# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T07:47:43+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 = 15 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
"1573241","13.34263","0.0001","22.71892","0.00016","22.67074","0.00014","90","","98.27","0.0006","90","","6800.72","0.08","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H86 O9 P4 Ru2 -","- C72 H86 O9 P4 Ru2 -","- C288 H344 O36 P16 Ru8 -","4","0.5","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.022","0.0213","","","0.0522","0.0527","","","","","","1.037","","","","has coordinates","297980","2025-03-04","18:04:30",""
"1573242","13.32259","0.00017","13.34539","0.00017","17.15744","0.00018","103.497","0.001","94.3216","0.001","118.437","0.0013","2545.56","0.07","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H69 O6 P2 Ru -","- C59 H69 O6 P2 Ru -","- C118 H138 O12 P4 Ru2 -","2","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0313","0.031","","","0.0786","0.0788","","","","","","1.062","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573243","14.82724","0.00007","14.82724","0.00007","16.45463","0.00014","90","","90","","90","","3617.5","0.04","150","2","150.01","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H34 O6 P2 Ru -","- C42 H34 O6 P2 Ru -","- C168 H136 O24 P8 Ru4 -","4","0.5","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0207","0.0193","","","0.0451","0.0457","","","","","","1.034","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573244","20.4141","0.0003","13.33648","0.00014","22.581","0.0003","90","","104.798","0.0012","90","","5943.81","0.14","150","2","149.9","0.6","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H38 P2 Ru -","- C34 H38 P2 Ru -","- C272 H304 P16 Ru8 -","8","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","0.71073","MoKα","","0.0266","0.021","","","0.0473","0.0502","","","","","","1.101","","","","has coordinates","297980","2025-03-04","18:04:32",""
"1573245","11.0204","0.0003","20.042","0.0005","18.3864","0.0005","90","","97.977","0.003","90","","4021.72","0.19","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 O6 P2 Ru -","- C41 H52 O6 P2 Ru -","- C164 H208 O24 P8 Ru4 -","4","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","0.71073","MoKα","","0.0587","0.0351","","","0.0647","0.0715","","","","","","1.011","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573246","19.9752","0.0007","19.5957","0.0008","16.0602","0.0005","90","","96.739","0.005","90","","6243","0.4","150","2","149.9","0.7","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H52 Cl2 F12 O9 P4 Ru2 -","- C61 H52 Cl2 F12 O9 P4 Ru2 -","- C244 H208 Cl8 F48 O36 P16 Ru8 -","4","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","0.71073","MoKα","","0.1003","0.0643","","","0.117","0.1287","","","","","","1.092","","","","has coordinates","297980","2025-03-04","18:04:32",""
"1573247","17.3865","0.00012","18.59091","0.00014","22.10176","0.00013","90","","90","","90","","7143.97","0.08","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H36 O6 P2 Ru -","- C41 H36 O6 P2 Ru -","- C328 H288 O48 P16 Ru8 -","8","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0393","0.0358","","","0.0863","0.0887","","","","","","1.106","","","","has coordinates","297980","2025-03-04","18:04:32",""
"1573248","14.1251","0.0004","23.585","0.0006","23.8891","0.0005","88.9659","0.0018","76.443","0.002","76.138","0.002","7505.2","0.3","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C338 H309 O41 P16 Ru8 -","- C338 H309 O41 P16 Ru8 -","- C338 H309 O41 P16 Ru8 -","1","0.5","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0625","0.0432","","","0.1021","0.113","","","","","","1.03","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573249","13.8453","0.0003","24.5721","0.0004","29.3748","0.0006","90","","101.926","0.002","90","","9777.8","0.3","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H114 O10 P4 Ru2 -","- C99 H114 O10 P4 Ru2 -","- C396 H456 O40 P16 Ru8 -","4","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.1223","0.1016","","","0.2199","0.2299","","","","","","1.131","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573308","10.6687","0.0007","15.5241","0.001","22.9366","0.0015","90","","92.854","0.001","90","","3794.1","0.4","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Cl N2 O2 P2 Ru -","- C39 H55 Cl N2 O2 P2 Ru -","- C156 H220 Cl4 N8 O8 P8 Ru4 -","4","1","","Donnelly, Laurie J.; Gelfand, Benjamin S.; Piers, Warren E.","Rapid and selective formic acid dehydrogenation catalysis by molecular ruthenium hydrides supported by rigid PCcarbeneP pincer ligands","Catalysis Science & Technology","2025","15","1","100","106","10.1039/D4CY01346H","","x-ray","0.71073","MoKα","","0.0542","0.0444","","","0.1195","0.1257","","","","","","1.062","","","","has coordinates","297979","2025-03-04","18:03:47",""
"1573417","9.2684","0.0003","13.6019","0.0004","14.1589","0.0005","86.53","0.001","85.322","0.001","82.685","0.001","1762.29","0.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cl N O Pd Se -","- C18 H20 Cl N O Pd Se -","- C72 H80 Cl4 N4 O4 Pd4 Se4 -","4","2","","Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant","Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes)","Catalysis Science & Technology","2025","15","2","523","536","10.1039/D4CY01198H","","","1.54178","CuKα","","0.0197","0.0194","","","0.0513","0.0516","","","","","","1.056","","","","has coordinates","297981","2025-03-04","18:05:07",""
"1573418","6.7272","0.0005","20.8455","0.0015","15.5747","0.0011","90","","92.371","0.003","90","","2182.2","0.3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl N O Pd Se -","- C24 H26 Cl N O Pd Se -","- C96 H104 Cl4 N4 O4 Pd4 Se4 -","4","1","","Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant","Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes)","Catalysis Science & Technology","2025","15","2","523","536","10.1039/D4CY01198H","","","1.54178","CuKα","","0.0212","0.021","","","0.0512","0.0513","","","","","","1.17","","","","has coordinates","297981","2025-03-04","18:05:10",""
