# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:32:20+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 'ACS Catalysis') AND volume = 5 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
"4512454","5.4051","0.0006","35.529","0.004","16.8799","0.0019","90","","99.541","0.008","90","","3196.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","2","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","1.54178","CuKα","","0.0808","0.063","","","0.1659","0.1835","","","","","","1.062","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512455","5.1067","0.0002","11.928","0.0004","15.558","0.0005","90","","96.711","0.002","90","","941.19","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","0.71073","MoKα","","0.0505","0.0364","","","0.075","0.0795","","","","","","1.062","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512456","12.878","0.017","15.68","0.02","19.97","0.03","90","","90","","90","","4032","10","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F4 N O4 -","- C22 H19 F4 N O4 -","- C176 H152 F32 N8 O32 -","8","2","","Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M.","Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent","ACS Catalysis","2015","5","1","336","","10.1021/cs501744e","","x-ray","1.54178","CuKα","","0.0238","0.0233","","","0.0603","0.0605","","","","","","1.061","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512457","28.443","0.002","8.4569","0.0007","22.9631","0.0016","90","","107.39","0.009","90","","5271.1","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C176 H220 Cl16 N28 Ni8 O64 P8 -","8","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.0632","0.0574","","","0.1643","0.1696","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512458","8.7289","0.0007","8.7999","0.0007","13.9708","0.0011","93.47","0.007","106.608","0.007","93.681","0.007","1022.76","0.15","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H25 Cl2 N3 Ni O8 S -","- C15 H25 Cl2 N3 Ni O8 S -","- C30 H50 Cl4 N6 Ni2 O16 S2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.0489","0.0473","","","0.1251","0.1263","","","","","","1.034","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512459","8.0156","0.0005","12.2115","0.0008","19.7215","0.0012","91.373","0.005","99.117","0.005","93.388","0.005","1901.6","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C60 H84 Cl8 N12 Ni4 O16 S4 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.071","0.0637","","","0.1661","0.1709","","","","","","1.091","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512460","9.3883","0.0004","13.0308","0.0006","13.093","0.0006","79.943","0.004","89.364","0.004","73.953","0.004","1514.52","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cl2 N3 Ni O9 P -","- C24 H36 Cl2 N3 Ni O9 P -","- C48 H72 Cl4 N6 Ni2 O18 P2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.1195","0.1106","","","0.2796","0.2828","","","","","","1.114","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512489","16.847","0.0003","13.0275","0.0002","16.3223","0.0012","90","","96.25","0.007","90","","3561","0.3","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br Fe N5 -","- C20 H16 Br Fe N5 -","- C160 H128 Br8 Fe8 N40 -","8","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0398","0.039","","","0.1091","0.1097","","","","","","1.099","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512490","8.4756","0.0002","8.8071","0.0003","18.6806","0.0013","99.732","0.007","90.796","0.006","112.598","0.008","1264.06","0.13","85","2","85","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H24 F3 Fe N5 O4 S -","- C25 H24 F3 Fe N5 O4 S -","- C50 H48 F6 Fe2 N10 O8 S2 -","2","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0788","0.0735","","","0.2118","0.2194","","","","","","1.155","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512491","10.7036","0.0002","12.1278","0.0002","12.2733","0.0009","66.351","0.005","73.133","0.005","69.747","0.005","1347.8","0.12","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 F6 Fe N5 O6 S2 -","- C23 H19 F6 Fe N5 O6 S2 -","- C46 H38 F12 Fe2 N10 O12 S4 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0365","0.0362","","","0.0962","0.0965","","","","","","1.037","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512510","12.089","0.0019","9.0476","0.0014","36.982","0.006","90","","91.534","0.002","90","","4043.5","1.1","177","2","177","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 F3 N3 O7 P Re S -","- C39.999 H35.998 Cl1.998 F3 N3 O7 P Re S -","- C159.996 H143.992 Cl7.992 F12 N12 O28 P4 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","0.71073","MoKα","","0.0266","0.0214","","","0.0498","0.0522","","","","","","1.03","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512511","11.209","0.0004","11.6194","0.0004","37.5809","0.0014","90","","90","","90","","4894.6","0.3","183","","183","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H46 F3 N2 O7 P2 Re S -","- C55 H46 F3 N2 O7 P2 Re S -","- C220 H184 F12 N8 O28 P8 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","1.54178","CuKα","","0.0348","0.0329","","","0.0825","0.0843","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4512512","17.8016","0.0002","12.0498","0.0002","18.7953","0.0002","90","","117.63","0.001","90","","3571.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Co N3 Si -","- C37 H56 Co N3 Si -","- C148 H224 Co4 N12 Si4 -","4","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54178","CuKα","","0.0282","0.0257","","","0.0625","0.0638","","","","","","1.032","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512513","16.1764","0.0011","9.2233","0.0005","18.8751","0.0012","90","","92.623","0.002","90","","2813.