 Cl3 Cr N7 O2 -","- C100 H132 Cl12 Cr4 N28 O8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","1.54184","CuKα","","0.0789","0.0633","","","0.1251","0.1294","","","","","","1.15","","","","has coordinates,has disorder","227963","2020-10-21","18:00:00",""
"1549079","12.139","0.009","15.53","0.011","24.301","0.017","90","","98.77","0.011","90","","4528","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N6 O4 Ru -","- C43 H29 N6 O4 Ru -","- C172 H116 N24 O16 Ru4 -","4","1","","Xiang, Wenjing; Li, Lin; Dai, Zengjin; Meng, Xianggao; Li, Renjie; Zhang, Jing; Peng, Tianyou","TiO2 modified with a Ru(ii)–N′NN′ 8-hydroxyquinolyl complex for efficient gaseous photoreduction of CO2","Catalysis Science & Technology","2018","8","8","2098","","10.1039/C8CY00158H","","","0.71073","MoKα","","0.1226","0.0744","","","0.1868","0.2145","","","","","","0.832","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549242","8.6949","0.0006","13.9549","0.0009","19.9508","0.0015","90","","90","","90","","2420.8","0.3","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 F3 Mn O6 P2 S -","- C18 H32 F3 Mn O6 P2 S -","- C72 H128 F12 Mn4 O24 P8 S4 -","4","1","","Garduño, Jorge A.; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.","Mn(i) organometallics containing the iPr2P(CH2)2PiPr2 ligand for the catalytic hydration of aromatic nitriles","Catalysis Science & Technology","2018","8","10","2606","","10.1039/C8CY00416A","","","0.71073","MoKα","","0.1202","0.0766","","","0.1661","0.197","","","","","","1.054","","","","has coordinates,has disorder","227956","2020-10-21","18:00:00",""
"1549488","11.6869","0.0005","8.8935","0.0004","8.551","0.0004","90","","90.223","0.001","90","","888.76","0.07","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H20 Cl2 O6 Pd -","- C15 H20 Cl2 O6 Pd -","- C30 H40 Cl4 O12 Pd2 -","2","0.25","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0217","0.0217","","","0.0555","0.0555","","","","","","1.069","","","","has coordinates","227977","2020-10-21","18:00:00",""
"1549489","4.7881","0.0008","7.9629","0.0013","8.7923","0.0015","80.994","0.003","77.33","0.003","72.621","0.003","310.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","1","0.5","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol–yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0321","0.0307","","","0.0585","0.0593","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549495","15.0632","0.0004","12.3425","0.0003","16.2371","0.0004","90","","107.643","0.0013","90","","2876.77","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl Ir N O7 P -","- C26 H44 Cl Ir N O7 P -","- C104 H176 Cl4 Ir4 N4 O28 P4 -","4","1","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0495","0.0385","","","0.0882","0.0936","","","","","","1.026","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549496","7.7588","0.0006","15.5942","0.0012","24.116","0.0019","89.185","0.004","82.743","0.004","89.582","0.005","2894.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Ir N O7 P -","- C26 H43 Ir N O7 P -","- C104 H172 Ir4 N4 O28 P4 -","4","2","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0299","0.0246","","","0.0511","0.0526","","","","","","1.068","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549588","6.7562","0.0004","7.5182","0.0005","8.7692","0.0005","107.83","0.0018","98.976","0.0017","113.06","0.0018","370.28","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C17 H16 O2 Se -","1","1","","García-López, Diego; Civit, Marc G.; Vogels, Christopher M.; Ricart, Josep M.; Westcott, Stephen A.; Fernández, Elena; Carbó, Jorge J.","Understanding the mechanism of transition metal-free anti addition to alkynes: the selenoboration case","Catalysis Science & Technology","2018","8","14","3617","","10.1039/C7CY02295F","","","0.71073","MoKα","","0.0198","0.0187","","","0.0573","0.0729","","","","","","1.303","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549589","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549590","6.838","0.0014","13.077","0.003","13.377","0.003","89.44","0.03","78.44","0.03","82.78","0.03","1162.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H29 B2 Cl2 Co F8 N5 O -","- C15 H29 B2 Cl2 Co F8 N5 O -","- C30 H58 B4 Cl4 Co2 F16 N10 O2 -","2","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.63","synchrotron","","0.066","0.046","","","0.1219","0.1304","","","","","","0.97","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549609","31.977","0.0019","18.3536","0.0013","14.7633","0.0009","90","","91.413","0.006","90","","8661.8","1","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu3 N10 O15 -","- C28 H18 Cu3 N10 O15 -","- C224 H144 Cu24 N80 O120 -","8","1","","Ahmad, Nazir; Younus, Hussein A.; Chughtai, Adeel H.; Van Hecke, Kristof; Khattak, Zafar A. K.; Gaoke, Zhang; Danish, Muhammad; Verpoort, Francis","Synthesis of 2D MOF having potential for efficient dye adsorption and catalytic applications","Catalysis Science & Technology","2018","8","16","4010","","10.1039/C8CY00579F","","","1.54184","CuKα","","0.1055","0.0777","","","0.1912","0.2179","","","","","","0.946","","","","has coordinates","227970","2020-10-21","18:00:00",""
