# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-18T16:12:44+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS catalysis') AND volume = 4 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
"4509833","9.8241","0.0001","9.8241","0.0001","37.0024","0.0007","90","","90","","120","","3092.76","0.07","150","","150","","","","","","","","","4","P 65","P 65","170","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C132 H144 N12 O36 -","6","1","","Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.","One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.","ACS catalysis","2014","4","2","634","638","10.1021/cs401008v","","","1.5418","CuKα","","0.0282","0.0267","","0.0661","0.0648","0.0661","","","","","","1.0207","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509834","13.489","0.0014","19.154","0.002","12.366","0.0012","90","","116.81","0.003","90","","2851.5","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl N O4 S -","- C34 H30 Cl N O4 S -","- C136 H120 Cl4 N4 O16 S4 -","4","1","","Li, Erqing; Jia, Penghao; Liang, Ling; Huang, You","Phosphine-Catalyzed Sequential [2 +3] and [3 + 2] Annulation Domino Reaction of γ-Benzyl-Substituted Allenoates with α,β-Unsaturated Ketimines To Construct aza-Bicyclo[3,3,0]octane Derivatives","ACS Catalysis","2014","4","2","600","","10.1021/cs401161q","","","0.71075","MoKα","","0.0467","0.034","","","0.0821","0.0867","","","","","","0.995","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509835","9.0412","0.0004","31.3975","0.0015","12.3426","0.0006","90","","96.356","0.001","90","","3482.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7 Cp*Ir(Gly)I in manuscript","","","- C15.5 H19 I Ir N O2 -","- C15.5 H19 I Ir N O2 -","- C124 H152 I8 Ir8 N8 O16 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.066","0.0426","","","0.0721","0.0784","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509836","9.1576","0.0006","11.2916","0.0008","16.2687","0.0011","99.653","0.001","91.159","0.001","91.704","0.001","1657.2","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","9 Cp*Ir(Aib)Cl in manuscript","","","- C14 H23 Cl Ir N O2 -","- C14 H23 Cl Ir N O2 -","- C56 H92 Cl4 Ir4 N4 O8 -","4","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0553","0.0345","","","0.0612","0.0667","","","","","","1.035","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509837","12.8738","0.0018","16.382","0.002","26.73","0.004","90","","90","","90","","5637.3","1.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10 [Cp*Ir(Gly)]3(OTf)3 in manuscript","","","- C42 H63 F9 Ir3 N3 O16 S3 -","- C42 H63 F9 Ir3 N3 O16 S3 -","- C168 H252 F36 Ir12 N12 O64 S12 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0571","0.0504","","","0.1267","0.1339","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509838","26.456","0.002","8.5874","0.0007","21.4517","0.0018","90","","121.888","0.001","90","","4138.1","0.6","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","11 [Cp*Ir(Gly)MeCN]OTf in manuscript","","","- C15 H22 F3 Ir N2 O5 S -","- C15 H22 F3 Ir N2 O5 S -","- C120 H176 F24 Ir8 N16 O40 S8 -","8","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0465","0.0306","","","0.0564","0.061","","","","","","1.041","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509839","8.9727","0.0006","10.0097","0.0007","10.1814","0.0007","75.441","0.001","78.89","0.001","68.698","0.001","819.37","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","12 [Cp*Ir(Aib)NH3]Cl in manuscript","","","- C14 H26 Cl Ir N2 O2 -","- C14 H26 Cl Ir N2 O2 -","- C28 H52 Cl2 Ir2 N4 O4 -","2","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0301","0.0245","","","0.0522","0.0543","","","","","","1.051","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509840","10.3281","0.0006","13.3359","0.0007","24.1586","0.0014","90","","94.1269","0.0014","90","","3318.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","13 [Cp*Ir(NH3)3]Cl2 in manuscript","","","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C84 H208 Cl16 Ir8 N24 O4 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0511","0.0383","","","0.0727","0.0823","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509841","8.3622","0.0013","9.0389","0.0014","9.9889","0.0016","90","","105.24","0.004","90","","728.