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N2 -","- C31 H45 Co N2 -","- C124 H180 Co4 N8 -","4","0.5","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0809","0.0648","","","0.162","0.1766","","","","","","1.062","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512514","38.978","0.005","10.046","0.005","18.259","0.005","90","0.005","104.3","0.005","90","0.005","6928","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 Co N2 -","- C38 H57 Co N2 -","- C304 H456 Co8 N16 -","8","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0396","0.0327","","","0.0815","0.0856","","","","","","1.053","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512515","11.086","0.005","19.096","0.005","16.774","0.005","90","","94.52","0.005","90","","3540","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Co N3 Si -","- C19 H22 Co N3 Si -","- C152 H176 Co8 N24 Si8 -","8","2","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54184","CuKα","","0.1014","0.0698","","","0.1698","0.1918","","","","","","1.043","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512516","31.103","0.003","31.103","0.003","9.4729","0.0012","90","","90","","120","","7936.3","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H21 Cl Co N2 Si -","- C14 H21 Cl Co N2 Si -","- C252 H378 Cl18 Co18 N36 Si18 -","18","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0431","0.0374","","","0.0901","0.0943","","","","","","1.04","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512529","13.869","0.0002","16.834","0.0002","16.985","0.0002","90","","90","","90","","3965.5","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H40 F4 N3 O P Ru -","- C45 H40 F4 N3 O P Ru -","- C180 H160 F16 N12 O4 P4 Ru4 -","4","1","","McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K.","Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage","ACS Catalysis","2015","5","2","776","","10.1021/cs501644r","","","0.71073","MoKα","","0.0337","0.0279","","","0.061","0.0635","","","","","","1.063","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512584","16.1973","0.0014","9.2551","0.0007","18.251","0.002","90","","90","","90","","2736","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H20 Cl N3 Ni -","- C12 H20 Cl N3 Ni -","- C96 H160 Cl8 N24 Ni8 -","8","2","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.056","0.0367","","","0.0595","0.0651","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512585","9.7694","0.0008","14.6639","0.0017","12.8939","0.0012","90","","100.806","0.007","90","","1814.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 Ni -","- C20 H25 N3 Ni -","- C80 H100 N12 Ni4 -","4","1","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.0868","0.0566","","","0.1115","0.1242","","","","","","1.267","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512586","14.7034","0.0006","15.3502","0.0007","30.5317","0.0013","81.607","0.004","77.192","0.004","79.041","0.004","6558.1","0.5","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C144 H154 B2 Fe3 O13 P8 -","- C144 H134 B2 Fe3 O13 P8 -","- C288 H268 B4 Fe6 O26 P16 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1915","0.0928","","","0.2255","0.286","","","","","","0.988","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512587","11.3961","0.0004","11.8042","0.0004","14.9611","0.0004","88.014","0.002","81.462","0.002","63.904","0.003","1786.33","0.11","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C42 H44 Fe P4 -","- C42 H44 Fe P4 -","- C84 H88 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.0467","0.0362","","","0.0882","0.0985","","","","","","0.976","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512588","11.6311","0.0004","12.2422","0.0004","18.0737","0.0003","104.224","0.003","98.681","0.003","106.392","0.003","2325.12","0.14","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C49 H58 B F4 Fe N P4 -","- C49 H46 B F4 Fe N P4 -","- C98 H92 B2 F8 Fe2 N2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1261","0.1003","","","0.272","0.2994","","","","","","1.083","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512589","12.4918","0.0006","13.5351","0.0007","19.2058","0.0009","92.091","0.004","105.612","0.004","94.273","0.004","3113.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H63 B Fe P4 -","- C66 H63 B Fe P4 -","- C132 H126 B2 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71073","MoKα","","0.08","0.0551","","","0.1512","0.1659","","","","","","1.028","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512590","33.6116","0.0014","14.8734","0.0008","20.7957","0.001","90","","105.833","0.004","90","","10001.7","0.9","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H117 B4 F16 Fe2 N7 P8 -","- C103 H114 B4 F16 Fe2 N7 P8 -","- C412 H456 B16 F64 Fe8 N28 P32 -","4","0.5","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71069","MoKα","","0.1202","0.0771","","","0.2044","0.2393","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512815","9.2602","0.0007","20.7179","0.0014","14.2353","0.0011","90","","97.2","0.002","90","","2709.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(7PPh2NDPM1)2](BF4)2","","","- C58 H58 B2 F8 N2 Ni P4 -","- C58 H58 B2 F8 N2 Ni P4 -","- C116 H116 B4 F16 N4 Ni2 P8 -","2","0.5","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.085","0.0526","","","0.1277","0.1435","","","","","","1.019","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512816","10.3197","0.0002","13.2465","0.0003","19.7249","0.0005","94.91","0.001","101.046","0.001","109.554","0.001","2460.92","0.1","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C76 H88 B4 Cl8 F28 N4 Ni2 O8 P8 -","2","1","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.1214","0.0725","","","0.1828","0.2114","","","","","","1.021","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512852","16.9742","0.0009","17.1155","0.0008","50.282","0.003","90","","90","","90","","14608","1.