"1549715","18.998","0.006","15.678","0.004","20.236","0.009","90","","100.84","0.04","90","","5920","4","80","2","80","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H157 K2 Mn8 N O42 -","- C86 H157 K2 Mn8 N O42 -","- C172 H314 K4 Mn16 N2 O84 -","2","0.5","","Mousazade, Younes; Mohammadi, Mohammad Reza; Chernev, Petko; Bikas, Rahman; Bagheri, Robabeh; Song, Zhenlun; Lis, Tadeusz; Dau, Holger; Najafpour, Mohammad Mahdi","Water oxidation by a manganese‒potassium cluster: Mn oxide as a kinetically dominant “true” catalyst for water oxidation","Catalysis Science & Technology","2018","8","17","4390","","10.1039/C8CY01151F","","","0.71073","MoKα","","0.153","0.0728","","","0.1233","0.1486","","","","","","1.05","","","","has coordinates,has disorder","227966","2020-10-21","18:00:00",""
"1549739","16.501","0.004","6.6194","0.0018","13.21","0.004","90","","90","","90","","1442.9","0.7","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.19 Al I0.82 O5 -","- C8 H4.184 Al I0.816 O5 -","- C32 H16.736 Al4 I3.264 O20 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1326","0.127","","","0.3491","0.3533","","","","","","1.123","","","","has coordinates,has disorder","227965","2020-10-21","18:00:00",""
"1549740","17.107","0.011","6.622","0.004","12.229","0.008","90","","90","","90","","1385.3","1.5","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.3 Al I0.7 O5.25 -","- C8 H4.3 Al I0.7 O5.25 -","- C32 H17.2 Al4 I2.8 O21 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1215","0.1067","","","0.2786","0.2903","","","","","","1.149","","","","has coordinates","227965","2020-10-21","18:00:00",""
"1549749","10.855","0.0004","28.6007","0.0012","10.8441","0.0004","90","","119.239","0.001","90","","2937.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Rh2 S2 -","- C31 H53 Rh2 S2 -","- C124 H212 Rh8 S8 -","4","1","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0737","0.0595","","","0.117","0.123","","","","","","1.072","","","","has coordinates","227967","2020-10-21","18:00:00",""
"1549750","8.734","0.003","26.987","0.008","8.39","0.002","90","","90","","90","","1977.6","1","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H74 Rh2 S2 -","- C40 H74 Rh2 S2 -","- C80 H148 Rh4 S4 -","2","0.5","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0613","0.0479","","","0.0972","0.1026","","","","","","1.129","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549855","8.268","0.0006","11.8794","0.0007","12.9943","0.0007","71.395","0.005","78.04","0.005","70.734","0.006","1134.41","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Cl2 N Si Ti -","- C21 H33 Cl2 N Si Ti -","- C42 H66 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0464","0.0368","","","0.1195","0.1286","","","","","","1.174","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549856","9.966","0.0002","12.4507","0.0004","15.2615","0.0004","112.445","0.003","108.902","0.002","90.786","0.002","1635.29","0.09","150","2","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 Cl2 N Si Ti -","- C32 H49 Cl2 N Si Ti -","- C64 H98 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.043","0.0403","","","0.1148","0.1188","","","","","","0.947","","","","has coordinates,has disorder","227975","2020-10-21","18:00:00",""
"1549857","11.5225","0.0002","12.9843","0.0002","15.2891","0.0002","90","","104.979","0.002","90","","2209.7","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl2 N Si Ti -","- C20 H31 Cl2 N Si Ti -","- C80 H124 Cl8 N4 Si4 Ti4 -","4","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0337","0.0302","","","0.0897","0.0937","","","","","","0.956","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549858","16.13031","0.00015","14.54437","0.00012","17.33703","0.00017","90","","90","","90","","4067.36","0.06","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N O3 -","- C23 H26 Ir N O3 -","- C184 H208 Ir8 N8 O24 -","8","1","","Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida","Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines","Catalysis Science & Technology","2018","8","24","6316","","10.1039/C8CY01236A","","x-ray","1.54184","CuKα","","0.0191","0.0172","","","0.0437","0.045","","","","","","1.042","","","","has coordinates","227954","2020-10-21","18:00:00",""
"1549873","9.7423","0.0003","11.066","0.0004","12.1673","0.0004","100.717","0.003","104.685","0.003","96.543","0.003","1228.72","0.08","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cl Ir N2 -","- C28 H34 Cl Ir N2 -","- C56 H68 Cl2 Ir2 N4 -","2","1","","Wong, Chin Min; Fekete, Marianna; Nelson-Forde, Rhianna; Gatus, Mark R. D.; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.; Messerle, Barbara A.","Harnessing asymmetric N-heterocyclic carbene ligands to optimise SABRE hyperpolarisation.","Catalysis science & technology","2018","8","19","4925","4933","10.1039/c8cy01214h","","x-ray","1.54184","CuKα","","0.0172","0.0167","","","0.0413","0.0415","","","","","","1.085","","","","has coordinates,has disorder","227969","2020-10-21","18:00:00",""
