# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T07:34:04+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 = 7 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4513994","15.431","0.005","16.964","0.005","23.348","0.007","90","","90","","90","","6112","3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 Cu2 N10 -","- C46 H52 Cu2 N10 -","- C184 H208 Cu8 N40 -","4","1","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.2579","0.1642","","","0.3988","0.4354","","","","","","1.354","","","","has coordinates","191331","2020-10-21","18:00:00",""
"4513999","8.1455","0.0008","16.5588","0.0016","20.962","0.002","90","","94.132","0.002","90","","2820","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Iridiumcpstarnpligand","","","- C25 H39 Cl F3 Ir N O3 P S -","- C25 H39 Cl F3 Ir N O3 P S -","- C100 H156 Cl4 F12 Ir4 N4 O12 P4 S4 -","4","1","","Celaje, Jeff Joseph A.; Zhang, Xingyue; Zhang, Forrest; Kam, Lisa; Herron, Jessica R.; Williams, Travis J.","A Base and Solvent-Free Ruthenium-Catalyzed Alkylation of Amines","ACS Catalysis","2017","7","2","1136","","10.1021/acscatal.6b03088","","","0.71073","MoKα","","0.0475","0.0338","","","0.0697","0.0742","","","","","","1.039","","","","has coordinates","191330","2020-10-21","18:00:00",""
"4514008","9.0973","0.0002","8.2011","0.0002","22.9008","0.0006","90","","99.357","0.001","90","","1685.85","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 N O3 S -","- C17 H24 N O3 S -","- C68 H96 N4 O12 S4 -","4","2","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0359","0.0343","","","0.0915","0.0932","","","","","","1.034","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4514010","12.546","0.003","14.078","0.003","17.037","0.005","67.591","0.01","72.379","0.009","69.555","0.009","2556.2","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H46 Al F15 N3 O Re -","- C54 H46 Al F15 N3 O Re -","- C108 H92 Al2 F30 N6 O2 Re2 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","","0.71073","MoKα","","0.0528","0.0481","","","0.1268","0.1301","","","","","","1.1","","","","has coordinates,has disorder","191225","2020-10-21","18:00:00",""
"4514011","15.6648","0.0007","13.4862","0.0005","17.082","0.0008","90","","105.914","0.002","90","","3470.4","0.3","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H47 Cl N3 O Re -","- C37.5 H47 Cl N3 O Re -","- C150 H188 Cl4 N12 O4 Re4 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0203","","","0.0427","0.0458","","","","","","1.035","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514012","16.946","0.003","13.855","0.003","12.2464","0.0014","90","","100.543","0.011","90","","2826.8","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 N3 O8 S2 -","- C28 H27 N3 O8 S2 -","- C112 H108 N12 O32 S8 -","4","1","","Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles","ACS Catalysis","2017","7","2","1053","","10.1021/acscatal.6b03248","","x-ray","1.54178","CuKα","","0.0334","0.0321","","","0.0795","0.0806","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514013","6.72474","0.00006","16.401","0.0002","17.4977","0.0002","90","","90","","90","","1929.86","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C100 H96 O12 -","4","1","","James, Jinju; Guiry, Patrick J.","Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation","ACS Catalysis","2017","7","2","1397","","10.1021/acscatal.6b03355","","","1.54184","CuKα","","0.0292","0.0276","","","0.068","0.0692","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514014","8.2785","0.0005","8.9703","0.0005","14.5673","0.0008","76.336","0.002","87.282","0.002","65.557","0.002","955.4","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Au Cl5 N O2 -","- C16 H13 Au Cl5 N O2 -","- C32 H26 Au2 Cl10 N2 O4 -","2","1","","Tomás-Mendivil, Eder; Heinrich, Clément F.; Ortuno, Jean-Claude; Starck, Jérôme; Michelet, Véronique","Gold-Catalyzed Access to 1H-Isochromenes: Reaction Development and Mechanistic Insight","ACS Catalysis","2017","7","1","380","","10.1021/acscatal.6b02636","","","1.5418","CuKα","","0.0305","0.0299","","","0.0767","0.0773","","","","","","1.078","","","","has coordinates","191229","2020-10-21","18:00:00",""
"4514015","47.1143","0.0006","4.86847","0.00008","16.0241","0.0002","90","","97.7446","0.0011","90","","3641.99","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 F3 I N O3 -","- C17 H19 F3 I N O3 -","- C136 H152 F24 I8 N8 O24 -","8","1","","Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben","Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides","ACS Catalysis","2017","7","1","409","","10.1021/acscatal.6b03205","","","0.7107","MoKα","","0.0363","0.0328","","","0.0949","0.0972","","","","","","1.033","","","","has coordinates,has disorder","191230","2020-10-21","18:00:00",""
"4514016","11.3017","0.0015","13.5088","0.0015","14.966","0.002","90","","108.686","0.004","90","","2164.5","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Cu2 N10 -","- C46 H56 Cu2 N10 -","- C92 H112 Cu4 N20 -","2","0.5","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.0422","0.0315","","","0.0766","0.0816","","","","","","1.036","","","","has coordinates","191231","2020-10-21","18:00:00",""
"4514017","20.4817","0.0014","20.4817","0.0014","21.6349","0.0017","90","","90","","90","","9075.8","1.1","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C35 H54 Cl2 Cu2 N10 -","- C35 H54 Cl2 Cu2 N10 -","- C280 H432 Cl16 Cu16 N80 -","8","","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.072","0.0606","","","0.1706","0.1843","","","","","","1.071","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514023","15.3747","0.0012","16.9302","0.0014","27.578","0.002","90","","93.07","0.001","90","","7168.2","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Cl F6 P5 Pd3 Sb -","- C78 H65 Cl F6 P5 Pd3 Sb -","- C312 H260 Cl4 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.1005","0.0474","","","0.0914","0.1144","","","","","","0.97","","","","has coordinates","193398","2020-10-21","18:00:00",""
"4514024","24.283","0.005","21.152","0.004","17.759","0.004","90","","114.38","0.03","90","","8308","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H118 Ge2 N2 O Si2 -","- C94 H118 Ge2 N2 O Si2 -","- C376 H472 Ge8 N8 O4 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido–Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.7108","Synchrotron","","0.086","0.0695","","","0.196","0.2107","","","","","","1.054","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514025","10.1191","0.0004","12.9066","0.0005","18.7646","0.0007","88.763","0.003","86.92","0.003","85.612","0.003","2439.63","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H69 B N O3.5 Si Sn -","- C52 H69 B N O3.5 Si Sn -","- C104 H138 B2 N2 O7 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido–Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0526","0.0414","","","0.1009","0.1086","","","","","","1.058","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514026","9.99","0.002","11.36","0.002","18.89","0.004","86.59","0.03","85.63","0.03","67.69","0.03","1976.4","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H53 N O2 Si Sn -","- C45 H53 N O2 Si Sn -","- C90 H106 N2 O4 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.033","0.0311","","","0.0783","0.0791","","","","","","1.067","","","","has coordinates","193399","2020-10-21","18:00:00",""
"4514027","16.5344","0.0008","9.4279","0.0005","20.9981","0.0012","90","","90","","90","","3273.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","","Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu","Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)–H Bonds with Azodiformates via Bidentate-Chelation Assistance","ACS Catalysis","2017","7","3","2042","","10.1021/acscatal.6b03621","","","1.54178","CuKα","","0.0563","0.0465","","","0.1339","0.1437","","","","","","0.982","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514028","23.6464","0.0007","24.1857","0.0006","24.249","0.0008","90","","116.899","0.002","90","","12367.7","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C450 H404 F96 N80 O38 P16 Ru16 -","8","1","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0928","0.0586","","","0.1374","0.1511","","","","","","0.989","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514029","18.7376","0.0007","22.1944","0.0008","15.7519","0.0006","90","","90.788","0.003","90","","6550.1","0.4","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H60 F12 N10 O7 P2 Ru2 -","- C61 H60 F12 N10 O7 P2 Ru2 -","- C244 H240 F48 N40 O28 P8 Ru8 -","4","0.5","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0558","0.0419","","","0.1087","0.1143","","","","","","1.028","","","","has coordinates,has disorder","193401","2020-10-21","18:00:00",""