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H81 F12 Fe2 N9 O18 S4 -","- C58 H81 F12 Fe2 N9 O18 S4 -","- C464 H648 F96 Fe16 N72 O144 S32 -","8","2","","Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P.","EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes","ACS Catalysis","2015","5","5","2702","","10.1021/acscatal.5b00169","","x-ray","0.71073","MoKα","","0.0752","0.0644","","","0.1604","0.1657","","","","","","1.052","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512854","9.4555","0.0015","12.671","0.002","13.141","0.002","89.372","0.007","83.024","0.008","70.301","0.007","1470.6","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 F3 N2 O4 S -","- C31 H27 F3 N2 O4 S -","- C62 H54 F6 N4 O8 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.2602","0.169","","","0.4462","0.4905","","","","","","1.644","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512855","10.6172","0.0005","12.7911","0.0007","14.6372","0.0007","102.793","0.004","106.868","0.003","96.17","0.004","1823.39","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 F3 N2 O3 S -","- C45 H31 F3 N2 O3 S -","- C90 H62 F6 N4 O6 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.1744","0.1189","","","0.3443","0.4055","","","","","","1.337","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512856","12.301","0.005","5.883","0.002","8.098","0.003","90","","95.547","0.008","90","","583.3","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eisad02","","","- C12 H10 N2 Ni S2 -","- C12 H10 N2 Ni S2 -","- C24 H20 N4 Ni2 S4 -","2","0.5","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1129","0.0655","","","0.1376","0.1596","","","","","","1.036","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512857","8.3237","0.0012","11.0567","0.0016","15.928","0.002","92.197","0.003","99.883","0.003","94.145","0.003","1438.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","eisad03","","","- C20 H36 N2 Ni O4 S6 -","- C20 H36 N2 Ni O4 S6 -","- C40 H72 N4 Ni2 O8 S12 -","2","1","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1182","0.0839","","","0.2434","0.2689","","","","","","1.068","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512930","9.8502","0.0008","13.6853","0.0011","16.4912","0.0013","90","","90","","90","","2223.1","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","","Bae, Han Yong; Song, Choong Eui","Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes","ACS Catalysis","2015","5","6","3613","","10.1021/acscatal.5b00685","","","0.71073","MoKα","","0.0985","0.0635","","","0.16","0.1974","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512945","10.795","0.0002","12.6416","0.0004","14.6957","0.0004","65.979","0.003","89.9734","0.0019","71.994","0.002","1723.83","0.09","110","0.14","110","0.14","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Br Co N2 O2 -","- C36 H52 Br Co N2 O2 -","- C72 H104 Br2 Co2 N4 O4 -","2","2","","North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao","Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling","ACS Catalysis","2015","5","6","3398","","10.1021/acscatal.5b00235","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.081","0.0845","","","","","","1.025","","","","has coordinates,has disorder","154538","2020-10-21","18:00:00",""
"4512946","8.167","0.004","8.306","0.005","10.825","0.006","91.64","0.012","99.308","0.012","92.741","0.011","723.3","0.7","297","1","297","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C32 H24 F6 N2 O4 -","2","1","","Albaladejo, María José; Alonso, Francisco; González-Soria, María José","Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones","ACS Catalysis","2015","5","6","3446","","10.1021/acscatal.5b00417","","","0.71073","MoKα","","0.0805","0.0497","","","0.1452","0.1699","","","","","","1.008","","","","has coordinates,has disorder","140056","2020-10-21","18:00:00",""
"4512947","13.234","0.003","17.661","0.004","20.966","0.004","90","","93.12","0.03","90","","4893","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","1","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0602","0.0401","","","0.0985","0.1096","","","","","","1.081","","","","has coordinates,has disorder","140058","2020-10-21","18:00:00",""
"4512948","16.187","0.003","19.43","0.004","14.641","0.003","90","","90","","90","","4604.8","1.6","120","2","120","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Bi2 Na4 O98.55 W18 Zn6 -","- Bi2 Na4 O98.56 W18 Zn6 -","- Bi4 Na8 O197.12 W36 Zn12 -","2","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0499","0.0423","","","0.1119","0.1153","","","","","","1.063","","","","has coordinates","140058","2020-10-21","18:00:00",""
"4513027","7.2425","0.0008","15.4541","0.0017","17.01","0.0018","90","","90","","90","","1903.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing","Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles","ACS Catalysis","2015","5","6","3700","","10.1021/acscatal.5b00680","","","0.71073","MoKα","","0.0515","0.0378","","","0.0836","0.0885","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513028","9.4814","0.0008","10.765","0.0009","13.9827","0.0011","111.406","0.002","92.343","0.002","99.301","0.002","1303.49","0.19","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H B Br3 F18 N6 Tl -","- C15 H B Br3 F18 N6 Tl -","- C30 H2 B2 Br6 F36 N12 Tl2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0451","0.042","","","0.1142","0.1165","","","","","","1.032","","","","has coordinates","140055","2020-10-21","18:00:00",""
"4513029","21.9569","0.0012","16.6067","0.001","17.0174","0.0009","90","","105.863","0.002","90","","5968.8","0.6","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H4 B Br3 Cu F18 N7 -","- C17 H4 B Br3 Cu F18 N7 -","- C136 H32 B8 Br24 Cu8 F144 N56 -","8","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0975","0.0611","","","0.1705","0.1895","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513030","9.5396","0.0011","12.6988","0.0015","12.9452","0.0016","100.867","0.003","94.371","0.003","98.592","0.003","1514","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H9 Ag B Br3 F18 N6 O -","- C19 H9 Ag B Br3 F18 N6 O -","- C38 H18 Ag2 B2 Br6 F36 N12 O2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0912","0.0626","","","0.1352","0.2075","","","","","","1.081","","","","has coordinates","140055","2020-10-21","18:00:00",""