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","14 in manuscript","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0636","0.0477","","","0.1039","0.1138","","","","","","1.11","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509842","9.915","0.002","11.919","0.002","20.194","0.004","97.563","0.003","91.49","0.003","112.378","0.003","2180","0.7","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl6 O6 P2 Ru -","- C42 H34 Cl6 O6 P2 Ru -","- C84 H68 Cl12 O12 P4 Ru2 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.072","0.0447","","","0.0802","0.1004","","","","","","1.047","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509843","16.3958","0.0009","17.5531","0.0009","17.6055","0.0009","101.46","0.001","113.756","0.001","107.585","0.001","4111.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H64 Na O30 P3 Ru6 -","- C76 H64 Na O30 P3 Ru6 -","- C152 H128 Na2 O60 P6 Ru12 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0401","0.0289","","","0.0635","0.0684","","","","","","1.084","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509844","17.7301","0.0006","12.3659","0.0004","18.3431","0.0006","90","","102.999","0.001","90","","3918.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.2 H34 Cl0.3 O2.71 P2 Ru -","- C42.206 H34 Cl0.294 O2.706 P2 Ru -","- C168.824 H136 Cl1.176 O10.824 P8 Ru4 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0739","0.0566","","","0.1579","0.1704","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509845","19.0814","0.0017","10.8848","0.0009","15.6495","0.0014","90","","90","","90","","3250.4","0.5","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H32 O6 P2 Ru -","- C39 H32 O6 P2 Ru -","- C156 H128 O24 P8 Ru4 -","4","0.5","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0564","0.0354","","","0.0694","0.073","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509846","13.2898","0.0008","19.8988","0.0012","14.5203","0.0008","90","","94.197","0.001","90","","3829.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 O8 P2 Ru2 -","- C42 H32 O8 P2 Ru2 -","- C168 H128 O32 P8 Ru8 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0534","","","","","","1.029","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509847","9.508","0.002","9.679","0.003","10.314","0.003","82.54","0.03","74.65","0.02","73.17","0.02","874.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl F N2 O -","- C19 H22 Cl F N2 O -","- C38 H44 Cl2 F2 N4 O2 -","2","1","","Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives","ACS Catalysis","2014","4","1","49","","10.1021/cs400904t","","","0.7107","MoKα","","0.1044","0.0581","","","0.1542","0.1904","","","","","","1.028","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4510029","12.4567","0.0004","14.2413","0.0005","18.0693","0.0013","90","","90","","90","","3205.5","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H44 B2 F8 Ir N4 O2 P3 -","- C19 H43 B2 F8 Ir N4 O2 P3 -","- C76 H172 B8 F32 Ir4 N16 O8 P12 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0371","0.0352","","","0.0869","0.0879","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510030","8.4218","0.0004","10.3619","0.0004","10.7421","0.0008","90","","102.256","0.007","90","","916.05","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H21 B Cl F4 Ir N4 -","- C15 H21 B Cl F4 Ir N4 -","- C30 H42 B2 Cl2 F8 Ir2 N8 -","2","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71075","MoKα","","0.065","0.0546","","","0.1016","0.1069","","","","","","1.062","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510031","13.9451","0.001","22.7483","0.0004","13.5566","0.0003","90","","112.44","0.008","90","","3974.9","0.4","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H63 B Cl F4 Ir N4 O -","- C36 H63 B Cl F4 Ir N4 O -","- C144 H252 B4 Cl4 F16 Ir4 N16 O4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0471","0.0373","","","0.0792","0.0827","","","","","","1.078","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510032","10.2065","0.0005","11.645","0.0005","30.295","0.002","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C108 H212 B8 F32 Ir4 N16 O12 P8 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0396","0.0354","","","0.0713","0.0728","","","","","","1.088","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510033","10.6139","0.0003","10.4084","0.0003","27.7107","0.0019","90","","96.783","0.007","90","","3039.