"4514030","11.2326","0.001","11.336","0.001","16.1197","0.0014","78.107","0.001","72.51","0.001","67.279","0.001","1796.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(dppf)Ni(SCF2)","","","- C42 H36 F2 Fe Ni P2 S -","- C42 H36 F2 Fe Ni P2 S -","- C84 H72 F4 Fe2 Ni2 P4 S2 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0422","0.0345","","","0.0812","0.0849","","","","","","1.028","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514031","8.9532","0.0002","10.0303","0.0003","20.4331","0.0011","91.917","0.003","99.127","0.004","94.971","0.002","1802.83","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Fe I2 Ni P2 -","- C40 H34 Fe I2 Ni P2 -","- C80 H68 Fe2 I4 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71073","MoKα","","0.0454","0.0415","","","0.0863","0.0878","","","","","","1.071","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514037","11.2473","0.0003","18.5148","0.0006","26.3786","0.0008","90","","97.2988","0.0013","90","","5448.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H45 Ag4 Cl5 O10 -","- C54.5 H45 Ag4 Cl5 O10 -","- C218 H180 Ag16 Cl20 O40 -","4","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.1489","0.1043","","","0.2712","0.2948","","","","","","1.015","","","","has coordinates,has disorder","193402","2020-10-21","18:00:00",""
"4514038","26.064","0.003","19.397","0.002","11.0996","0.0012","90","","97.166","0.002","90","","5567.7","1.1","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Ag2 O6 -","- C15 H12 Ag2 O6 -","- C120 H96 Ag16 O48 -","8","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.0769","0.0661","","","0.1864","0.1952","","","","","","1.116","","","","has coordinates","193402","2020-10-21","18:00:00",""
"4514040","7.20833","0.00016","12.3392","0.0003","14.6278","0.0005","90","","93.647","0.002","90","","1298.44","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl6 N O5 V -","- C24 H18 Cl6 N O5 V -","- C48 H36 Cl12 N2 O10 V2 -","2","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.7107","MoKα","","0.0328","0.0269","","","0.0609","0.063","","","","","","0.947","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514041","7.1728","0.0012","13.0626","0.0015","28.541","0.004","90","","96.136","0.005","90","","2658.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl7 N O5 V -","- C24 H17 Cl7 N O5 V -","- C96 H68 Cl28 N4 O20 V4 -","4","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.71073","MoKα","","0.1184","0.0784","","","0.1772","0.1935","","","","","","1.089","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514051","12.37","0.0004","45.6483","0.0014","12.6634","0.0004","90","","97.6938","0.0009","90","","7086.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 F5 N2 P -","- C88 F10 N4 P2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis","ACS Catalysis","2017","7","3","2133","","10.1021/acscatal.7b00133","","","0.71073","MoKα","","0.0551","0.0403","","","0.0835","0.0873","","","","","","0.959","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514052","15.3662","0.0017","16.9466","0.0019","27.676","0.003","90","","92.693","0.002","90","","7199","1.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C312 H260 Br2.76 Cl1.24 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.0839","0.0455","","","0.1137","0.1319","","","","","","0.996","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514053","9.93","0.002","14.88","0.003","15.29","0.003","91","0.03","91.6","0.03","98.1","0.03","2235.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H64 B Ge N O3 Si -","- C50 H64 B Ge N O3 Si -","- C100 H128 B2 Ge2 N2 O6 Si2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido–Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0712","0.0671","","","0.1708","0.1733","","","","","","1.082","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514054","31.052","0.002","19.593","0.002","17.8613","0.0016","90","","105.933","0.006","90","","10449.4","1.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C101 H134 Ge2 N2 O2 Si2 -","- C95 H120 Ge2 N2 O2 Si2 -","- C380 H480 Ge8 N8 O8 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.2303","0.0842","","","0.161","0.1989","","","","","","0.786","","","","has coordinates","192847","2020-10-21","18:00:00",""
"4514055","10.9061","0.0007","12.6404","0.0008","28.3159","0.0018","90","","90","","90","","3903.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N2 O5 S2 -","- C38 H36 N2 O5 S2 -","- C152 H144 N8 O20 S8 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0705","0.0499","","","0.1394","0.1485","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514056","8.1166","0.0005","13.77","0.0008","15.4267","0.0009","90","","90","","90","","1724.17","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0498","0.0358","","","0.0875","0.0956","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514057","30.3732","0.0014","11.6836","0.0006","7.6516","0.0004","90","","90","","90","","2715.3","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H44 Mn N O3 P2 -","- C25 H44 Mn N O3 P2 -","- C100 H176 Mn4 N4 O12 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0386","0.0299","","","0.0575","0.0602","","","","","","1.038","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514058","17.2037","0.0018","14.6522","0.0017","19.066","0.002","90","","90","","90","","4806","0.9","299.72","","299.72","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H41 B Mn N O2 P2 -","- C18 H41 B Mn N O2 P2 -","- C144 H328 B8 Mn8 N8 O16 P16 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0563","0.0357","","","0.0875","0.0988","","","","","","1.015","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514059","10.6335","0.0008","14.5777","0.0011","13.8441","0.001","90","","97.449","0.004","90","","2127.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Mn N O2 P2 -","- C18 H38 Mn N O2 P2 -","- C72 H152 Mn4 N4 O8 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0596","0.0352","","","0.0718","0.079","","","","","","1.019","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514060","9.6075","0.0011","10.9191","0.0013","17.624","0.002","96.565","0.002","105.405","0.002","103.759","0.002","1699.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(dppf)Ni(I)Br","","","- C40 H34 Br Fe Ni P2 -","- C40 H34 Br Fe Ni P2 -","- C80 H68 Br2 Fe2 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0541","0.0383","","","0.0812","0.0872","","","","","","1.009","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514061","23.6771","0.0005","13.9547","0.0003","19.1841","0.0004","90","","90.394","0.002","90","","6338.4","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Fe2 I2 Ni2 O P4 -","- C72 H64 Fe2 I2 Ni2 O P4 -","- C288 H256 Fe8 I8 Ni8 O4 P16 -","4","0.5","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71075","MoKα","","0.0609","0.0395","","","0.0735","0.0798","","","","","","1.017","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514062","7.3719","0.0003","8.0356","0.0003","12.4786","0.0005","82.255","0.002","78.93","0.002","86.099","0.002","718.16","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Wu, Xiaowei; Wang, Bao; Zhou, Shengbin; Zhou, Yu; Liu, Hong","Ruthenium-Catalyzed Redox-Neutral [4 + 1] Annulation of Benzamides and Propargyl Alcohols via C–H Bond Activation","ACS Catalysis","2017","7","4","2494","","10.1021/acscatal.7b00031","","","0.71073","MoKα","","0.0462","0.0416","","","0.1209","0.1264","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514063","14.191","0.0005","14.4097","0.0005","18.8529","0.0006","90","","90.638","0.002","90","","3855","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hhy3-51","","","- C30 H64 Br2 P2 Pd2 -","- C30 H64 Br2 P2 Pd2 -","- C120 H256 Br8 P8 Pd8 -","4","1","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0453","0.0316","","","0.0727","0.0796","","","","","","1.032","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514064","9.5914","0.0003","12.2401","0.0003","13.6152","0.0004","114.515","0.001","94.093","0.001","92.143","0.001","1446.66","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 Br2 Cl4 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","1","0.5","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0363","0.025","","","0.0581","0.0623","","","","","","1.016","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514071","9.5611","0.0008","9.7674","0.0007","44.019","0.003","90","","90","","90","","4110.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O2 -","- C25 H19 Br N2 O2 -","- C200 H152 Br8 N16 O16 -","8","2","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0775","0.0567","","","0.1386","0.151","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514072","6.2831","0.0005","10.506","0.0007","28.682","0.002","90","","90","","90","","1893.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0658","0.049","","","0.1051","0.1107","","","","","","1.105","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514080","12.47076","0.00008","21.63215","0.00013","13.10657","0.00008","90","","99.47","0.0006","90","","3487.57","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N2 O2 Pd -","- C38 H52 N2 O2 Pd -","- C152 H208 N8 O8 Pd4 -","4","1","","Kim, Jaewoon; Hong, Soon Hyeok","Ligand-Promoted Direct C‒H Arylation of Simple Arenes: Evidence for a Cooperative Bimetallic Mechanism","ACS Catalysis","2017","7","5","3336","","10.1021/acscatal.7b00397","","x-ray","1.54184","CuKα","","0.0259","0.0247","","","0.0608","0.0616","","","","","","1.03","","","","has coordinates","197385","2020-10-21","18:00:00",""