"1573436","9.5864","0.0018","13.892","0.002","17.545","0.004","90","","100.802","0.009","90","","2295.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Br Co N3 O5 -","- C20 H27 Br Co N3 O5 -","- C80 H108 Br4 Co4 N12 O20 -","4","1","","Sahoo, Sangita; Pandey, Vipin K.; Barik, Jogendrananda; Rit, Arnab","Cobalt–NHC promoted selective functionalization of alkynes via auxiliary-ligand modulation","Catalysis Science & Technology","2025","15","3","734","740","10.1039/D4CY01375A","","","0.71073","MoKα","","0.0972","0.0558","","","0.1491","0.1723","","","","","","1.046","","","","has coordinates","297984","2025-03-04","18:06:38",""
"1573473","19.6202","0.0003","9.6407","0.0002","14.9332","0.0003","90","","91.131","0.002","90","","2824.1","0.09","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C11 H11 Cl2 N3 O2 Pd -","- C11 H11 Cl2 N3 O2 Pd -","- C88 H88 Cl16 N24 O16 Pd8 -","8","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","0.71073","MoKα","","0.0252","0.0222","","","0.0584","0.0595","","","","","","1.107","","","","has coordinates","297983","2025-03-04","18:06:23",""
"1573474","11.62997","0.00006","14.78476","0.00007","11.92053","0.00006","90","","105.047","0.0005","90","","1979.42","0.018","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 N4 O Pd -","- C19 H20 Cl2 N4 O Pd -","- C76 H80 Cl8 N16 O4 Pd4 -","4","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.0615","0.0615","","","","","","1.17","","","","has coordinates,has disorder","297983","2025-03-04","18:06:23",""
"1573475","8.91557","0.00012","10.26115","0.00013","18.9836","0.0002","90","","90","","90","","1736.7","0.04","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl2 N4 O Pd -","- C14 H18 Cl2 N4 O Pd -","- C56 H72 Cl8 N16 O4 Pd4 -","4","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","0.71073","MoKα","","0.0374","0.033","","","0.0763","0.0781","","","","","","1.109","","","","has coordinates,has disorder","297983","2025-03-04","18:06:23",""
"1573476","10.9705","0.00013","23.0363","0.0002","14.0725","0.00015","90","","90","","90","","3556.4","0.06","173","0.1","173","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H14 Cl2 N4 O Pd -","- C12 H14 Cl2 N4 O Pd -","- C96 H112 Cl16 N32 O8 Pd8 -","8","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","0.71073","MoKα","","0.0247","0.0227","","","0.0603","0.0611","","","","","","1.11","","","","has coordinates","297983","2025-03-04","18:06:23",""
"1573544","13.0315","0.0018","6.515","0.0009","15.334","0.0019","90","","98.689","0.004","90","","1286.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B O3 S -","- C11 H21 B O3 S -","- C44 H84 B4 O12 S4 -","4","1","","Kumar, Ashok; Gupta, Rohit; Subramaniyan, Vasudevan; Mani, Ganesan","DMSO-catalyzed CO2 reduction with 9-BBN: selective formation of either formoxy- or methoxyborane under mild conditions and C-methylenation of indoles","Catalysis Science & Technology","2025","15","3","678","688","10.1039/D4CY01327A","","","0.71073","MoKα","","0.097","0.0548","","","0.1094","0.1264","","","","","","1.026","","","","has coordinates","297985","2025-03-04","18:06:54",""
"1573582","8.31031","0.00008","20.0084","0.0002","44.3627","0.0005","90","","90","","90","","7376.45","0.13","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Cl2 N2 O Ru S2 -","- C41 H40 Cl2 N2 O Ru S2 -","- C328 H320 Cl16 N16 O8 Ru8 S16 -","8","1","","Matveeva, Maria; Trzaskowski, Bartosz; Kajetanowicz, Anna","Modifications of substituents on the chelating oxygen atom in stereoretentive Hoveyda–Grubbs-type complexes and their influence on catalytic properties","Catalysis Science & Technology","2025","15","3","783","793","10.1039/D4CY01357C","","x-ray","1.54184","CuKα","","0.0437","0.0343","","","0.0833","0.0899","","","","","","1.025","","","","has coordinates","297982","2025-03-04","18:05:58",""
"1573721","22.3235","0.0002","15.8553","0.0001","17.5716","0.0002","90","","90","","90","","6219.39","0.1","160","0.1","160","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C58 H52 Co F24 N6 O P4 Re2 -","- C54 H42 Co F24 N6 P4 Re2 -","- C216 H168 Co4 F96 N24 P16 Re8 -","4","0.5","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.0492","0.0457","","","0.1351","0.1384","","","","","","1.065","","","","has coordinates,has disorder","297978","2025-03-04","18:03:25",""
"1573722","14.7621","0.0002","16.5626","0.0002","20.9736","0.0003","90","","101.077","0.001","90","","5032.48","0.12","160","0.1","160","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Co F18 N10 P3 -","- C46 H38 Co F18 N10 P3 -","- C184 H152 Co4 F72 N40 P12 -","4","0.5","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.0398","0.0348","","","0.0858","0.0892","","","","","","1.05","","","","has coordinates,has disorder","297978","2025-03-04","18:03:27",""
"1573723","12.1888","0.0005","21.4924","0.0007","24.0881","0.0007","90","","104.142","0.004","90","","6119","0.4","160","0.1","160","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Co F30 N8 P5 Re2 -","- C54 H44 Co F30 N8 P5 Re2 -","- C216 H176 Co4 F120 N32 P20 Re8 -","4","1","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.1623","0.1195","","","0.3572","0.3996","","","","","","1.451","","","","has coordinates","297978","2025-03-04","18:03:27",""
"1573724","9.24728","0.00016","27.2919","0.0006","24.3585","0.0004","90","","95.1273","0.0016","90","","6122.9","0.2","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Co F24 N8 P4 Re2 -","- C54 H44 Co F24 N8 P4 Re2 -","- C216 H176 Co4 F96 N32 P16 Re8 -","4","1","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.0835","0.0592","","","0.1528","0.1649","","","","","","1.048","","","","has coordinates","297978","2025-03-04","18:03:27",""