"4513043","8.7507","0.0006","10.3497","0.0005","14.1618","0.0009","79.212","0.004","73.228","0.005","77.234","0.005","1187.17","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N4 O5 Ru S -","- C24 H20 N4 O5 Ru S -","- C48 H40 N8 O10 Ru2 S2 -","2","1","","Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G.","Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex","ACS Catalysis","2015","5","7","3966","","10.1021/acscatal.5b00496","","","0.71073","MoKα","","0.0752","0.0559","","","0.1382","0.1471","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513044","9.25","0.003","10.543","0.003","21.668","0.006","84.919","0.007","89.766","0.007","81.66","0.007","2082.5","1.1","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H57 Cl F N2 O3 P Ru -","- C45 H57 Cl F N2 O3 P Ru -","- C90 H114 Cl2 F2 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.057","","","","0.1536","","","","","","0.9","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513045","9.123","0.004","10.569","0.005","21.751","0.009","94.901","0.012","90.209","0.013","99.166","0.01","2062.6","1.6","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H57 F2 N2 O3 P Ru -","- C45 H57 F2 N2 O3 P Ru -","- C90 H114 F4 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.0601","","","","0.1718","","","","","","0.852","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513186","11.185","0.0012","12.2337","0.0012","15.712","0.0016","87.763","0.002","85.343","0.002","75.988","0.002","2078.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Cl F6 N2 P2 Ru -","- C49 H47 Cl F6 N2 P2 Ru -","- C98 H94 Cl2 F12 N4 P4 Ru2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0814","0.0556","","","0.1081","0.1178","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513187","18.524","0.005","15.304","0.004","14.862","0.004","90","","98.269","0.006","90","","4169.4","1.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H47 Cl F6 N2 P2 Ru -","- C45 H47 Cl F6 N2 P2 Ru -","- C180 H188 Cl4 F24 N8 P8 Ru4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0419","0.0399","","","0.0915","0.0927","","","","","","1.008","","","","has coordinates","140051","2020-10-21","18:00:00",""
"4513215","7.8373","0.0003","11.1807","0.0003","28.7574","0.0008","90","","90","","90","","2519.91","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 B Fe P -","- C32 H28 B Fe P -","- C128 H112 B4 Fe4 P4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.036","0.0316","","0.0368","0.0364","0.0364","","","","","","1.0497","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513216","8.4925","0.0003","18.0565","0.0005","21.7726","0.0007","90","","92.034","0.003","90","","3336.61","0.18","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 N -","- C20 H24.5 N -","- C160 H196 N8 -","8","4","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0984","0.0642","","0.0701","0.0507","0.0468","","","","","","1.1591","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513217","7.6079","0.0004","9.9255","0.0007","10.7036","0.0007","113.746","0.007","100.964","0.005","95.416","0.005","713.05","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H21 N -","- C18 H21 N -","- C36 H42 N2 -","2","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0678","0.0514","","0.062","0.0602","0.06","","","","","","1.0831","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513218","10.843","0.0004","12.6988","0.0004","15.1797","0.0005","90","","90","","90","","2090.14","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Fe N O -","- C25 H29 Fe N O -","- C100 H116 Fe4 N4 O4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71073","MoKα","","0.036","0.0309","","0.033","0.0324","0.0323","","","","","","1.0256","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513219","14.5165","0.0002","14.5165","0.0002","37.1387","0.001","90","","90","","90","","7826.2","0.3","293","","293","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C43 H38 N O3.5 P Pd S -","- C43 H38 N O3.5 P Pd S -","- C344 H304 N8 O28 P8 Pd8 S8 -","8","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0649","0.0523","","0.0505","0.0457","0.0442","","","","","","1.0811","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513383","12.3687","0.0005","12.3687","0.0005","44.436","0.002","90","","90","","90","","6798","0.5","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-2A","","","- C72 H78 N4 O11 Ti2 -","- C72 H78 N4 O11 Ti2 -","- C288 H312 N16 O44 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0429","0.0389","","","0.1084","0.1112","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513384","19.0457","0.0003","19.0457","0.0003","41.0671","0.0011","90","","90","","120","","12900.9","0.4","200","2","200","2","","","","","","","","5","P 31 2 1","P 31 2""","152","(R,R,SN-R,R,SN)-Ti-4A","","","- C76 H78 N4 O11 Ti2 -","- C76 H78 N4 O11 Ti2 -","- C456 H468 N24 O66 Ti12 -","6","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1148","0.0641","","","0.1676","0.1808","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513385","11.5315","0.0009","19.176","0.0015","13.4627","0.0011","90","","98.481","0.003","90","","2944.4","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","(/l,R,R,SN-/l,R,R,SN)-1B","","","- C65 H61 Cl3 N4 O6 Ti2 -","- C65 H61 Cl3 N4 O6 Ti2 -","- C130 H122 Cl6 N8 O12 Ti4 -","2","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1222","0.0657","","","0.1565","0.2103","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513386","12.2324","0.0004","12.2324","0.0004","45.9762","0.0016","90","","90","","90","","6879.5","0.4","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-Ti-3A","","","- C68 H66 Br4 N4 O7 Ti2 -","- C68 H66 Br4 N4 O7 Ti2 -","- C272 H264 Br16 N16 O28 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.042","0.0339","","","0.091","0.0934","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513387","13.8302","0.0005","15.4438","0.0005","16.7517","0.0006","108.353","0.001","90.647","0.001","116.089","0.001","3002.56","0.19","200","2","200","2","","","","","","","","6","P 1","P 1","1","(/l,R,R,SN-/l,R,R,SN)-Ti-3B","","","- C64 H56 Br4 N4 O6 Ti2 -","- C64 H56 Br4 N4 O6 Ti2 -","- C128 H112 Br8 N8 O12 Ti4 -","2","2","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0399","0.0314","","","0.086","0.0886","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513439","12.3766","0.0018","16.424","0.002","28.578","0.004","90","","90","","90","","5809.1","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H47 N4 O7 -","- C54 H47 N4 O7 -","- C216 H188 N16 O28 -","4","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.1916","0.082","","","0.1624","0.1748","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513440","10.202","0.004","7.487","0.003","11.933","0.005","90","","100.922","0.007","90","","895","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.0716","0.0363","","","0.0556","0.0618","","","","","","0.966","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513441","40.887","0.002","9.2404","0.0005","27.6197","0.0013","90","","131.709","0.002","90","","7790.