"4514083","6.3295","0.001","12.336","0.002","14.619","0.002","90.792","0.01","95.813","0.009","96.114","0.01","1128.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C56 H58 N2 O6 -","2","1","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C–N and C–O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.1209","0.0746","","","0.188","0.219","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514084","9.7185","0.0003","15.9184","0.0004","15.9702","0.0004","88.541","0.001","87.598","0.001","85.097","0.001","2458.84","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O4 -","- C33 H25 N O4 -","- C132 H100 N4 O16 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C–N and C–O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0525","0.0484","","","0.1216","0.1245","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514085","10.0098","0.0005","19.235","0.001","13.3175","0.0007","90","","91.572","0.002","90","","2563.2","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 F2 N O5 -","- C34 H23 F2 N O5 -","- C136 H92 F8 N4 O20 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C–N and C–O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0465","0.0462","","","0.1216","0.1219","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514090","4.88608","0.00008","39.9585","0.0006","9.27521","0.00015","90","","91.1105","0.0015","90","","1810.56","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.1348","0.091","","","0.2494","0.2737","","","","","","1.048","","","","has coordinates,has disorder","197386","2020-10-21","18:00:00",""
"4514091","9.8574","0.0004","10.5363","0.0004","19.098","0.0006","83.974","0.003","85.964","0.003","69.875","0.004","1850.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","2","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.0795","0.0491","","","0.1309","0.1458","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514096","5.9658","0.0002","6.8587","0.0003","26.877","0.001","90","","90","","90","","1099.74","0.07","293.52","0.1","293.52","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming","Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes","ACS Catalysis","2017","7","6","3763","","10.1021/acscatal.7b00590","","x-ray","1.54184","CuKα","","0.0529","0.0509","","","0.1384","0.1424","","","","","","1.072","","","","has coordinates","197390","2020-10-21","18:00:00",""
"4514100","13.578","0.008","13.579","0.01","13.733","0.011","91.45","0.02","100.63","0.02","115.95","0.019","2222","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","1","0.5","","Fan, Ting; Duan, Lele; Huang, Ping; Chen, Hong; Daniel, Quentin; Ahlquist, Mårten S. G.; Sun, Licheng","The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway","ACS Catalysis","2017","7","4","2956","","10.1021/acscatal.6b03393","","","0.71073","MoKα","","0.1651","0.1007","","","0.2554","0.2951","","","","","","1.125","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514101","8.2698","0.0007","10.9458","0.0009","14.8705","0.0015","98.19","0.006","90.641","0.003","110.333","0.003","1246.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H39 Cl2 Co N P2 -","- C21 H39 Cl2 Co N P2 -","- C42 H78 Cl4 Co2 N2 P4 -","2","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0442","0.0317","","","0.0651","0.07","","","","","","1.034","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514102","14.2619","0.0007","8.3444","0.0004","19.9331","0.0011","90","","96.477","0.003","90","","2357","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cl Co N P2 -","- C21 H39 Cl Co N P2 -","- C84 H156 Cl4 Co4 N4 P8 -","4","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0415","0.029","","","0.0624","0.0676","","","","","","1.023","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514103","18.5484","0.0009","15.0463","0.0007","16.1704","0.0008","90","","90","","90","","4512.9","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H40 Cl N3 O P2 Ru -","- C50 H40 Cl N3 O P2 Ru -","- C200 H160 Cl4 N12 O4 P8 Ru4 -","4","0.5","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0347","0.0317","","","0.0799","0.0814","","","","","","1.109","","","","has coordinates","195917","2020-10-21","18:00:00",""
"4514104","14.2935","0.0009","18.4185","0.0011","22.7313","0.0013","90","","108.44","0.004","90","","5677.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Cl5 N4 O P2 Ru -","- C54 H47 Cl5 N4 O P2 Ru -","- C216 H188 Cl20 N16 O4 P8 Ru4 -","4","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0965","0.0814","","","0.203","0.2122","","","","","","1.057","","","","has coordinates","195918","2020-10-21","18:00:00",""
"4514105","11.8324","0.0013","14.2246","0.0016","18.611","0.002","86.239","0.002","84.443","0.002","71.637","0.002","2956.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C118 H98 Cl10 N8 O4 P4 Ru4 -","2","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0636","0.0512","","","0.1173","0.1228","","","","","","1.047","","","","has coordinates","195919","2020-10-21","18:00:00",""
"4514106","8.4166","0.0003","11.03","0.0004","16.025","0.0006","84.085","0.002","76.9","0.002","69.246","0.002","1354.52","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 F3 N5 O6 Ru S -","- C29 H20 F3 N5 O6 Ru S -","- C58 H40 F6 N10 O12 Ru2 S2 -","2","1","","Kagalwala, Husain N.; Tong, Lianpeng; Zong, Ruifa; Kohler, Lars; Ahlquist, Mårten S. G.; Fan, Ting; Gagnon, Kevin J.; Thummel, Randolph P.","Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation","ACS Catalysis","2017","7","4","2607","","10.1021/acscatal.6b03278","","","0.7749","synchrotron","","0.0472","0.0342","","","0.07","0.0746","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514107","8.8677","0.0002","10.0871","0.0002","14.1044","0.0002","90","","90","","90","","1261.63","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis","ACS Catalysis","2017","7","4","2981","","10.1021/acscatal.7b00562","","","1.54178","CuKα","","0.0235","0.0234","","","0.0576","0.0577","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514108","17.7576","0.001","12.9229","0.0007","12.7518","0.0007","90","","90","","90","","2926.3","0.3","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","(6,6'-dihydroxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H8 Br Mn N2 O5 -","- C13 H8 Br Mn N2 O5 -","- C104 H64 Br8 Mn8 N16 O40 -","8","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0535","0.0356","","","0.08","0.0852","","","","","","1.017","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514109","8.1795","0.0005","16.3907","0.0011","11.9305","0.0006","90","","90.478","0.005","90","","1599.44","0.17","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-dimethoxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C15 H12 Br Mn N2 O5 -","- C15 H12 Br Mn N2 O5 -","- C60 H48 Br4 Mn4 N8 O20 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0382","0.031","","","0.0727","0.0753","","","","","","1.033","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514110","7.5829","0.0002","9.6475","0.0003","20.0238","0.0005","90","","93.812","0.003","90","","1461.62","0.07","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-diamino-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H10 Br Mn N4 O3 -","- C13 H10 Br Mn N4 O3 -","- C52 H40 Br4 Mn4 N16 O12 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0291","0.0241","","","0.0571","0.0585","","","","","","1.044","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514111","8.9121","0.00019","12.7125","0.0003","17.6682","0.0004","84.4838","0.0018","86.3815","0.0018","83.4002","0.0017","1976.5","0.08","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(6,6'-dihydroxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C16 H11 F3 Mn N3 O8 S -","- C16 H11 F3 Mn N3 O8 S -","- C64 H44 F12 Mn4 N12 O32 S4 -","4","2","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0332","0.0286","","","0.0717","0.0738","","","","","","1.061","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514112","8.19264","0.00016","11.4621","0.0003","23.0399","0.0005","90","","92.2861","0.0019","90","","2161.84","0.08","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(6,6'-dimethoxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C18 H15 F3 Mn N3 O8 S -","- C18 H15 F3 Mn N3 O8 S -","- C72 H60 F12 Mn4 N12 O32 S4 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0277","0.0253","","","0.0667","0.0678","","","","","","1.052","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514115","9.04501","0.00007","9.77593","0.00009","25.19795","0.00017","90","","92.5278","0.0007","90","","2225.92","0.03","175","","175","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H61 N O10 S Si -","- C44 H61 N O10 S Si -","- C88 H122 N2 O20 S2 Si2 -","2","1","","Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives","ACS Catalysis","2017","7","6","3934","","10.1021/acscatal.7b00787","","x-ray","1.54184","CuKα","","0.0547","0.0532","","","0.1373","0.1394","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514118","9.5931","0.0001","12.8055","0.0002","15.6673","0.0002","90","","102.15","0.001","90","","1881.53","0.04","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N O2 S -","- C20 H24 Cl N O2 S -","- C80 H96 Cl4 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0413","0.0333","","","0.1001","0.1042","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514119","16.4786","0.0007","7.779","0.0004","28.3488","0.0015","90","","90","","90","","3633.