"1573983","10.495","0.0006","15.3001","0.001","11.7177","0.0008","90","","97.033","0.002","90","","1867.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","2","","Masukawa, Kazuki; Kojima, Amu; Sato, Takuma; Terada, Masahiro; Nakamura, Itaru","Cu-catalyzed [1,3]-asymmetric methoxy rearrangement of N-methoxyanilines: mechanistic insight","Catalysis Science & Technology","2025","15","7","2138","2142","10.1039/D5CY00106D","","x-ray","0.71073","MoKα","","0.0721","0.0477","","","0.0966","0.1077","","","","","","1.015","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1574058","20.1424","0.0008","10.949","0.0003","13.4777","0.0004","90","","90","","90","","2972.36","0.17","213","2","213","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H34 Cr O4 P2 -","- C33 H34 Cr O4 P2 -","- C132 H136 Cr4 O16 P8 -","4","1","","Zhao, Xing; Xie, Haojie; Zuo, Jing; Wang, Jihe; Zhao, Mei-Xin; Zhang, Jun","PCCP ligands with a semi-rigid backbone for chromium-catalyzed selective ethylene tri-/tetramerization","Catalysis Science & Technology","2025","15","9","2713","2721","10.1039/D5CY00152H","","","0.71073","MoKα","","0.0372","0.0308","","","0.0647","0.0682","","","","","","1.049","","","","has coordinates","300392","2025-07-06","12:38:50",""
"1574059","11.6589","0.0003","9.9032","0.0002","14.3096","0.0003","90","","112.88","0.001","90","","1522.2","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 Cr O4 P2 -","- C33 H28 Cr O4 P2 -","- C66 H56 Cr2 O8 P4 -","2","1","","Zhao, Xing; Xie, Haojie; Zuo, Jing; Wang, Jihe; Zhao, Mei-Xin; Zhang, Jun","PCCP ligands with a semi-rigid backbone for chromium-catalyzed selective ethylene tri-/tetramerization","Catalysis Science & Technology","2025","15","9","2713","2721","10.1039/D5CY00152H","","","1.54178","CuKα","","0.056","0.0495","","","0.1228","0.1293","","","","","","1.039","","","","has coordinates","300392","2025-07-06","12:38:52",""
"1574072","21.5561","0.0003","9.39102","0.00013","19.5924","0.0003","90","","106.024","0.0016","90","","3812.06","0.1","296.18","0.1","296.18","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","WY","","- C44.22 H41 Cl1.78 F2 N2 Pd -","- C44.229 H41 Cl1.771 F2 N2 Pd -","- C176.916 H164 Cl7.084 F8 N8 Pd4 -","4","1","","Wang, Yan; Dai, Shengyu","Exploring the o-aryl halogen effects of α-diimine Pd(ii) catalysts on ethylene (co)polymerization","Catalysis Science & Technology","2025","15","9","2822","2828","10.1039/D5CY00187K","","x-ray","1.54184","CuKα","","0.0758","0.0734","","","0.2296","0.233","","","","","","1.107","","","","has coordinates,has disorder","300391","2025-07-06","12:38:39",""
"1574128","6.6617","0.0002","17.3131","0.0004","28.1245","0.001","93.203","0.002","92.284","0.003","95.465","0.002","3220.61","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H31 Cl2 N Si Ti -","- C17 H31 Cl2 N Si Ti -","- C102 H186 Cl12 N6 Si6 Ti6 -","6","3","","Kawatsu, Minaho; Fujioka, Taiga; Losio, Simona; Tritto, Incoronata; Nomura, Kotohiro","(Trialkylsilyl-cyclopentadienyl)titanium(iv) dichloride complexes containing ketimide ligands, Cp′TiCl2(NCtBu2) (Cp′ = Me3SiC5H4, Et3SiC5H4), as efficient catalysts for ethylene copolymerisation with norbornene and tetracyclododecene","Catalysis Science & Technology","2025","15","9","2757","2765","10.1039/D5CY00160A","","x-ray","0.71073","MoKα","","0.0863","0.0561","","","0.1266","0.1359","","","","","","1.073","","","","has coordinates","300390","2025-07-06","12:38:23",""
"1574129","12.2674","0.0004","13.776","0.0004","14.0063","0.0004","90","","90","","90","","2367","0.12","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","C20H37Cl2NSiTi","","- C20 H37 Cl2 N Si Ti -","- C20 H37 Cl2 N Si Ti -","- C80 H148 Cl8 N4 Si4 Ti4 -","4","1","","Kawatsu, Minaho; Fujioka, Taiga; Losio, Simona; Tritto, Incoronata; Nomura, Kotohiro","(Trialkylsilyl-cyclopentadienyl)titanium(iv) dichloride complexes containing ketimide ligands, Cp′TiCl2(NCtBu2) (Cp′ = Me3SiC5H4, Et3SiC5H4), as efficient catalysts for ethylene copolymerisation with norbornene and tetracyclododecene","Catalysis Science & Technology","2025","15","9","2757","2765","10.1039/D5CY00160A","","x-ray","0.71073","MoKα","","0.0624","0.046","","","0.1053","0.1109","","","","","","1.044","","","","has coordinates","300390","2025-07-06","12:38:23",""
"1574234","7.0728","0.0005","12.2024","0.0009","16.3422","0.0011","90","","90","","90","","1410.42","0.17","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.0797","0.0493","","","0.103","0.122","","","","","","1.054","","","","has coordinates","300393","2025-07-06","12:39:11",""
"1574235","7.0038","0.0008","12.3433","0.0013","16.3586","0.0017","90","","90","","90","","1414.2","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl N4 O -","- C15 H11 Cl N4 O -","- C60 H44 Cl4 N16 O4 -","4","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.1288","0.0552","","","0.092","0.115","","","","","","0.995","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574236","8.7311","0.0008","9.24","0.0007","12.135","0.0008","98.305","0.006","97.293","0.007","105.502","0.007","919.31","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.0922","0.0506","","","0.0985","0.1226","","","","","","1.033","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574237","7.6099","0.0009","9.9948","0.0013","12.3384","0.0012","101.58","0.01","91.165","0.009","107.833","0.011","871.8","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F N4 O -","- C21 H15 F N4 O -","- C42 H30 F2 N8 O2 -","2","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.0866","0.0488","","","0.0956","0.1154","","","","","","1.011","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574238","7.5949","0.0008","9.8677","0.0012","12.6331","0.0014","80.581","0.01","89.927","0.009","73.743","0.01","895.67","0.18","295","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O -","- C22 N4 O -","- C44 N8 O2 -","2","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","","0.71073","MoKα","","0.1743","0.0566","","","0.0916","0.1336","","","","","","0.9242","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574355","12.8637","0.0005","24.5322","0.0006","18.1868","0.0005","90","","109.991","0.003","90","","5393.5","0.3","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49 Cl N6 P2 Ru -","- C56 H49 Cl N6 P2 Ru -","- C224 H196 Cl4 N24 P8 Ru4 -","4","1","","Nath, Shambhu; Singh, Amrendra K.","Substrate-assisted product release in hydrogenation of LOHCs facilitated by hemilabile pyridine in Ru(ii)–NNC pincer complexes and enhanced activity of proton-responsive protic-NHC ligands","Catalysis Science & Technology","2025","15","10","2999","3008","10.1039/D5CY00209E","","","0.71073","MoKα","","0.0839","0.0564","","","0.1196","0.1364","","","","","","1.024","","","","has coordinates","300387","2025-07-06","12:37:37",""