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C352 H256 F48 N16 O48 S16 -","16","2","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.0722","0.044","","","0.1153","0.1494","","","","","","1.091","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513442","6.1068","0.0003","15.2343","0.0008","18.4646","0.001","90","","90","","90","","1717.81","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 B F4 N -","- C21 H16 B F4 N -","- C84 H64 B4 F16 N4 -","4","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.043","0.0354","","","0.1028","0.1317","","","","","","1.136","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513443","13.0833","0.0012","9.1095","0.0008","33.015","0.003","90","","91.371","0.002","90","","3933.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F6 N Sb -","- C21 H16 F6 N Sb -","- C168 H128 F48 N8 Sb8 -","8","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.03","0.0257","","","0.0674","0.0788","","","","","","1.202","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513454","15.9607","0.0008","15.9607","0.0008","5.4313","0.0001","90","","90","","90","","1383.59","0.1","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","","Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping","Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines","ACS Catalysis","2015","5","9","5026","","10.1021/acscatal.5b01283","","","0.71073","MoKα","","0.0375","0.0355","","","0.0914","0.0937","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513487","9.1636","0.0004","36.3601","0.0014","21.4472","0.001","90","","97.684","0.003","90","","7081.8","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Au N3 O2 -","- C38 H46 Au N3 O2 -","- C304 H368 Au8 N24 O16 -","8","2","","Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao","Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand","ACS Catalysis","2015","5","9","5135","","10.1021/acscatal.5b01335","","","0.71075","MoKα","","","0.067","","","","0.14","","","","","","1","","","","has coordinates","160478","2020-10-21","18:00:00",""
"4513497","10.2256","0.0008","13.2327","0.0009","15.2136","0.001","75.791","0.002","82.911","0.002","77.348","0.002","1941.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H14 Cl6 Cu F10 N5 O2 -","- C39 H14 Cl6 Cu F10 N5 O2 -","- C78 H28 Cl12 Cu2 F20 N10 O4 -","2","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0861","0.076","","","0.2091","0.2189","","","","","","1.073","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513498","13.6323","0.0004","13.187","0.0004","21.0645","0.0006","90","","105.96","0.001","90","","3640.78","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0816","0.0683","","","0.2017","0.2133","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513610","8.1602","0.0016","11.357","0.002","20.59","0.004","90","","90","","90","","1908.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0622","0.0502","","","0.1366","0.1478","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513611","6.0364","0.0009","17.033","0.003","10.4225","0.0016","90","","102.271","0.003","90","","1047.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0538","0.0395","","","0.0933","0.1006","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513656","27.301","0.0018","8.7461","0.0005","10.8469","0.0007","90","","96.239","0.007","90","","2574.7","0.3","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.06","0.0438","","","0.086","0.0966","","","","","","1.05","","","","has coordinates","159576","2020-10-21","18:00:00",""
"4513657","12.1813","0.0006","12.9222","0.0005","16.9425","0.0007","90","","90","","90","","2666.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.0995","0.0553","","","0.1001","0.12","","","","","","1","","","","has coordinates","159577","2020-10-21","18:00:00",""
"4513663","16.043","0.002","6.7774","0.001","27.121","0.004","90","","94.443","0.003","90","","2940","0.7","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Ag N2 -","- C32 H42 Ag N2 -","- C128 H168 Ag4 N8 -","4","0.5","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.0847","0.0536","","","0.1523","0.1716","","","","","","1.026","","","","has coordinates,has disorder","170774","2020-10-21","18:00:00",""
"4513664","30.342","0.004","14.1754","0.0017","27.882","0.003","90","","98.13","0.002","90","","11872","2","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Ag F2 N3 O3 -","- C32 H40 Ag F2 N3 O3 -","- C512 H640 Ag16 F32 N48 O48 -","16","2","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.1307","0.0561","","","0.1319","0.165","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513677","10.0194","0.0008","14.8755","0.0012","33.308","0.002","90","","90","","90","","4964.3","0.6","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cr N O4 P -","- C25 H28 Cr N O4 P -","- C200 H224 Cr8 N8 O32 P8 -","8","2","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.079","0.0527","","","0.1137","0.1274","","","","","","1.021","","","","has coordinates,has disorder","173567","2020-10-21","18:00:00",""