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C152 H176 N16 O32 S8 -","8","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.71073","MoKα","","0.0673","0.0415","","","0.0881","0.0992","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514120","13.316","0.002","20.47","0.003","6.2779","0.001","90","","101.369","0.004","90","","1677.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 -","- C25 H18 -","- C100 H72 -","4","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization–Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0747","0.049","","","0.1205","0.1342","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514121","9.3854","0.0018","9.6615","0.0018","11.064","0.002","87.814","0.004","68.304","0.004","85.999","0.004","929.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 Cl O -","- C24 H17 Cl O -","- C48 H34 Cl2 O2 -","2","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization–Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0764","0.0534","","","0.1439","0.1602","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514122","4.9712","0.0009","11.992","0.002","27.578","0.005","79.676","0.006","84.855","0.004","78.156","0.004","1580.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 S -","- C22 H16 S -","- C88 H64 S4 -","4","2","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.1566","0.0987","","","0.238","0.2768","","","","","","1.052","","","","has coordinates,has disorder","200650","2020-10-21","18:00:00",""
"4514136","8.539","0.0002","15.0653","0.0004","32.9272","0.0009","90","","90","","90","","4235.84","0.19","270","2","270","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl N3 O P Ru -","- C19 H27 Cl N3 O P Ru -","- C152 H216 Cl8 N24 O8 P8 Ru8 -","8","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","1.54178","CuKα","","0.0534","0.052","","","0.1367","0.1373","","","","","","1.022","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514137","8.4904","0.0001","16.3262","0.0003","17.4261","0.0003","90","","97.79","0.001","90","","2393.24","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl N3 O2 P Ru -","- C22 H31 Cl N3 O2 P Ru -","- C88 H124 Cl4 N12 O8 P4 Ru4 -","4","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","0.71073","MoKα","","0.0335","0.0268","","","0.0671","0.0695","","","","","","1.059","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514139","14.93","0.002","11.5659","0.0017","15.258","0.0019","90","","101.808","0.004","90","","2579","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","2","","Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain","Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives","ACS Catalysis","2017","7","5","3410","","10.1021/acscatal.7b00511","","","1.54178","CuKα","","0.055","0.0514","","","0.1412","0.145","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514140","8.8643","0.0008","17.5771","0.0008","22.5359","0.0008","90","","90","","90","","3511.3","0.4","106.3","","106.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 F6 N2 O4 -","- C42 H30 F6 N2 O4 -","- C168 H120 F24 N8 O16 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita–Baylis–Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","1.5418","CuKα","","0.0383","0.0363","","","0.0889","0.0906","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514141","9.035","0.002","5.7594","0.0015","13.277","0.003","90","","100.891","0.007","90","","678.4","0.3","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.71073","MoKα","","0.0544","0.042","","","0.0989","0.1056","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514142","11.6983","0.0003","13.0767","0.0003","13.6557","0.0005","90","","114.637","0.004","90","","1898.82","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0416","0.0369","","","0.0975","0.1006","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514143","10.2375","0.0002","9.4009","0.0002","16.6135","0.0004","90","","98.412","0.002","90","","1581.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0519","0.036","","","0.0916","0.093","","","","","","0.963","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514154","7.8153","0.0007","11.0933","0.001","11.0932","0.0012","78.955","0.007","85.104","0.007","77.783","0.006","921.55","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 F5 N3 O7 V -","- C16 H11 F5 N3 O7 V -","- C32 H22 F10 N6 O14 V2 -","2","1","","Gazi, Sarifuddin; Đokić, Miloš; Moeljadi, Adhitya Mangala Putra; Ganguly, Rakesh; Hirao, Hajime; Soo, Han Sen","Kinetics and DFT Studies of Photoredox Carbon–Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions","ACS Catalysis","2017","7","7","4682","","10.1021/acscatal.7b01036","","","0.71073","MoKα","","0.1149","0.0548","","","0.0998","0.1218","","","","","","0.981","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514158","7.1346","0.0003","14.8376","0.0006","15.0064","0.0006","90","","98.492","0.002","90","","1571.17","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 Cl3 O4 -","- C14 H13 Cl3 O4 -","- C56 H52 Cl12 O16 -","4","2","","Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric","Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex","ACS Catalysis","2017","7","8","5151","","10.1021/acscatal.7b01296","","","0.71073","MoKα","","0.0292","0.0249","","","0.0525","0.0539","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514159","8.809","0.003","15.299","0.005","16.461","0.005","90","","93.573","0.006","90","","2214.1","1.2","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Si2 -","- C22 H38 Si2 -","- C88 H152 Si8 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0396","0.0318","","","0.0929","0.0988","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514160","14.3075","0.0014","24.95","0.002","17.0373","0.0016","90","","98.009","0.006","90","","6022.5","1","100","2","100.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H100 O2 Sc2 Si6 -","- C48 H100 O2 Sc2 Si6 -","- C192 H400 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0988","0.0586","","","0.1292","0.1513","","","","","","1.079","","","","has coordinates,has disorder","200647","2020-10-21","18:00:00",""
"4514164","22.1203","0.0005","7.6123","0.0001","16.3803","0.0004","90","","127.077","0.004","90","","2200.58","0.14","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C55 H44 Cl2 N2 O4 -","- C55 H44 Cl2 N2 O4 -","- C110 H88 Cl4 N4 O8 -","2","0.5","","He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua","Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization","ACS Catalysis","2017","7","8","5316","","10.1021/acscatal.7b01855","","","1.54184","CuKα","","0.0371","0.0365","","","0.1008","0.1017","","","","","","1.056","","","","has coordinates","200646","2020-10-21","18:00:00",""
"4514166","12.8527","0.0008","12.8527","0.0008","10.7921","0.0007","90","","90","","90","","1782.77","0.19","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0337","0.0315","","","0.0862","0.0876","","","","","","1.115","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514167","6.5169","0.001","11.8049","0.0018","9.5214","0.0015","90","","105.261","0.005","90","","706.66","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0479","0.0386","","","0.0965","0.1005","","","","","","1.113","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514168","8.3814","0.0004","7.0296","0.0003","12.3499","0.0005","90","","96.2862","0.0012","90","","723.26","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0425","0.0381","","","0.0999","0.1034","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514169","8.9232","0.0014","17.371","0.003","23.537","0.004","90","","90","","90","","3648.4","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 Cl F6 N2 O3 -","- C42 H29 Cl F6 N2 O3 -","- C168 H116 Cl4 F24 N8 O12 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita–Baylis–Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","0.71073","MoKα","","0.0556","0.0484","","","0.0952","0.099","","","","","","1.065","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514173","16.2948","0.0006","17.0253","0.0007","20.361","0.0008","90","","103.07","0.001","90","","5502.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H71 O10.5 Rh2 -","- C55.5 H71 O10.5 Rh2 -","- C222 H284 O42 Rh8 -","4","1","","Chen, Po-An; Setthakarn, Krit; May, Jeremy A.","A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate Ligand with α-Quaternary Carbon Centers","ACS Catalysis","2017","7","9","6155","","10.1021/acscatal.7b01388","","","1.54178","CuKα","","0.0271","0.0259","","","0.0648","0.0655","","","","","","1.061","","","","has coordinates,has disorder","200147","2020-10-21","18:00:00",""