"1574356","13.4509","0.0003","14.0264","0.0003","14.305","0.0002","102.178","0.002","107.581","0.002","95.342","0.002","2479.06","0.09","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 N6 O P2 Ru -","- C56 H50 N6 O P2 Ru -","- C112 H100 N12 O2 P4 Ru2 -","2","1","","Nath, Shambhu; Singh, Amrendra K.","Substrate-assisted product release in hydrogenation of LOHCs facilitated by hemilabile pyridine in Ru(ii)–NNC pincer complexes and enhanced activity of proton-responsive protic-NHC ligands","Catalysis Science & Technology","2025","15","10","2999","3008","10.1039/D5CY00209E","","","0.71073","MoKα","","0.0431","0.0345","","","0.0856","0.0916","","","","","","1.068","","","","has coordinates","300387","2025-07-06","12:37:38",""
"1574394","6.6579","0.0002","22.13","0.0005","7.8468","0.0002","90","","101.462","0.003","90","","1133.08","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes","Catalysis Science & Technology","2025","15","11","3325","3331","10.1039/D5CY00140D","","x-ray","1.54184","CuKα","","0.0423","0.0409","","","0.1062","0.1077","","","","","","1.052","","","","has coordinates","300394","2025-07-06","12:39:32",""
"1574395","6.6423","0.0002","13.8452","0.0003","16.6714","0.0004","79.252","0.002","85.493","0.002","83.62","0.002","1494.31","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","2","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes","Catalysis Science & Technology","2025","15","11","3325","3331","10.1039/D5CY00140D","","x-ray","1.54184","CuKα","","0.0416","0.0376","","","0.0983","0.1011","","","","","","1.067","","","","has coordinates","300394","2025-07-06","12:39:35",""
"1574396","11.9198","0.0002","13.4831","0.0002","22.5889","0.0004","84.99","0.002","84.584","0.001","82.389","0.001","3572.03","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22.33333 Cl Cu N2 O3.66667 -","- C29 H22.3333 Cl Cu N2 O3.66667 -","- C174 H134 Cl6 Cu6 N12 O22 -","6","3","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes","Catalysis Science & Technology","2025","15","11","3325","3331","10.1039/D5CY00140D","","x-ray","1.54184","CuKα","","0.0633","0.0517","","","0.1111","0.1176","","","","","","1.041","","","","has coordinates","300394","2025-07-06","12:39:43",""
"1574636","9.1862","0.0004","12.1495","0.0005","14.5113","0.0007","111.807","0.002","96.893","0.002","100.568","0.002","1446.42","0.12","109","2","109","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Br Cl Co N7 O5 -","- C27 H26 Br Cl Co N7 O5 -","- C54 H52 Br2 Cl2 Co2 N14 O10 -","2","1","","Kukreti, Prashant; Chauhan, Rahul; Ghosh, Kaushik","A passage from pincer complexes to rationally designed phosphine-free Co(iii) catalysts supported by a pentadentate ligand for activation of alcohols: studies on sp3 C–H alkylation of 9H-fluorene and quinoline synthesis","Catalysis Science & Technology","2025","15","13","3816","3826","10.1039/D5CY00422E","","","0.71073","MoKα","","0.0496","0.0373","","","0.0909","0.0978","","","","","","1.051","","","","has coordinates","300389","2025-07-06","12:38:08",""
"1574637","8.6873","0.0004","16.7926","0.0008","18.9662","0.001","85.258","0.002","76.904","0.002","86.461","0.002","2683","0.2","104","2","104","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cl4 Co2 N12 O10 -","- C50 H46 Cl4 Co2 N12 O10 -","- C100 H92 Cl8 Co4 N24 O20 -","2","1","","Kukreti, Prashant; Chauhan, Rahul; Ghosh, Kaushik","A passage from pincer complexes to rationally designed phosphine-free Co(iii) catalysts supported by a pentadentate ligand for activation of alcohols: studies on sp3 C–H alkylation of 9H-fluorene and quinoline synthesis","Catalysis Science & Technology","2025","15","13","3816","3826","10.1039/D5CY00422E","","","0.71073","MoKα","","0.0559","0.048","","","0.1254","0.131","","","","","","1.027","","","","has coordinates","300389","2025-07-06","12:38:09",""
"1574743","20.6843","0.0017","8.2612","0.0006","15.1611","0.0013","90","","117.168","0.007","90","","2304.9","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Rh-2","","","- C18 H29 B F4 N3 Rh -","- C18 H29 B F4 N3 Rh -","- C72 H116 B4 F16 N12 Rh4 -","4","1","","Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael R.; Tallarek, Ulrich","Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow","Catalysis Science & Technology","2025","15","13","4012","4023","10.1039/D5CY00436E","","","0.71073","MoKα","","0.0359","0.0293","","","0.0669","0.0702","","","","","","1.056","","","","has coordinates,has disorder","300388","2025-07-06","12:37:52",""
"1574744","9.756","0.005","11.147","0.005","13.527","0.007","75.446","0.016","83.737","0.016","73.626","0.017","1365","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Rh-1","","","- C26 H31 B Cl2 F4 N3 Rh -","- C26 H31 B Cl2 F4 N3 Rh -","- C52 H62 B2 Cl4 F8 N6 Rh2 -","2","1","","Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael R.; Tallarek, Ulrich","Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow","Catalysis Science & Technology","2025","15","13","4012","4023","10.1039/D5CY00436E","","","0.71073","MoKα","","0.1744","0.0835","","","0.1421","0.1602","","","","","","1.04","","","","has coordinates","300388","2025-07-06","12:37:53",""