"1549904","7.4134","0.0003","8.4142","0.0003","12.1239","0.0004","84.72","0.003","88.99","0.003","84.549","0.003","749.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","NLL153","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.7107","MoKα","","0.0477","0.0366","","","0.0852","0.0894","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549905","6.2605","0.0004","9.8392","0.0006","12.7844","0.0007","67.7938","0.0014","88.4599","0.0015","84.1325","0.0016","725.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","HFP1255","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.71073","MoKα","","0.0416","0.0364","","","0.0984","0.1026","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549933","22.637","0.006","9.781","0.003","23.089","0.006","90","","118.062","0.004","90","","4511","2","203","2","203","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C49 H50 N6 O Y -","- C49 H50 N6 O Y -","- C196 H200 N24 O4 Y4 -","4","1","","Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng","Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates","Catalysis Science & Technology","2018","8","21","5573","","10.1039/C8CY01481G","","","0.71073","MoKα","","0.0584","0.0437","","","0.1321","0.1459","","","","","","1.051","","","","has coordinates","227976","2020-10-21","18:00:00",""
"1550033","20.808","0.003","31.071","0.002","12.2164","0.0011","90","","90.694","0.011","90","","7897.6","1.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 B Cl2 Cu F4 N8 -","- C37 H46 B Cl2 Cu F4 N8 -","- C296 H368 B8 Cl16 Cu8 F32 N64 -","8","2","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.2276","0.2039","","","0.4806","0.5109","","","","","","1.855","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550034","12.3905","0.0003","19.0233","0.0005","14.481","0.0003","90","","102.996","0.002","90","","3325.86","0.14","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C134 H164 Cl4 Cu4 F12 N16 O12 S4 -","4","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.0549","0.0397","","","0.0984","0.1092","","","","","","1.039","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550035","9.1002","0.0005","10.9858","0.0006","19.3481","0.0007","89.693","0.004","79.192","0.004","82.793","0.004","1884.64","0.16","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cu F3 N4 O3 S -","- C37 H44 Cu F3 N4 O3 S -","- C74 H88 Cu2 F6 N8 O6 S2 -","2","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","0.71073","MoKα","","0.0703","0.0504","","","0.1138","0.1271","","","","","","1.021","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550044","8.5611","0.0002","10.9802","0.0002","13.2254","0.0002","109.051","0.001","102.4","0.001","90.413","0.001","1143.69","0.04","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 I Ir N4 -","- C22 H26 I Ir N4 -","- C44 H52 I2 Ir2 N8 -","2","1","","Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta","Iridium‒NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple","Catalysis Science & Technology","2018","8","23","6137","","10.1039/C8CY02069H","","x-ray","0.71073","MoKα","","0.025","0.0237","","","0.0558","0.0563","","","","","","1.037","","","","has coordinates","227974","2020-10-21","18:00:00",""
"1550236","9.7438","0.0015","9.9224","0.0016","10.984","0.0019","64.086","0.006","78.354","0.007","63.503","0.006","854.8","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-dimethylaniline","","- C22 H23 N -","- C22 H23 N -","- C44 H46 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.1115","0.0778","","","0.2647","0.2795","","","","","","1.125","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550237","8.3046","0.0002","10.7954","0.0002","12.0469","0.0002","109.64","0.0009","100.96","0.0008","104.352","0.0009","940.16","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-diethylaniline","","- C24 H27 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.0607","0.0456","","","0.1194","0.1296","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1554189","10.0354","0.0005","12.4751","0.0012","22.059","0.0013","90","","93.55","0.004","90","","2756.3","0.3","","","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 O3 P Ru -","- C29 H31 Cl2 O3 P Ru -","- C116 H124 Cl8 O12 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","1.54178","CuKα","","0.028","0.0251","","","0.0624","0.0641","","","","","","1.0449","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554190","16.387","0.013","27.97","0.02","26.66","0.02","90","","101.396","0.015","90","","11979","16","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C123.3 Cl8 O8 P4 Ru4 Zn2 -","- C123.28 Cl8 O8 P4 Ru4 Zn2 -","- C493.12 Cl32 O32 P16 Ru16 Zn8 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.1649","0.0811","","","0.2023","0.2562","","","","","","1.008","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554191","10.595","0.002","12.873","0.003","18.387","0.004","90","","106.74","","90","","2401.5","0.9","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl2 O2 P Ru -","- C25 H29 Cl2 O2 P Ru -","- C100 H116 Cl8 O8 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.0874","0.042","","","0.0624","0.0714","","","","","","0.577","","","","has coordinates","236817","2020-10-21","18:00:00",""