"4514183","18.2889","0.0006","18.1841","0.0007","18.6875","0.0006","90","","111.842","0.003","90","","5768.7","0.4","99.93","","99.93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H96 O2 Sc2 Si6 -","- C46 H96 O2 Sc2 Si6 -","- C184 H384 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","1.54178","CuKα","","0.1182","0.082","","","0.2147","0.2436","","","","","","1.024","","","","has coordinates","200222","2020-10-21","18:00:00",""
"4514184","29.449","0.003","4.6494","0.0005","29.503","0.003","90","","103.649","0.003","90","","3925.5","0.7","100","2","99.98","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Au Cl0.25 F6 N O4 -","- C19 H12 Au Cl0.25 F6 N O4 -","- C152 H96 Au8 Cl2 F48 N8 O32 -","8","2","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor","trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway","ACS Catalysis","2017","7","8","5023","","10.1021/acscatal.7b01364","","x-ray","0.71073","MoKα","","0.0529","0.0525","","","0.117","0.1172","","","","","","1.268","","","","has coordinates","200223","2020-10-21","18:00:00",""
"4514185","9.8901","0.0018","10.4204","0.0019","12.056","0.002","68.572","0.002","85.149","0.002","69.897","0.002","1084.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 O P -","- C25 H21 O P -","- C50 H42 O2 P2 -","2","1","","Toda, Yasunori; Sakamoto, Tomoyuki; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","A Phosphonium Ylide as an Ionic Nucleophilic Catalyst for Primary Hydroxyl Group Selective Acylation of Diols","ACS Catalysis","2017","7","9","6150","","10.1021/acscatal.7b02281","","","0.71073","","","0.0454","0.0402","","","0.1289","0.133","","","","","","1.369","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514187","15.4176","0.0016","11.3505","0.0012","20.247","0.002","90","","90","","90","","3543.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Li, Yang; Hu, Ming; Li, Jin-Heng","Silver-Catalyzed Intermolecular [3 + 2]/[5 + 2] Annulation of N-Arylpropiolamides with Vinyl Acids: Facile Synthesis of Fused 2H-Benzo[b]azepin-2-ones","ACS Catalysis","2017","7","10","6757","","10.1021/acscatal.7b02061","","","0.71073","MoKα","","0.0713","0.0421","","","0.0979","0.1124","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514188","6.3768","0.0006","10.567","0.0009","11.5596","0.001","108.484","0.003","92.159","0.003","106.084","0.003","703.06","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","1.54178","CuKα","","0.0396","0.0379","","","0.1029","0.1053","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514189","10.3381","0.0003","12.1298","0.0003","12.7543","0.0003","98.7084","0.0007","97.6979","0.0007","101.969","0.0007","1523.79","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","2","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","0.71073","MoKα","","0.0485","0.0397","","","0.0988","0.1065","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514190","13.5317","0.0006","16.7932","0.0007","14.6934","0.0006","90","","95.148","0.002","90","","3325.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 Cl N O P4 W -","- C27 H52 Cl N O P4 W -","- C108 H208 Cl4 N4 O4 P16 W4 -","4","1","","Rudshteyn, Benjamin; Vibbert, Hunter B.; May, Richard; Wasserman, Eric; Warnke, Ingolf; Hopkins, Michael D.; Batista, Victor S.","Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten‒Alkylidyne Complexes","ACS Catalysis","2017","7","9","6134","","10.1021/acscatal.7b01636","","","0.71073","MoKα","","0.0395","0.0209","","","0.0338","0.037","","","","","","1.076","","","","has coordinates,has disorder","200420","2020-10-21","18:00:00",""
"4514193","16.9652","0.0006","19.7318","0.0008","24.8974","0.0011","90","","90","","90","","8334.5","0.6","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.21 H40.41 Cl2.41 Cu I N6 -","- C37.2095 H40.419 Cl2.419 Cu I N6 -","- C297.676 H323.352 Cl19.352 Cu8 I8 N48 -","8","2","","Wan, Kai Y.; Sung, Molly M. H.; Lough, Alan J.; Morris, Robert H.","Half-Sandwich Ruthenium Catalyst Bearing an Enantiopure Primary Amine Tethered to an N-Heterocyclic Carbene for Ketone Hydrogenation","ACS Catalysis","2017","7","10","6827","","10.1021/acscatal.7b02346","","","1.54178","CuKα","","0.0677","0.0528","","","0.1367","0.1484","","","","","","1.036","","","","has coordinates","202642","2020-10-21","18:00:00",""
"4514194","12.3832","0.0005","17.1052","0.0006","17.3844","0.0007","90","","106.111","0.002","90","","3537.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Cl Ni P2 -","- C36 H35 Cl Ni P2 -","- C144 H140 Cl4 Ni4 P8 -","4","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0364","0.0301","","","0.0714","0.0747","","","","","","1.038","","","","has coordinates,has disorder","202644","2020-10-21","18:00:00",""
"4514195","10.3622","0.0004","11.0841","0.0003","13.1883","0.0005","100.947","0.002","102.623","0.002","105.014","0.002","1377.98","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Cl Ni P2 -","- C32 H35 Cl Ni P2 -","- C64 H70 Cl2 Ni2 P4 -","2","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0539","0.0384","","","0.088","0.0954","","","","","","1.041","","","","has coordinates","202644","2020-10-21","18:00:00",""
"4514196","9.1605","0.0004","12.4145","0.0005","15.8667","0.0007","91.003","0.002","105.64","0.002","97.611","0.002","1719.61","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H52 Hf N2 -","- C39 H52 Hf N2 -","- C78 H104 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0257","0.0213","","","0.0526","0.0534","","","","","","1.102","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514197","10.3324","0.0008","14.8323","0.0011","16.0844","0.0012","90","","97.923","0.003","90","","2441.5","0.3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Hf N2 -","- C28 H36 Hf N2 -","- C112 H144 Hf4 N8 -","4","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0407","0.0287","","","0.057","0.0609","","","","","","1.063","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514198","11.0762","0.0007","11.953","0.0008","12.8362","0.0009","79.555","0.003","66.82","0.003","67.872","0.003","1446.09","0.17","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 Hf N2 -","- C33 H40 Hf N2 -","- C66 H80 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.019","0.0166","","","0.0417","0.043","","","","","","1.083","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514199","9.6947","0.0004","12.8143","0.0005","22.3108","0.0009","91.516","0.002","95.983","0.002","93.882","0.002","2748.7","0.19","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Hf N2 -","- C32 H38 Hf N2 -","- C128 H152 Hf4 N8 -","4","2","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.041","0.0299","","","0.0598","0.0635","","","","","","1.042","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514200","9.3898","0.0005","10.7845","0.0006","13.8529","0.0007","87.005","0.002","78.576","0.002","86.78","0.003","1371.63","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 Hf N2 -","- C32 H36 Hf N2 -","- C64 H72 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0186","0.0159","","","0.0388","0.0394","","","","","","1.076","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514201","8.2547","0.0002","11.7633","0.0002","28.9888","0.0007","90","","90","","90","","2814.89","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br N3 O4 -","- C30 H30 Br N3 O4 -","- C120 H120 Br4 N12 O16 -","4","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.0529","0.0404","","","0.1009","0.1097","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514202","9.6201","0.001","10.3131","0.0012","14.6525","0.0017","78.547","0.009","72.894","0.009","89.686","0.009","1359.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.1051","0.082","","","0.2112","0.2377","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514205","9.6682","0.0005","10.6608","0.0004","48.1982","0.0018","90","","90","","90","","4967.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C248 H256 Fe8 O24 -","8","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.117","0.0688","","","0.1322","0.1484","","","","","","1.031","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514206","38.935","0.009","8.5678","0.0006","28.446","0.007","90","","133.9","0.04","90","","6837","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20.25 H24.25 Cl0.5 O2 -","- C20.25 H24.25 Cl0.5 O2 -","- C324 H388 Cl8 O32 -","16","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.1815","0.0915","","","0.2373","0.2838","","","","","","1.054","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514207","15.8414","0.0002","14.5592","0.0002","24.0253","0.0004","90","","90","","90","","5541.15","0.14","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H26 F6 Ir N3 O8 S2 -","- C21 H26 F6 Ir N3 O8 S2 -","- C168 H208 F48 Ir8 N24 O64 S16 -","8","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0287","","","","0.0528","","","","","","1.069","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514208","9.5878","0.0015","10.2028","0.0016","11.8401","0.0018","83.082","0.003","88.989","0.003","83.868","0.003","1143.2","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 F3 Ir N3 O5 S -","- C20 H25 F3 Ir N3 O5 S -","- C40 H50 F6 Ir2 N6 O10 S2 -","2","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0332","","","","0.0447","","","","","","1.013","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514209","11.9189","0.0008","11.9269","0.0008","13.6776","0.0009","89.671","0.005","67.67","0.006","63.388","0.007","1575.