"4513678","11.79138","0.00014","14.69577","0.00018","16.3394","0.0002","90","","94.4771","0.0011","90","","2822.71","0.06","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cr N O4 P -","- C29 H36 Cr N O4 P -","- C116 H144 Cr4 N4 O16 P4 -","4","1","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.0367","0.031","","","0.0815","0.0853","","","","","","1.032","","","","has coordinates","173567","2020-10-21","18:00:00",""
"4513679","11.77","0.005","16.605","0.005","35.069","0.005","90","0.005","90","0.005","90","0.005","6854","4","290","2","290","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H38 Cl3 N P2 Pd S -","- C32 H38 Cl3 N P2 Pd S -","- C256 H304 Cl24 N8 P16 Pd8 S8 -","8","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0847","0.0505","","","0.1446","0.176","","","","","","1.096","","","","has coordinates","169971","2020-10-21","18:00:00",""
"4513680","12.1032","0.0005","15.8942","0.0005","16.1513","0.0007","90","","106.192","0.004","90","","2983.8","0.2","290","2","290","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H36 Cl N O P2 Pd -","- C31 H36 Cl N O P2 Pd -","- C124 H144 Cl4 N4 O4 P8 Pd4 -","4","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0469","0.0345","","","0.1019","0.1342","","","","","","1.053","","","","has coordinates","169972","2020-10-21","18:00:00",""
"4516658","10.073","0.003","10.958","0.003","25.373","0.006","100.784","0.005","100.991","0.005","90.485","0.005","2697.9","1.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O -","- C17 H16 O -","- C136 H128 O8 -","8","4","","Qin, Guiping; Chen, Xiangning; Yang, Lei; Huang, Hanmin","Copper-Catalyzed α-Benzylation of Enones via Radical-Triggered Oxidative Coupling of Two C‒H Bonds","ACS Catalysis","2015","5","5","2882","","10.1021/acscatal.5b00310","","","0.71073","MoKα","","0.1306","0.0517","","","0.1051","0.1397","","","","","","0.998","","","","has coordinates","239435","2020-10-21","18:00:00",""
"4516659","10.6111","0.0008","9.3941","0.0007","19.1315","0.0015","90","","91.384","0.001","90","","1906.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 F3 N4 O7 -","- C15 H19 F3 N4 O7 -","- C60 H76 F12 N16 O28 -","4","1","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0532","0.0424","","","0.1089","0.1169","","","","","","1.003","","","","has coordinates","239436","2020-10-21","18:00:00",""
"4516660","15.896","0.003","8.7193","0.0014","25.283","0.004","90","","90","","90","","3504.3","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H15 Cl F3 N O5 -","- C17 H15 Cl F3 N O5 -","- C136 H120 Cl8 F24 N8 O40 -","8","2","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0499","0.0418","","","0.1156","0.1221","","","","","","1.04","","","","has coordinates","239437","2020-10-21","18:00:00",""
"4516661","15.5297","0.0005","15.5297","0.0005","24.1564","0.0011","90","","90","","120","","5045.3","0.3","150","","150","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C55 H40 Cl3 O3 P3 Si3 -","- C55 H40 Cl3 O3 P3 Si3 -","- C220 H160 Cl12 O12 P12 Si12 -","4","0.333333","","Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya","Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes","ACS Catalysis","2015","5","12","7254","","10.1021/acscatal.5b00904","","","0.71075","MoKα","","","0.0461","","","","0.1077","","","","","","1.139","","","","has coordinates","239438","2020-10-21","18:00:00",""
"4516662","33.581","0.002","10.1257","0.0002","19.1334","0.0004","90","","101.527","0.007","90","","6374.7","0.5","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl N5 P Ru -","- C38 H31 Cl N5 P Ru -","- C304 H248 Cl8 N40 P8 Ru8 -","8","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0283","0.028","","","0.0728","0.0731","","","","","","1.04","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516663","31.847","0.002","12.7757","0.0002","25.6211","0.0005","90","","117.055","0.008","90","","9283.7","0.9","85","2","85","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C356 H304 Cl8 F48 N40 O48 P8 Ru8 S16 -","8","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0518","0.0487","","","0.1415","0.1436","","","","","","1.101","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516664","9.4999","0.0002","10.3978","0.0002","18.4333","0.0013","79.884","0.006","84.512","0.006","68.604","0.005","1667.97","0.14","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H33 F3 N5 O P Ru -","- C40 H33 F3 N5 O P Ru -","- C80 H66 F6 N10 O2 P2 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0248","0.0242","","","0.0642","0.0647","","","","","","1.066","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516665","11.5459","0.0002","20.4778","0.0004","18.8418","0.0013","90","","104.485","0.007","90","","4313.2","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Cl N5 P2 Ru -","- C54 H42 Cl N5 P2 Ru -","- C216 H168 Cl4 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0225","0.0223","","","0.0551","0.0552","","","","","","1.039","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516666","11.8598","0.0002","13.6537","0.0003","16.6403","0.0012","89.614","0.006","87.952","0.006","69.915","0.005","2529","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl N5 P2 Ru -","- C56 H46 Cl N5 P2 Ru -","- C112 H92 Cl2 N10 P4 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0295","0.0289","","","0.0696","0.07","","","","","","1.027","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516667","23.8181","0.0017","11.25","0.0002","20.994","0.002","90","","115.986","0.009","90","","5056.7","0.7","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl N5 O3.5 P2 Ru -","- C60 H54 Cl N5 O3.5 P2 Ru -","- C240 H216 Cl4 N20 O14 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0763","0.0706","","","0.1914","0.1993","","","","","","1.11","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516668","21.7779","0.0004","23.4319","0.0016","9.6235","0.0002","90","","90","","90","","4910.8","0.4","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H49 Cl4 N5 P2 Ru -","- C57 H49 Cl4 N5 P2 Ru -","- C228 H196 Cl16 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0855","0.0793","","","0.2204","0.2324","","","","","","1.129","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516669","13.7897","0.0003","15.8415","0.0003","19.6154","0.0014","71.991","0.005","73.73","0.005","81.086","0.006","3900.9","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H81 