"1574994","28.9107","0.0009","14.6104","0.0006","9.1891","0.0003","90","","90","","90","","3881.4","0.2","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H18 Cl2 N2 O2 S -","- C19 H18 Cl2 N2 O2 S -","- C152 H144 Cl16 N16 O16 S8 -","8","1","","Vijay, Ragupathi; Yogesh, Dasari; Shanmugam, Ramasamy; Lingaiah, Nakka; Ponpandian, Thanasekaran; Gunasekar, Gunniya Hariyanandam","A metal-free porous organic polymer-based heterogeneous catalyst for the borrowing hydrogen-mediated N-alkylation of sulfonamides with alcohols","Catalysis Science & Technology","2025","15","16","4684","4691","10.1039/D5CY00562K","","","0.71073","MoKα","","0.0774","0.0441","","","0.1087","0.1269","","","","","","1.017","","","","has coordinates,has disorder","302393","2025-10-06","06:32:41",""
"1575106","7.608","0.003","14.414","0.004","11.847","0.004","90","","102.228","0.012","90","","1269.7","0.7","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O4 S -","- C25 H37 N3 O4 S -","- C50 H74 N6 O8 S2 -","2","1","","Yang, Zhongzhen; Li, Li; Chen, Jian; Hou, Jinyu; Fan, Hongying; Zhang, Xue; Lv, Guanghui; Wu, Yong","Cost-effective chiral auxiliary-assisted remote asymmetric C(sp3)–H alkylation of hydroxamic acid derivatives with glycine derivatives","Catalysis Science & Technology","2025","15","16","4866","4871","10.1039/D5CY00604J","","","0.71073","MoKα","","0.0593","0.0411","","","0.0963","0.1074","","","","","","1.02","","","","has coordinates","302392","2025-10-06","06:32:30",""
"1575233","15.2233","0.0007","11.5814","0.0005","25.9382","0.0015","90","","99.271","0.005","90","","4513.4","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl2 N4 Ni2 O2 P2 -","- C50 H40 Cl2 N4 Ni2 O2 P2 -","- C200 H160 Cl8 N16 Ni8 O8 P8 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions","Catalysis Science & Technology","2025","15","18","5275","5284","10.1039/D5CY00718F","","x-ray","0.71073","MoKα","","0.1053","0.0642","","","0.1473","0.1701","","","","","","1.038","","","","has coordinates","302394","2025-10-06","06:32:59",""
"1575234","10.5132","0.0006","10.9249","0.0006","14.5672","0.0009","107.373","0.005","107.332","0.005","95.323","0.005","1493.66","0.17","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cl5 N2 Ni O2 P -","- C28 H26 Cl5 N2 Ni O2 P -","- C56 H52 Cl10 N4 Ni2 O4 P2 -","2","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions","Catalysis Science & Technology","2025","15","18","5275","5284","10.1039/D5CY00718F","","x-ray","0.71073","MoKα","","0.0853","0.0504","","","0.117","0.1328","","","","","","1.003","","","","has coordinates","302394","2025-10-06","06:32:59",""
"1575235","9.2533","0.0002","14.3859","0.0003","15.5532","0.0004","90","","90","","90","","2070.4","0.08","150","0.1","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N2 O2 P -","- C25 H21 N2 O2 P -","- C100 H84 N8 O8 P4 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions","Catalysis Science & Technology","2025","15","18","5275","5284","10.1039/D5CY00718F","","","0.71073","MoKα","","0.0671","0.0445","","","0.0859","0.0938","","","","","","1.049","","","","has coordinates","302394","2025-10-06","06:32:59",""
"1575277","11.013","0.003","15.456","0.004","18.53","0.005","86.382","0.009","89.951","0.008","79.749","0.008","3097.4","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 N6 O16 Zn2 -","- C70 H66 N6 O16 Zn2 -","- C140 H132 N12 O32 Zn4 -","2","1","","Chanda, Alokananda; Mandal, Sanjay K.","Synthesis of metal–organic rectangles decorated with primary amide groups for the synergistic Lewis acid and Brønsted base heterogeneous catalysis","Catalysis Science & Technology","2025","15","21","6379","6390","10.1039/D5CY00798D","","","0.71073","MoKα","","0.1135","0.1124","","","0.2811","0.2818","","","","","","1.037","","","","has coordinates","303507","2025-11-29","17:12:56",""
"1575278","11.0764","0.001","15.4916","0.0015","18.8224","0.0017","86.924","0.003","89.289","0.003","80.435","0.003","3180.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 Cd2 N6 O14 -","- C70 H66 Cd2 N6 O14 -","- C140 H132 Cd4 N12 O28 -","2","1","","Chanda, Alokananda; Mandal, Sanjay K.","Synthesis of metal–organic rectangles decorated with primary amide groups for the synergistic Lewis acid and Brønsted base heterogeneous catalysis","Catalysis Science & Technology","2025","15","21","6379","6390","10.1039/D5CY00798D","","","0.71073","MoKα","","0.026","0.0251","","","0.0733","0.0745","","","","","","1.036","","","","has coordinates","303507","2025-11-29","17:12:56",""
"1575307","13.043","0.0004","12.8084","0.0004","9.2763","0.0003","90","","103.57","0.001","90","","1506.44","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cu N10 O8 -","- C30 H28 Cu N10 O8 -","- C60 H56 Cu2 N20 O16 -","2","0.5","","Shekhawat, Bhawana; Ahamed, Subuhan; Gahlaut, Puneet Singh; Ghosh, Saurav; Gautam, Deepak; Mondal, Kartik Chandra; Jana, Barun","Developing highly active Cu(ii)-triazolyl-pyridine complexes for C–H functionalization of 9H-fluorene and indole via a borrowing hydrogen strategy","Catalysis Science & Technology","2025","15","20","6001","6010","10.1039/D5CY00610D","","","0.71073","MoKα","","0.0441","0.0325","","","0.0779","0.0839","","","","","","1.027","","","","has coordinates,has disorder","303503","2025-11-29","17:11:03",""
"1575346","9.7905","0.0002","10.0718","0.0003","19.157","0.0005","90","","101.244","0.001","90","","1852.77","0.08","102","2","102","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F2 N2 O -","- C24 H18 F2 N2 O -","- C96 H72 F8 N8 O4 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0647","0.0458","","","0.1069","0.1192","","","","","","1.032","","","","has coordinates","303499","2025-11-29","17:06:44",""