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 Cl2 N6 -","- C35 H32 Cl2 N6 -","- C70 H64 Cl4 N12 -","2","1","","Zhou, Xukai; Luo, Yixin; Kong, Lingheng; Xu, Youwei; Zheng, Guangfan; Lan, Yu; Li, Xingwei","Cp*CoIII-Catalyzed Branch-Selective Hydroarylation of Alkynes via C–H Activation: Efficient Access to α-gem-Vinylindoles","ACS Catalysis","2017","7","10","7296","","10.1021/acscatal.7b02248","","","0.71073","MoKα","","0.0865","0.0585","","","0.1614","0.1908","","","","","","0.929","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514216","10.3642","0.00016","10.71104","0.00015","30.9626","0.0004","90","","90","","90","","3437.2","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H43 O P Si -","- C42 H43 O P Si -","- C168 H172 O4 P4 Si4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0255","0.0242","","","0.0605","0.0614","","","","","","1.039","","","","has coordinates","202650","2020-10-21","18:00:00",""
"4514217","4.7873","0.0001","12.3631","0.0002","25.26","0.0004","90","","90","","90","","1495.04","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C–H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0335","0.0328","","","0.0848","0.0853","","","","","","1.095","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514218","7.1369","0.0003","13.1737","0.0007","35.7724","0.0017","90","","90","","90","","3363.3","0.3","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H6 F8 S2 -","- C20 H6 F8 S2 -","- C160 H48 F64 S16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0567","0.0419","","","0.0851","0.0898","","","","","","1.143","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514219","8.8663","0.0006","12.7576","0.0008","9.7375","0.0006","90","","112.848","0.002","90","","1015.01","0.11","153","","153","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl F4 Mg O3 -","- C18 H25 Cl F4 Mg O3 -","- C36 H50 Cl2 F8 Mg2 O6 -","2","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0443","0.0403","","","0.1059","0.1097","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514220","39.6323","0.0016","11.1626","0.0004","19.9766","0.0008","90","","90","","90","","8837.6","0.6","273","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H30 F8 Ni O P2 -","- C48 H30 F8 Ni O P2 -","- C384 H240 F64 Ni8 O8 P16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","1.54178","CuKα","","0.048","0.0436","","","0.1305","0.1356","","","","","","1.023","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514221","7.7206","0.0003","10.8574","0.0004","19.0756","0.0007","90","","90.148","0.001","90","","1599.02","0.1","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F4 O2 S2 -","- C17 H10 F4 O2 S2 -","- C68 H40 F16 O8 S8 -","4","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0304","0.0276","","","0.0729","0.0747","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514222","5.7087","0.0015","16.28","0.004","17.073","0.005","90","","90","","90","","1586.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O4 -","- C36 H32 N8 O4 -","- C72 H64 N16 O8 -","2","0.5","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide–Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0388","0.0337","","","0.0833","0.0864","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514223","11.611","0.002","19.247","0.004","8.0285","0.0016","90","","107.27","0.03","90","","1713.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide–Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0469","0.0415","","","0.1115","0.1155","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514224","5.9454","0.0003","23.5638","0.001","6.5353","0.0003","90","","104.593","0.004","90","","886.03","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0689","0.0644","","","0.1686","0.1724","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514225","6.0866","0.0008","21.259","0.004","7.3676","0.001","90","","106.814","0.014","90","","912.6","0.3","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0727","0.0607","","","0.1637","0.1736","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514226","27.734","0.002","9.9782","0.0005","18.5024","0.0011","90","","111.932","0.005","90","","4749.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H59 Cl3 Fe2 N2 Pd -","- C49 H59 Cl Fe2 N2 Pd -","- C196 H236 Cl4 Fe8 N8 Pd4 -","4","0.5","","Zhao, Minhui; Chen, Changle","Accessing Multiple Catalytically Active States in Redox-Controlled Olefin Polymerization","ACS Catalysis","2017","7","11","7490","","10.1021/acscatal.7b02564","","","1.54184","CuKα","","0.0619","0.0454","","","0.1162","0.1375","","","","","","1.065","","","","has coordinates,has disorder","202657","2020-10-21","18:00:00",""
"4514231","6.6244","0.0003","9.5477","0.0005","11.0255","0.0005","69.728","0.001","77.396","0.001","74.138","0.001","623.31","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C26 H22 Br2 O4 S2 -","2","1","","Li, Yiming; Wang, Ming; Jiang, Xuefeng","Controllable Sulfoxidation and Sulfenylation with Organic Thiosulfate Salts via Dual Electron- and Energy-Transfer Photocatalysis","ACS Catalysis","2017","7","11","7587","","10.1021/acscatal.7b02735","","","0.71073","MoKα","","0.0375","0.0321","","","0.0855","0.0893","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514232","6.2606","0.0006","7.9157","0.0007","45.636","0.005","90","","90","","90","","2261.6","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O6 S -","- C26 H26 O6 S -","- C104 H104 O24 S4 -","4","1","","Wu, Zijun; Wang, Jian","Enantioselective Medium-Ring Lactone Synthesis through an NHC-Catalyzed Intramolecular Desymmetrization of Prochiral 1,3-Diols","ACS Catalysis","2017","7","11","7647","","10.1021/acscatal.7b02302","","","0.71073","MoKα","","0.0681","0.0606","","","0.1084","0.1123","","","","","","1.15","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514233","15.7631","0.0003","9.2957","0.0002","35.3175","0.0008","90","","95.742","0.002","90","","5149.07","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H32 Fe N P S -","- C30 H32 Fe N P S -","- C240 H256 Fe8 N8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0745","0.0763","","","","","","1.054","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514234","18.433","0.006","8.274","0.003","18.909","0.007","90","","117.569","0.003","90","","2556.4","1.6","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Fe P S -","- C28 H32 B Fe P S -","- C112 H128 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.0518","0.037","","","0.0837","0.0918","","","","","","1.026","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514235","12.13","0.009","11.24","0.009","23.29","0.018","90","","96.035","0.013","90","","3158","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B Fe P S -","- C36 H44 B Fe P S -","- C144 H176 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.1512","0.0592","","","0.109","0.1374","","","","","","0.949","","","","has coordinates,has disorder","202659","2020-10-21","18:00:00",""
"4514236","17.451","0.004","19.304","0.005","20.241","0.005","90","","90","","90","","6819","3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Fe O P S -","- C42 H41 Fe O P S -","- C336 H328 Fe8 O8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0804","0.0458","","","0.1226","0.1491","","","","","","0.94","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514237","10.13","0.002","14.433","0.003","16.554","0.004","90","","90","","90","","2420.3","0.9","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C28 H29 Cl Fe P S -","- C28 H29 Cl Fe P S -","- C112 H116 Cl4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0314","0.0289","","","0.0722","0.0742","","","","","","1.04","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514238","10.1455","0.0006","14.4475","0.0009","16.7227","0.0012","90","","90","","90","","2451.2","0.3","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C29 H29 Fe O P S -","- C29 H29 Fe O P S -","- C116 H116 Fe4 O4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0478","0.0347","","","0.0643","0.0682","","","","","","1.025","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514239","6.468","0.002","24.149","0.009","12.121","0.004","90","","101.11","0.016","90","","1857.8","1.1","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 -","- C20 H25 B O3 -","- C80 H100 B4 O12 -","4","2","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron–Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.116","0.0839","","","0.1856","0.2079","","","","","","0.958","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514246","9.5092","0.0006","12.3167","0.0008","15.9826","0.0008","90","","90","","90","","1871.91","0.19","290.56","0.1","290.