N10 P2 Ru2 -","- C97 H81 N10 P2 Ru2 -","- C194 H162 N20 P4 Ru4 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.1001","0.0869","","","0.2298","0.2419","","","","","","1.103","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516670","9.0716","0.0009","12.721","0.0007","15.6504","0.0017","93.195","0.006","103.235","0.009","93.102","0.002","1751.2","0.3","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl F6 N5 P2 Ru -","- C38 H32 Cl F6 N5 P2 Ru -","- C76 H64 Cl2 F12 N10 P4 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0231","0.023","","","0.0592","0.0593","","","","","","1.056","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516671","12.5021","0.0003","13.6073","0.0003","19.1227","0.0004","90","","108.373","0.002","90","","3087.32","0.12","123","1","123","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 B Cu F4 N4 O3 P -","- C34 H25 B Cu F4 N4 O3 P -","- C136 H100 B4 Cu4 F16 N16 O12 P4 -","4","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","0.71073","MoKα","","0.0437","0.036","","","0.0852","0.0894","","","","","","1.06","","","","has coordinates,has disorder","239440","2020-10-21","18:00:00",""
"4516672","10.5194","0.0005","11.305","0.0006","12.8486","0.0006","64.026","0.005","86.154","0.004","63.035","0.005","1207.7","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","1","0.5","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54184","CuKα","","0.0293","0.0258","","","0.0644","0.066","","","","","","1.056","","","","has coordinates","239441","2020-10-21","18:00:00",""
"4516673","30.0446","0.0006","11.56203","0.00018","24.6258","0.0004","90","","90","","90","","8554.4","0.3","122.99","0.16","122.99","0.16","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C376 H280 B8 Cl16 Cu8 F32 N32 O24 P8 -","8","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54178","CuKα","","0.0597","0.0461","","","0.1099","0.118","","","","","","1.034","","","","has coordinates,has disorder","239442","2020-10-21","18:00:00",""
"4516674","11.3913","0.0005","26.6073","0.0012","13.8664","0.0007","90","","103.752","0.005","90","","4082.3","0.3","102","1","102","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Fe Li N2 O Si2 -","- C44 H56 Fe Li N2 O Si2 -","- C176 H224 Fe4 Li4 N8 O4 Si8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0976","0.0703","","","0.1221","0.1311","","","","","","1.144","","","","has coordinates,has disorder","239443","2020-10-21","18:00:00",""
"4516675","14.14","0.0009","13.3999","0.0009","16.5218","0.001","90","","112.094","0.002","90","","2900.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Fe N2 O3 P -","- C35 H33 Fe N2 O3 P -","- C140 H132 Fe4 N8 O12 P4 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0564","0.0387","","","0.122","0.1352","","","","","","1.026","","","","has coordinates","239444","2020-10-21","18:00:00",""
"4516676","16.7305","0.0015","14.4122","0.0007","17.4229","0.0008","90","","93.471","0.006","90","","4193.4","0.5","106.2","0.2","106.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 Fe N2 P -","- C56 H53 Fe N2 P -","- C224 H212 Fe4 N8 P4 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.1173","0.0785","","","0.1558","0.1723","","","","","","1.102","","","","has coordinates","239445","2020-10-21","18:00:00",""
"4516677","16.9958","0.0007","10.2025","0.0005","17.6294","0.0007","90","","90","","90","","3056.9","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H33 Fe N5 -","- C38 H33 Fe N5 -","- C152 H132 Fe4 N20 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0442","0.0348","","","0.0782","0.0818","","","","","","1.021","","","","has coordinates","239446","2020-10-21","18:00:00",""
"4516678","17.2377","0.0005","17.2377","0.0005","27.3182","0.0008","90","","90","","90","","8117.3","0.4","100","","100","","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C368 H416 F24 Fe8 N16 Na4 O28.7 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","1","0.0625","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0687","0.0464","","","0.1234","0.1429","","","","","","1.09","","","","has coordinates,has disorder","239447","2020-10-21","18:00:00",""
"4516679","19.5314","0.0005","9.7274","0.0002","13.93","0.0004","90","","99.058","0.002","90","","2613.55","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 Fe N2 -","- C32 H24 Cl2 Fe N2 -","- C128 H96 Cl8 Fe4 N8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.067","0.0367","","","0.0868","0.0982","","","","","","1.057","","","","has coordinates","239448","2020-10-21","18:00:00",""
"4516680","10.8375","0.0013","14.8073","0.0018","27.377","0.003","90","","90","","90","","4393.3","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Fe N2 O4 Ti -","- C46 H64 Fe N2 O4 Ti -","- C184 H256 Fe4 N8 O16 Ti4 -","4","1","","Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K.","Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide","ACS Catalysis","2015","5","10","6057","","10.1021/acscatal.5b01434","","","0.71073","MoKα","","0.0524","0.045","","","0.1217","0.1311","","","","","","0.941","","","","has coordinates","239449","2020-10-21","18:00:00",""
"4516681","6.1162","0.0019","15.02","0.005","17.666","0.006","90","","96.537","0.005","90","","1612.3","0.9","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1,1,2-tetrafluorohepta-2,5-diene","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji","Nickel-Catalyzed Allylic C(sp3)‒F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes","ACS Catalysis","2015","5","10","5947","","10.1021/acscatal.5b01463","","","0.71073","MoKα","","0.1027","0.0537","","","0.1001","0.1179","","","","","","1.01","","","","has coordinates","239450","2020-10-21","18:00:00",""
"4516682","10.9711","0.0009","7.3155","0.0006","19.9974","0.0017","90","","93.418","0.002","90","","1602.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H30 Cl2 N2 O4 S -","- C35 H30 Cl2 N2 O4 S -","- C70 H60 Cl4 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0424","0.0396","","","0.1058","0.1085","","","","","","1.033","","","","has coordinates","239451","2020-10-21","18:00:00",""