"1575347","11.1239","0.0002","12.7204","0.0002","13.2024","0.0002","63.376","0.001","66.687","0.001","81.235","0.001","1533","0.05","102","0.2","102","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","2","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0643","0.0542","","","0.1289","0.138","","","","","","1.036","","","","has coordinates,has disorder","303499","2025-11-29","17:06:48",""
"1575348","14.4049","0.0002","18.5983","0.0003","20.5244","0.0003","90","","101.301","0.001","90","","5392.01","0.14","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C107 H99 Cl21 N12 -","- C107 H99 Cl21 N12 -","- C214 H198 Cl42 N24 -","2","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0659","0.0557","","","0.1337","0.1432","","","","","","1.025","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575349","11.5413","0.0006","10.3509","0.0005","17.336","0.0009","90","","90.988","0.002","90","","2070.7","0.18","103","2","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0599","0.0448","","","0.0976","0.1077","","","","","","1.045","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575350","13.4176","0.0014","10.0308","0.001","20.418","0.002","90","","90.608","0.004","90","","2747.9","0.5","300","2","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br2 N7 Zn -","- C27 H23 Br2 N7 Zn -","- C108 H92 Br8 N28 Zn4 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0607","0.033","","","0.0663","0.0755","","","","","","1.005","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575351","12.9508","0.0005","12.6674","0.0005","15.626","0.0006","90","","92.365","0.002","90","","2561.31","0.17","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl2 N7 Zn -","- C27 H23 Cl2 N7 Zn -","- C108 H92 Cl8 N28 Zn4 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.051","0.0438","","","0.1092","0.1153","","","","","","1.052","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575352","20.8911","0.0004","16.258","0.0004","23.8268","0.0006","90","","115.63","0.002","90","","7296.4","0.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Cl2 N7 Zn -","- C35 H27 Cl2 N7 Zn -","- C280 H216 Cl16 N56 Zn8 -","8","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0856","0.09","","","","","","1.043","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575447","11.9352","0.0012","9.6405","0.0011","22.561","0.003","90","","102.676","0.003","90","","2532.6","0.5","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C116 H120 N8 O8 -","4","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","","0.71073","MoKα","","0.0953","0.0617","","","0.1614","0.185","","","","","","1.025","","","","has coordinates","302391","2025-10-06","06:32:15",""
"1575448","9.162","0.0004","9.3673","0.0005","12.3869","0.0006","82.918","0.004","72.624","0.004","69.889","0.004","952.46","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C52 H38 N2 O4 -","2","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","x-ray","0.71073","MoKα","","0.0468","0.0399","","","0.0906","0.0965","","","","","","1.079","","","","has coordinates","302391","2025-10-06","06:32:17",""
"1575449","8.9193","0.001","10.1578","0.0011","13.6811","0.0014","69.54","0.003","87.768","0.004","68.277","0.003","1073","0.2","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H20 Br2 -","- C27 H20 Br2 -","- C54 H40 Br4 -","2","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","","0.71073","MoKα","","0.0614","0.038","","","0.0887","0.099","","","","","","1.043","","","","has coordinates","302391","2025-10-06","06:32:18",""
"1575450","10.1389","0.0011","11.2656","0.0013","18.8705","0.0017","90","","91.136","0.004","90","","2155","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br2 N O2 -","- C26 H17 Br2 N O2 -","- C104 H68 Br8 N4 O8 -","4","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","","0.71073","MoKα","","0.0949","0.0527","","","0.1134","0.1344","","","","","","0.9936","","","","has coordinates","302391","2025-10-06","06:32:18",""
"1575589","14.0391","0.0002","14.1908","0.0002","16.3182","0.0004","75.8345","0.0018","72.468","0.002","71.7946","0.0015","2903.83","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H30 Al Cl4 Li N2 O7 -","- C25 H30 Al Cl4 Li N2 O7 -","- C100 H120 Al4 Cl16 Li4 N8 O28 -","4","2","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","1.54184","CuKα","","0.0449","0.039","","","0.1014","0.1046","","","","","","1.054","","","","has coordinates,has disorder","303505","2025-11-29","17:12:19",""
"1575590","15.915","0.0003","24.9116","0.0004","16.1264","0.0003","90","","99.907","0.002","90","","6298.3","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50.44 H56.88 Cl10.88 Li2 N4 O12 Zn2 -","- C50.44 H56.88 Cl10.88 Li2 N4 O12 Zn2 -","- C201.76 H227.52 Cl43.52 Li8 N16 O48 Zn8 -","4","1","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","0.71073","MoKα","","0.0722","0.0564","","","0.1428","0.15","","","","","","1.021","","","","has coordinates,has disorder","303505","2025-11-29","17:12:20",""
"1575591","22.8774","0.0004","19.3305","0.0002","26.1585","0.0004","90","","115.824","0.002","90","","10412.9","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H106 Cl10 Li8 N8 O24 -","- C97.001 H106.002 Cl10.002 Li8 N8 O24 -","- C388.004 H424.008 Cl40.008 Li32 N32 O96 -","4","1","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","1.54184","CuKα","","0.0998","0.0872","","","0.2358","0.2514","","","","","","1.023","","","","has coordinates,has disorder","303505","2025-11-29","17:12:20",""
"1575592","9.241","0.0001","19.9078","0.0001","13.6849","0.0001","90","","96.153","0.001","90","","2503.08","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl2 In Li N2 O6 -","- C23 H24 Cl2 In Li N2 O6 -","- C92 H96 Cl8 In4 Li4 N8 O24 -","4","1","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","1.54184","CuKα","","0.0216","0.0206","","","0.0528","0.0533","","","","","","1.0525","","","","has coordinates","303505","2025-11-29","17:12:20",""