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 S -","- C24 H18 O2 S -","- C96 H72 O8 S4 -","4","1","","Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","N-Heterocyclic Carbene-Catalyzed Atom-Economical and Enantioselective Construction of the C–S Bond: Asymmetric Synthesis of Functionalized Thiochromans","ACS Catalysis","2017","7","11","7797","","10.1021/acscatal.7b02651","","","0.71073","MoKα","","0.0597","0.0484","","","0.096","0.1064","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514247","9.3432","0.0005","12.1755","0.0006","14.6611","0.0008","90","","102.176","0.006","90","","1630.3","0.15","294.33","0.1","294.33","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0565","","","0.1158","0.146","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514248","6.417","0.0004","7.0536","0.001","10.791","0.0007","90","","93.618","0.007","90","","487.46","0.08","294.59","0.1","294.59","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","0.5","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0605","","","0.1303","0.1713","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514249","10.8566","0.0008","10.8566","0.0008","11.4924","0.0008","90","","90","","120","","1173.08","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 32","P 32","145","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C54 H51 N3 O9 -","3","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.0767","0.0538","","","0.1017","0.1193","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514250","5.6577","0.0002","8.9036","0.0002","32.5408","0.0008","90","","90","","90","","1639.21","0.08","301","2","300.68","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Su, Yong-Liang; Han, Zhi-Yong; Li, Yu-Hui; Gong, Liu-Zhu","Asymmetric Allylation of Furfural Derivatives: Synergistic Effect of Chiral Ligand and Organocatalyst on Stereochemical Control","ACS Catalysis","2017","7","11","7917","","10.1021/acscatal.7b02667","","","1.54178","CuKα","","0.0493","0.0461","","","0.1248","0.1292","","","","","","1.135","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514251","11.127","0.001","11.586","0.001","16.948","0.002","85.617","0.002","75.929","0.002","70.932","0.002","2003","0.3","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H37 Cl4 Ir O3 P2 -","- C44 H37 Cl4 Ir O3 P2 -","- C88 H74 Cl8 Ir2 O6 P4 -","2","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.0387","0.0362","","","0.082","0.0832","","","","","","1.095","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514252","13.554","0.002","25.997","0.004","13.478","0.002","90","","108.116","0.002","90","","4513.7","1.2","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cl Ir N O7 P2 -","- C44 H32 Cl Ir N O7 P2 -","- C176 H128 Cl4 Ir4 N4 O28 P8 -","4","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.082","0.0787","","","0.1748","0.1765","","","","","","1.304","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514253","8.323","0.002","11.108","0.002","11.747","0.003","95.97","0.018","98.14","0.02","94.164","0.018","1065","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O3 Pd -","- C24 H20 N4 O3 Pd -","- C48 H40 N8 O6 Pd2 -","2","1","","Deb, Arghya; Singh, Sukriti; Seth, Kapileswar; Pimparkar, Sandeep; Bhaskararao, Bangaru; Guin, Srimanta; Sunoj, Raghavan B.; Maiti, Debabrata","Experimental and Computational Studies on Remote γ-C(sp3)‒H Silylation and Germanylation of Aliphatic Carboxamides","ACS Catalysis","2017","7","12","8171","","10.1021/acscatal.7b03056","","x-ray","1.54184","CuKα","","0.2606","0.1739","","","0.3856","0.4866","","","","","","1.131","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514278","16.3885","0.0003","16.597","0.0003","21.2038","0.0005","91.749","0.002","101.863","0.002","113.393","0.002","5139.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H104 O120 W19 Zn3 -","- Cu2 Gd4 O120 W19 Zn3 -","- Cu4 Gd8 O240 W38 Zn6 -","2","1","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.0651","0.0426","","","0.0924","0.1032","","","","","","1.038","","","","has coordinates","202575","2020-10-21","18:00:00",""
"4514279","12.3498","0.0013","13.2731","0.0013","16.0314","0.0011","68.011","0.008","70.892","0.008","69.811","0.009","2226.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H114 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","1","0.5","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.1359","0.0913","","","0.2082","0.2351","","","","","","1.266","","","","has coordinates","202576","2020-10-21","18:00:00",""
"4514280","11.051","0.0014","15.235","0.002","16.459","0.002","90","","105.354","0.004","90","","2672.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O7 Ru S -","- C26 H28 N4 O7 Ru S -","- C104 H112 N16 O28 Ru4 S4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Gimbert-Suriñach, Carolina; Benet-Buchholz, Jordi; Sala, Xavier; Llobet, Antoni","Hydrogen Bonding Rescues Overpotential in Seven-Coordinated Ru Water Oxidation Catalysts","ACS Catalysis","2017","7","10","6525","","10.1021/acscatal.7b01860","","","0.71073","MoKα","","0.043","0.0307","","","0.0696","0.0755","","","","","","1.037","","","","has coordinates,has disorder","202577","2020-10-21","18:00:00",""
"4514281","9.919","0.006","10.244","0.005","10.412","0.006","65.248","0.012","89.25","0.02","80.89","0.02","947","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Ir N2 O6 S -","- C17 H25 Ir N2 O6 S -","- C34 H50 Ir2 N4 O12 S2 -","2","1","","Kanega, Ryoichi; Onishi, Naoya; Szalda, David J.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands","ACS Catalysis","2017","7","10","6426","","10.1021/acscatal.7b02280","","","0.71075","MoKα","","0.0483","0.0447","","","0.107","0.1104","","","","","","1.111","","","","has coordinates","202578","2020-10-21","18:00:00",""
"4514282","12.1349","0.0008","12.2766","0.0008","18.6225","0.0012","85.388","0.001","74.176","0.001","65.392","0.001","2425","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0257","0.0227","","","0.0463","0.0473","","","","","","1.009","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514283","12.196","0.004","12.295","0.004","18.618","0.006","86.04","0.01","73.489","0.009","64.932","0.01","2420.3","1.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.95 H139.51 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0976","0.0853","","","0.2324","0.2427","","","","","","1.108","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514284","12.0666","0.0005","12.3213","0.0006","18.3525","0.0008","74.092","0.001","87.97","0.001","65.236","0.001","2372.91","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0784","0.0533","","","0.0948","0.102","","","","","","0.83","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514285","17.557","0.006","19.409","0.008","12.845","0.004","90","","99.726","0.008","90","","4314","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 In2 N4 O6 -","- C72 H104 In2 N4 O6 -","- C144 H208 In4 N8 O12 -","2","0.5","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.1051","0.0588","","","0.1453","0.1893","","","","","","1.081","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514286","5.1494","0.0009","10.5103","0.0018","23.635","0.004","90","","90","","90","","1279.2","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-(4-Bromophenyl)-4-oxo-4-(1H-pyrrol-1-yl)butanenitrile","","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C56 H44 Br4 N8 O4 -","4","1","","Hatano, Manabu; Yamakawa, Katsuya; Ishihara, Kazuaki","Enantioselective Conjugate Hydrocyanation of α,β-Unsaturated N-Acylpyrroles Catalyzed by Chiral Lithium(I) Phosphoryl Phenoxide","ACS Catalysis","2017","7","10","6686","","10.1021/acscatal.7b02551","","","0.71075","MoKα","","0.0205","0.0188","","","0.0391","0.0393","","","","","","0.967","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514289","8.76727","0.00017","24.7029","0.0005","9.7159","0.0002","90","","100.555","0.0018","90","","2068.63","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 N4 O2 -","- C23 H19 F3 N4 O2 -","- C92 H76 F12 N16 O8 -","4","1","","Ye, Jian-Heng; Zhu, Lei; Yan, Si-Shun; Miao, Meng; Zhang, Xin-Chi; Zhou, Wen-Jun; Li, Jing; Lan, Yu; Yu, Da-Gang","Radical Trifluoromethylative Dearomatization of Indoles and Furans with CO2","ACS Catalysis","2017","7","12","8324","","10.1021/acscatal.7b02533","","","1.54184","CuKα","","0.0582","0.0548","","","0.1459","0.1498","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514290","9.4232","0.0007","10.4405","0.0005","14.3166","0.0012","98.121","0.006","99.958","0.007","116.027","0.007","1208.5","0.18","100","0.1","100","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N8 Ru -","- C20 H20 Cl2 N8 Ru -","- C40 H40 Cl4 N16 