"4516683","7.7705","0.001","22.437","0.003","11.0377","0.0015","90","","105.525","0.002","90","","1854.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.066","0.0605","","","0.1514","0.1578","","","","","","1.046","","","","has coordinates","239452","2020-10-21","18:00:00",""
"4516684","11.9029","0.001","15.3015","0.0013","19.0001","0.0016","85.692","0.002","79.538","0.002","67.684","0.002","3148.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl2 N2 O4 S -","- C35 H28 Cl2 N2 O4 S -","- C140 H112 Cl8 N8 O16 S4 -","4","2","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.1284","0.0589","","","0.1317","0.1645","","","","","","0.987","","","","has coordinates,has disorder","239453","2020-10-21","18:00:00",""
"4516685","9.3454","0.001","9.7516","0.001","14.35","0.0015","92.675","0.002","101.306","0.002","115.481","0.002","1144.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C48 H52 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0749","0.0546","","","0.1424","0.1563","","","","","","1.009","","","","has coordinates","239454","2020-10-21","18:00:00",""
"4516686","10.3652","0.0008","10.371","0.0008","28.86","0.002","90","","90","","90","","3102.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl2 N2 O4 S -","- C34 H28 Cl2 N2 O4 S -","- C136 H112 Cl8 N8 O16 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.079","0.0539","","","0.1246","0.1391","","","","","","1.015","","","","has coordinates","239455","2020-10-21","18:00:00",""
"4516687","8.8035","0.0002","14.912","0.0003","17.9438","0.0005","90","","90","","90","","2355.62","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","","Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia","Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters","ACS Catalysis","2015","5","11","6524","","10.1021/acscatal.5b01793","","","1.54178","CuKα","","0.0372","0.0326","","","0.0799","0.087","","","","","","1.071","","","","has coordinates","239456","2020-10-21","18:00:00",""
"4516688","15.6832","0.0007","11.3541","0.0005","16.787","0.0007","90","","92.189","0.001","90","","2987.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 N4 Pd2 S4 -","- C66 H68 N4 Pd2 S4 -","- C132 H136 N8 Pd4 S8 -","2","0.5","","Degtyareva, Evgeniya S.; Burykina, Julia V.; Fakhrutdinov, Artem N.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd-NHC Catalytic System for the Efficient Atom-Economic Synthesis of Vinyl Sulfides from Tertiary, Secondary, or Primary Thiols","ACS Catalysis","2015","5","12","7208","","10.1021/acscatal.5b01815","","","0.71073","MoKα","","0.0479","0.0349","","","0.0759","0.0818","","","","","","1.021","","","","has coordinates","239457","2020-10-21","18:00:00",""
"4516689","8.233","0.004","13.912","0.006","15.188","0.007","90","","90","","90","","1739.6","1.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H15 P S -","- C22 H15 P S -","- C88 H60 P4 S4 -","4","1","","Unoh, Yuto; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Rhodium(III)-Catalyzed Direct Coupling of Arylphosphine Derivatives with Heterobicyclic Alkenes: A Concise Route to Biarylphosphines and Dibenzophosphole Derivatives","ACS Catalysis","2015","5","11","6634","","10.1021/acscatal.5b01896","","","0.71075","MoKα","","","0.0372","","","","0.0953","","","","","","1.098","","","","has coordinates","239458","2020-10-21","18:00:00",""
"4516690","9.6451","0.0002","25.6279","0.0005","10.7472","0.0002","90","","102.565","0.001","90","","2592.91","0.09","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 F3 I O3 S -","- C24 H32 F3 I O3 S -","- C96 H128 F12 I4 O12 S4 -","4","1","","Berzina, Beatrise; Sokolovs, Igors; Suna, Edgars","Copper-Catalyzed para-Selective C‒H Amination of Electron-Rich Arenes","ACS Catalysis","2015","5","11","7008","","10.1021/acscatal.5b01992","","","0.71073","MoKα","","0.0798","0.0594","","","0.1303","0.1377","","","","","","1.126","","","","has coordinates","239459","2020-10-21","18:00:00",""
"4516691","11.4773","0.0005","13.0681","0.0005","18.2775","0.0008","70.951","0.001","80.767","0.001","78.887","0.001","2528.57","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H32 B F24 N3 Ni O2 -","- C50 H32 B F24 N3 Ni O2 -","- C100 H64 B2 F48 N6 Ni2 O4 -","2","1","","Escobar, Manuel A.; Trofymchuk, Oleksandra S.; Rodriguez, Barbara E.; Lopez-Lira, Claudia; Tapia, Ricardo; Daniliuc, Constantin; Berke, Heinz; Nachtigall, Fabiane M.; Santos, Leonardo S.; Rojas, Rene S.","Lewis Acid Enhanced Ethene Dimerization and Alkene Isomerization—ESI-MS Identification of the Catalytically Active Pyridyldimethoxybenzimidazole Nickel(II) Hydride Species","ACS Catalysis","2015","5","12","7338","","10.1021/acscatal.5b02003","","","0.71073","MoKα","","0.0561","0.0412","","","0.0933","0.101","","","","","","1.029","","","","has coordinates,has disorder","239460","2020-10-21","18:00:00",""
"4516692","11.1326","0.0005","28.0168","0.0014","13.6059","0.0006","90","","96.8149","0.0016","90","","4213.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","1","0.25","","Kim, Hyunwoo; Chang, Sukbok","Iridium-Catalyzed Direct C‒H Amination with Alkylamines: Facile Oxidative Insertion of Amino Group into Iridacycle","ACS Catalysis","2015","5","11","6665","","10.1021/acscatal.5b02165","","","0.71073","MoKα","","0.0728","0.0413","","","0.0939","0.1036","","","","","","1.022","","","","has coordinates,has disorder","239461","2020-10-21","18:00:00",""
"4516693","9.4911","0.0004","9.8015","0.0003","12.0673","0.0005","90","","103.604","0.004","90","","1091.09","0.07","300.79","0.1","300.79","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui","Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst","ACS Catalysis","2015","5","12","7432","","10.1021/acscatal.5b02177","","x-ray","1.54184","CuKα","","0.054","0.0481","","","0.1351","0.1407","","","","","","1.12","","","","has coordinates","239462","2020-10-21","18:00:00",""