"1575710","6.736","0.0006","8.2286","0.0008","11.389","0.0011","90","","90","","90","","631.27","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","","0.71073","MoKα","","0.0293","0.0277","","","0.0746","0.0757","","","","","","1.091","","","","has coordinates","303504","2025-11-29","17:11:18",""
"1575711","9.3362","0.0003","8.1868","0.0002","17.6318","0.0004","90","","100.416","0.003","90","","1325.45","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0394","0.0342","","","0.09","0.094","","","","","","1.052","","","","has coordinates","303504","2025-11-29","17:11:19",""
"1575712","4.4623","0.00007","11.6506","0.0002","19.6409","0.0003","90","","90","","90","","1021.1","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F O3 -","- C13 H9 F O3 -","- C52 H36 F4 O12 -","4","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0229","0.0226","","","0.0595","0.0597","","","","","","1.057","","","","has coordinates","303504","2025-11-29","17:11:19",""
"1575713","12.8443","0.0004","10.8782","0.0003","8.8986","0.0003","90","","90","","90","","1243.34","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C8 H7 O -","- C8 H6.75 O -","- C64 H54 O8 -","8","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0317","0.0304","","","0.0771","0.078","","","","","","1.077","","","","has coordinates,has disorder","303504","2025-11-29","17:11:19",""
"1575714","7.82007","0.00019","23.6447","0.0006","12.4839","0.0003","90","","107.187","0.003","90","","2205.24","0.1","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0455","0.0385","","","0.1011","0.1059","","","","","","1.058","","","","has coordinates","303504","2025-11-29","17:11:19",""
"1575809","14.4959","0.0003","12.8299","0.0003","16.1978","0.0003","90","","97.922","0.002","90","","2983.73","0.11","100","0.3","100","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F24 N2 O5 Ti -","- C19 H19 F24 N2 O5 Ti -","- C76 H76 F96 N8 O20 Ti4 -","4","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","0.71073","MoKα","","0.0679","0.046","","","0.1111","0.1206","","","","","","1.031","","","","has coordinates,has disorder","303502","2025-11-29","17:09:59",""
"1575810","12.1293","0.0001","12.741","0.0001","20.1157","0.0002","90","","92.442","0.001","90","","3105.85","0.05","100.04","0.18","100.04","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 F12 N4 O6 Ti2 -","- C20 H36 F12 N4 O6 Ti2 -","- C80 H144 F48 N16 O24 Ti8 -","4","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0367","0.0322","","","0.0839","0.0874","","","","","","1.045","","","","has coordinates,has disorder","303502","2025-11-29","17:10:11",""
"1575811","9.5425","0.0002","9.6023","0.0002","9.937","0.0002","67.895","0.002","79.245","0.002","63.17","0.002","752.63","0.03","100","0.17","100","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 F12 N4 O6 Ti2 -","- C20 H34 F12 N4 O6 Ti2 -","- C20 H34 F12 N4 O6 Ti2 -","1","0.5","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0332","0.033","","","0.0918","0.092","","","","","","1.063","","","","has coordinates,has disorder","303502","2025-11-29","17:10:15",""
"1575812","15.9682","0.0002","12.0478","0.0001","28.9061","0.0003","90","","90","","90","","5561","0.1","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F24 N2 O4 Ti -","- C18 H18 F24 N2 O4 Ti -","- C144 H144 F192 N16 O32 Ti8 -","8","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","0.71073","MoKα","","0.0347","0.0288","","","0.0719","0.0749","","","","","","1.028","","","","has coordinates","303502","2025-11-29","17:10:15",""
"1575813","19.5163","0.0002","17.4673","0.0002","19.7943","0.0003","90","","90","","90","","6747.82","0.15","100","0.3","100","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H30 F18 N2 O8 Ti2 -","- C21 H30 F18 N2 O8 Ti2 -","- C168 H240 F144 N16 O64 Ti16 -","8","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0564","0.0482","","","0.1283","0.1337","","","","","","1.053","","","","has coordinates","303502","2025-11-29","17:10:27",""
"1575814","24.6382","0.0002","12.0552","0.0001","62.6466","0.0004","90","","90","","90","","18607.2","0.2","100","0.3","100","0.3","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H40 F24 N4 O6 Ti2 -","- C31 H40 F24 N4 O6 Ti2 -","- C496 H640 F384 N64 O96 Ti32 -","16","4","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.054","0.0513","","","0.1233","0.1253","","","","","","1.035","","","","has coordinates,has disorder","303502","2025-11-29","17:10:31",""
"1575815","15.4951","0.0001","13.2894","0.0001","32.9588","0.0002","90","","94.742","0.001","90","","6763.66","0.08","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H59.5 Cl1.5 F24 N5 O17 Ti5 -","- C37.5 H59.5 Cl1.5 F24 N5 O17 Ti5 -","- C150 H238 Cl6 F96 N20 O68 Ti20 -","4","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0503","0.0488","","","0.139","0.1404","","","","","","1.044","","","","has coordinates","303502","2025-11-29","17:10:43",""
"1575816","24.66436","0.0001","12.04568","0.00005","62.6972","0.0003","90","","90","","90","","18627.3","0.14","100","0.3","100","0.3","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.5 H36 F24 N4 O6 Ti2 -","- C27.5 H36 F24 N4 O6 Ti2 -","- C440 H576 F384 N64 O96 Ti32 -","16","4","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.059","0.0588","","","0.1529","0.153","","","","","","1.052","","","","has coordinates","303502","2025-11-29","17:10:43",""
"1575817","14.985","0.007","11.002","0.005","20.12","0.009","90","","102.416","0.011","90","","3240","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br4 Fe2 N6 -","- C30 H26 Br4 Fe2 N6 -","- C120 H104 Br16 Fe8 N24 -","4","1","","Pradhan, Chandini; Dubey, Shivansh; Samal, Pragnya Paramita; Krishnamurty, Sailaja; Punji, Benudhar","syn-Selective hydrosilylation and hydroboration of alkynes at room temperature catalyzed by a phosphine-free (NNN)Fe(ii) complex","Catalysis Science & Technology","2025","15","22","6716","6725","10.1039/D5CY00766F","","","0.71073","MoKα","","0.2209","0.0896","","","0.1901","0.2476","","","","","","1.021","","","","has coordinates,has disorder","303500","2025-11-29","17:07:05",""