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0935","0.0799","","","0.2203","0.2324","","","","","","1.139","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514291","6.9529","0.0002","11.5712","0.0007","16.87","0.0013","92.79","0.006","99.326","0.004","96.309","0.004","1328.14","0.14","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O3.95 Ru -","- C24 H22 Cl2 N2 O3.95 Ru -","- C48 H44 Cl4 N4 O7.9 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","0.71073","MoKα","","0.1093","0.0767","","","0.1942","0.2107","","","","","","1","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514292","10.6051","0.0008","10.7857","0.0009","16.5095","0.0015","93.576","0.007","102.19","0.007","107.715","0.007","1742","0.3","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H23 Br Cl11 N5 Ru -","- C23 H23 Br Cl11 N5 Ru -","- C46 H46 Br2 Cl22 N10 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0782","0.0659","","","0.1708","0.1847","","","","","","1.023","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514293","12.1191","0.0018","13.987","0.002","14.338","0.002","66.838","0.002","73.267","0.002","64.731","0.002","1999.6","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 Zn -","- C46 H48 N4 Zn -","- C92 H96 N8 Zn2 -","2","1","","Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I.","Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles","ACS Catalysis","2017","7","12","8454","","10.1021/acscatal.7b02811","","","0.71073","MoKα","","0.0751","0.0457","","","0.124","0.1462","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4516726","8.4814","0.0004","13.8492","0.0007","19.5575","0.001","86.4189","0.0015","81.6947","0.0013","73.8739","0.0014","2183.1","0.19","93","0.2","93","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C112 H84 N12 O12 -","4","2","","Yamamoto, Yoshihiko; Nishimura, Kei-ichiro; Shibuya, Masatoshi","Ruthenium-Catalyzed Cycloisomerization of 1,6-Diynes with Styryl Terminals Leading to Indenylidene Cycloalkanes","ACS Catalysis","2017","7","2","1101","","10.1021/acscatal.6b03322","","","0.71073","MoKα","","0.0582","0.0519","","","0.1334","0.1381","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516727","6.1366","0.0002","11.2261","0.0004","11.6894","0.0004","67.3845","0.001","81.2585","0.001","88.6059","0.0011","734.21","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H40 O7 -","- C33 H40 O7 -","- C33 H40 O7 -","1","1","","Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Carbohydrate Oxidations: A Nuclear Magnetic Resonance (NMR) Study on Selectivity, Rate, and Side-Product Formation.","ACS catalysis","2017","7","2","1438","1445","10.1021/acscatal.6b03459","","","0.71073","MoKα","","0.0346","0.0331","","","0.082","0.0831","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516728","6.915","0.0008","12.31","0.0007","14.954","0.002","82.822","0.008","83.631","0.01","85.687","0.007","1252.7","0.2","198","","198","","","","","","","","see text","7","P -1","-P 1","2","","","","- C17 H18 Cl3 F6 N8 P Pd -","- C17 H18 Cl3 F6 N8 P Pd -","- C34 H36 Cl6 F12 N16 P2 Pd2 -","2","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0517","0.0339","","","0.0534","0.0566","","","","","","1.138","","","","has coordinates,has disorder","239490","2020-10-21","18:00:00",""
"4516729","9.133","0.004","21.693","0.002","12.682","0.005","90","","90","","90","","2512.6","1.5","198","","198","","","","","","","","see text","7","P n a 21","P 2c -2n","33","","","","- C18 H42 Cl3 N O Pd S -","- C18 H42 Cl3 N O Pd S -","- C72 H168 Cl12 N4 O4 Pd4 S4 -","4","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0583","0.0366","","","0.0501","0.0535","","","","","","1.121","","","","has coordinates","239491","2020-10-21","18:00:00",""
"4516730","13.08003","0.00013","23.3536","0.0003","26.5956","0.0003","90","","90","","90","","8124.05","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38.5 H40 F9 N6.5 O2.5 S -","- C38.5 H40 F9 N6.5 O2.5 S -","- C308 H320 F72 N52 O20 S8 -","8","1","","Neuvonen, Antti J.; Földes, Tamás; Madarász, Ádám; Pápai, Imre; Pihko, Petri M.","Organocatalysts Fold To Generate an Active Site Pocket for the Mannich Reaction","ACS Catalysis","2017","7","5","3284","","10.1021/acscatal.7b00336","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.106","0.1074","","","","","","1.058","","","","has coordinates,has disorder","239492","2020-10-21","18:00:00",""
"4516731","12.6954","0.0014","5.5859","0.0006","22.534","0.002","90","","102.103","0.003","90","","1562.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Cao, Tao; Yang, Zheng; Ma, Shengming","Selectivities in Nickel-Catalyzed Hydrocarboxylation of Enynes with Carbon Dioxide","ACS Catalysis","2017","7","7","4504","","10.1021/acscatal.7b00556","","","0.71073","MoKα","","0.0839","0.0647","","","0.1737","0.1887","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516732","9.0731","0.0006","10.4974","0.0008","12.7753","0.001","98.387","0.003","102.017","0.003","101.29","0.003","1144.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H20 Cl2 N5 O2 Ru -","- C23.5 H20 Cl2 N5 O2 Ru -","- C47 H40 Cl4 N10 O4 Ru2 -","2","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0608","0.0576","","","0.1541","0.1589","","","","","","1.03","","","","has coordinates,has disorder","239494","2020-10-21","18:00:00",""
"4516733","10.3114","0.0015","14.828","0.002","18.855","0.003","90","","92.38","0.005","90","","2880.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl3 N7 Ru -","- C31 H26 Cl3 N7 Ru -","- C124 H104 Cl12 N28 Ru4 -","4","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0315","0.0272","","","0.0636","0.0661","","","","","","1.037","","","","has coordinates","239494","2020-10-21","18:00:00",""
"4516734","5.3524","0.0011","9.849","0.002","16.789","0.003","91.22","0.03","96.68","0.03","91.44","0.03","878.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C40 H40 N4 O4 S2 -","2","1","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71073","MoKα","","0.118","0.0844","","","0.2318","0.3499","","","","","","1.453","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516735","9.6188","0.0003","16.8151","0.0005","11.4121","0.0003","90","","92.913","0.003","90","","1843.42","0.09","173.01","0.1","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","2","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71","MoKα","","0.081","0.0778","","","0.211","0.2152","","","","","","1.116","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516736","10.8798","0.0005","11.5927","0.0005","14.6647","0.0006","84.709","0.002","78.676","0.002","86.719","0.002","1804.42","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H62 B Co N O2 P3 -","- C31 H62 B Co N O2 P3 -","- C62 H124 B2 Co2 N2 O4 P6 -","2","1","","Obligacion, Jennifer V.; Chirik, Paul J.","Mechanistic Studies of Cobalt-Catalyzed C(sp<sup>2</sup>)-H Borylation of Five-Membered Heteroarenes with Pinacolborane.","ACS catalysis","2017","7","7","4366","4371","10.1021/acscatal.7b01151","","","1.54178","CuKα","","0.0352","0.0316","","","0.0826","0.0914","","","","","","1.121","","","","has coordinates,has disorder","239497","2020-10-21","18:00:00",""
"4516737","13.029","0.005","31.24","0.011","9.883","0.002","90","","90","","90","","4023","2","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H53 B2 N O8 -","- C42 H53 B2 N O8 -","- C168 H212 B8 N4 O32 -","4","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C–C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0987","0.0623","","","0.1267","0.1443","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516738","5.9683","0.0001","11.8288","0.0003","12.2029","0.0003","94.8482","0.0009","101.631","0.0009","100.091","0.0009","824.32","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C–C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0734","0.048","","","0.0999","0.1137","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516739","10.0889","0.0005","10.4012","0.0005","10.9505","0.0006","114.987","0.003","111.721","0.002","93.719","0.003","933.62","0.09","140","","140","","","","","","","","","7","P -1","-P 1","2","","[(dmpbz)2Co(CH3CN)2][BF4]2,(CH3CN)2","","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","1","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0458","0.0333","","","0.08","0.086","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516740","15.0848","0.0006","20.0234","0.0007","32.3058","0.0014","90","","91.503","0.002","90","","9754.6","0.7","164","","164","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 B2 Co F8 N P4 -","- C22 H51 B2 Co F8 N P4 -","- C264 H612 B24 Co12 F96 N12 P48 -","12","3","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0893","0.0603","","","0.1555","0.1747","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516741","15.7643","0.0005","16.3813","0.0005","8.9459","0.0002","90","","90","","90","","2310.19","0.11","140","","140","","","","","","","","","4","A e a 2","A 2 -2ab","41","","CoH(dmpbz)","","- C20 H32 Co P4 -","- C20 H32 Co P4 -","- C80 H128 Co4 P16 -","4","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0451","0.0321","","","0.0655","0.07","","","","","","1.023","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""