"1575841","9.3612","0.0004","10.4559","0.0004","24.2055","0.001","79.16","0.002","85.944","0.002","80.855","0.002","2295.34","0.16","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54 Br Mn O6 P2 -","- C49 H54 Br Mn O6 P2 -","- C98 H108 Br2 Mn2 O12 P4 -","2","1","","Jiménez, Verónica; González, Carmen; Serrano, Joaquín López; Fernández de Córdova, Francisco; Pizzano, Antonio","Non-bifunctional Mn catalysts based on phosphine–phosphites for the hydrogenation of carbonyl substrates","Catalysis Science & Technology","2025","15","22","6666","6677","10.1039/D5CY00906E","","x-ray","0.71073","MoKα","","0.0547","0.0343","","","0.0717","0.0816","","","","","","1.052","","","","has coordinates,has disorder","303501","2025-11-29","17:07:15",""
"1575940","12.3883","0.0003","17.3876","0.0004","19.7078","0.0004","90","","101.242","0.001","90","","4163.66","0.16","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Br2 Cl2 F4 N3 Ni O -","- C44 H37 Br2 Cl2 F4 N3 Ni O -","- C176 H148 Br8 Cl8 F16 N12 Ni4 O4 -","4","1","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0378","0.034","","","0.0963","0.0994","","","","","","1.031","","","","has coordinates","302358","2025-10-03","22:17:23",""
"1575941","37.6585","0.001","10.2241","0.0003","22.1231","0.0006","90","","122.034","0.001","90","","7220.9","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 Br2 F4 N3 Ni -","- C42 H33 Br2 F4 N3 Ni -","- C336 H264 Br16 F32 N24 Ni8 -","8","1","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0253","0.0252","","","0.0666","0.0666","","","","","","1.089","","","","has coordinates","302358","2025-10-03","22:17:25",""
"1575942","31.6383","0.0016","10.6227","0.0006","27.4917","0.0014","90","","107.361","0.002","90","","8818.6","0.8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H61 Br4 Cl9 F14 N4 Ni2 -","- C84 H60 Br4 Cl6 F14 N4 Ni2 -","- C336 H240 Br16 Cl24 F56 N16 Ni8 -","4","0.5","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0569","0.0402","","","0.1027","0.1064","","","","","","1.069","","","","has coordinates,has disorder","302358","2025-10-03","22:17:25",""
"1575943","16.7042","0.0013","13.9391","0.0011","36.092","0.003","90","","102.438","0.003","90","","8206.5","1.1","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H35 Br3 F4 N4 Ni -","- C44 H35 Br3 F4 N4 Ni -","- C352 H280 Br24 F32 N32 Ni8 -","8","2","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0472","0.0461","","","0.1229","0.1256","","","","","","1.082","","","","has coordinates","302358","2025-10-03","22:17:25",""
"1575944","32.1203","0.001","17.5007","0.0005","21.208","0.0007","90","","130.266","0.001","90","","9096.8","0.5","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H39.5 Br2 F4 N6.5 Ni O2 -","- C42 H32 Br2 F4 N4 Ni O2 -","- C336 H256 Br16 F32 N32 Ni8 O16 -","8","1","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0358","0.0339","","","0.0884","0.0903","","","","","","1.059","","","","has coordinates","302358","2025-10-03","22:17:26",""
"1575945","11.7367","0.0004","16.4401","0.0005","23.1393","0.0007","100.01","0.001","94.007","0.001","101.121","0.001","4289.5","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C188 H196 Br8 F16 N8 Ni4 O10 -","- C180 H176 Br8 F16 N8 Ni4 O8 -","- C180 H176 Br8 F16 N8 Ni4 O8 -","1","0.5","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0285","0.0284","","","0.0737","0.0738","","","","","","1.094","","","","has coordinates","302358","2025-10-03","22:17:26",""
"1575973","7.181","0.0006","19.2695","0.0018","25.099","0.002","90","","98.181","0.002","90","","3437.7","0.5","145","2","145","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Rh6","","","- C29 H40 B Cl3 F4 N3 O3 Rh Si -","- C29 H40 B Cl3 F4 N3 O3 Rh Si -","- C116 H160 B4 Cl12 F16 N12 O12 Rh4 Si4 -","4","1","","Atwi, Boshra; Wang, Dongren; Bruckner, Johanna R.; Frey, Wolfgang; Buchmeiser, Michael R.","Confinement-induced Z-selectivity in the rhodium N-heterocyclic carbene-catalyzed hydroboration of terminal alkynes","Catalysis Science & Technology","2025","15","23","7059","7066","10.1039/D5CY00860C","","","0.71073","MoKα","","0.0817","0.053","","","0.1167","0.132","","","","","","1.048","","","","has coordinates,has disorder","303506","2025-11-29","17:12:40",""
"1575974","7.1511","0.0004","18.5598","0.0014","24.6117","0.0018","90","","94.408","0.003","90","","3256.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Rh5","","","- C29 H40 Cl4 N3 O3 Rh Si -","- C29 H40 Cl4 N3 O3 Rh Si -","- C116 H160 Cl16 N12 O12 Rh4 Si4 -","4","1","","Atwi, Boshra; Wang, Dongren; Bruckner, Johanna R.; Frey, Wolfgang; Buchmeiser, Michael R.","Confinement-induced Z-selectivity in the rhodium N-heterocyclic carbene-catalyzed hydroboration of terminal alkynes","Catalysis Science & Technology","2025","15","23","7059","7066","10.1039/D5CY00860C","","","0.71073","MoKα","","0.1321","0.0586","","","0.1031","0.1217","","","","","","1.024","","","","has coordinates","303506","2025-11-29","17:12:41",""
"1575975","11.089","0.002","12.165","0.003","14.201","0.005","99.026","0.008","101.031","0.008","116.881","0.006","1611","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Rh3","","","- C28 H43 B F4 N3 O4 Rh Si -","- C28 H43 B F4 N3 O4 Rh Si -","- C56 H86 B2 F8 N6 O8 Rh2 Si2 -","2","1","","Atwi, Boshra; Wang, Dongren; Bruckner, Johanna R.; Frey, Wolfgang; Buchmeiser, Michael R.","Confinement-induced Z-selectivity in the rhodium N-heterocyclic carbene-catalyzed hydroboration of terminal alkynes","Catalysis Science & Technology","2025","15","23","7059","7066","10.1039/D5CY00860C","","","0.71073","MoKα","","0.0669","0.0473","","","0.1136","0.1236","","","","","","1.045","","","","has coordinates,has disorder","303506","2025-11-29","17:12:41",""