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 B2 F8 Ir N4 O P -","- C24 H44 B2 F8 Ir N4 O P -","- C96 H176 B8 F32 Ir4 N16 O4 P4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0392","0.0312","","","0.0678","0.0719","","","","","","1.057","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510034","15.4119","0.0003","10.641","0.0002","20.2231","0.0014","90","","102.973","0.007","90","","3231.9","0.3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H45 B2 F8 Ir N4 P4 -","- C20 H45 B2 F8 Ir N4 P4 -","- C80 H180 B8 F32 Ir4 N16 P16 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","1.54178","CuKα","","0.1051","0.0844","","","0.2288","0.2487","","","","","","1.083","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510035","10.6892","0.0003","27.0455","0.0008","9.0785","0.0003","90","","108.475","0.001","90","","2489.28","0.13","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N Ni O P -","- C28 H36 N Ni O P -","- C112 H144 N4 Ni4 O4 P4 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0305","0.0286","","","0.0763","0.0777","","","","","","1.04","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510036","16.4657","0.0005","18.901","0.0006","16.0566","0.0005","90","","112.481","0.001","90","","4617.4","0.3","100","2","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H52 N2 Ni O6 S2 -","- C53 H52 N2 Ni O6 S2 -","- C212 H208 N8 Ni4 O24 S8 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0421","0.0418","","","0.1068","0.1072","","","","","","1.049","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510037","10.1443","0.0004","10.6795","0.0005","11.1867","0.0005","89.583","0.002","69.987","0.002","83.908","0.002","1131.76","0.09","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H32 N Ni O3 P S -","- C22 H32 N Ni O3 P S -","- C44 H64 N2 Ni2 O6 P2 S2 -","2","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","0.71073","MoKα","","0.0689","0.0406","","","0.0849","0.0951","","","","","","1.029","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510383","8.8426","0.0004","7.5945","0.0004","12.9242","0.0006","90","","90.186","0.004","90","","867.92","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 O4 P -","- C19 H17 O4 P -","- C38 H34 O8 P2 -","2","1","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.0891","0.045","","","0.0977","0.1159","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510384","10.228","0.0002","20.6215","0.0005","21.8081","0.0005","90","","90","","90","","4599.69","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 O2 P -","- C29 H21 O2 P -","- C232 H168 O16 P8 -","8","2","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.075","0.0405","","","0.0816","0.095","","","","","","1","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510477","10.6617","0.0003","24.3076","0.0007","15.0889","0.0003","90","","90.1235","0.0005","90","","3910.44","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((3-phenylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C36 H39 F6 Mn N4 O6.5 S2 -","- C36 H39 F6 Mn N4 O6.5 S2 -","- C144 H156 F24 Mn4 N16 O26 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0464","0.0404","","","0.1048","0.108","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510478","9.6677","0.0002","15.7748","0.0004","11.2312","0.0003","90","","105.41","0.001","90","","1651.25","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis(isoquinolin-3-ylmethyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H30 F6 Mn N4 O6 S2 -","- C30 H30 F6 Mn N4 O6 S2 -","- C60 H60 F12 Mn2 N8 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","1.54178","CuKα","","0.0216","0.0214","","","0.0561","0.0562","","","","","","1.056","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510479","17.4006","0.0007","17.4254","0.0008","11.0395","0.0005","90","","90","","90","","3347.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","(2S,2'S)-1,1'-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C28 H38 F6 Mn N4 O8 S2 -","- C28 H38 F6 Mn N4 O8 S2 -","- C112 H152 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.054","0.0529","","","0.1396","0.1407","","","","","","1.118","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510480","32.4626","0.0012","32.4626","0.0012","32.4626","0.0012","90","","90","","90","","34210","2","150","2","150","2","","","","","","","","7","I 2 3","I 2 2 3","197","","(2S,2'S)-1,1'-bis((4-amino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C26 H36 F6 Mn N6 O6 S2 -","- C25.5 H32 F4.5 Mn N6 O5 S2 -","- C612 H768 F108 Mn24 N144 O120 S48 -","24","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.1646","0.1464","","","0.3904","0.4224","","","","","","2.157","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510481","8.6096","0.0002","19.9107","0.0005","11.0566","0.0003","90","","110.506","0.0008","90","","1775.26","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((4-dimethylamino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H44 F6 Mn N6 O6 S2 -","- C30 H44 F6 Mn N6 O6 S2 -","- C60 H88 F12 Mn2 N12 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0328","0.0314","","","0.0837","0.0847","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510813","15.433","0.002","29.985","0.005","15.798","0.002","90","","119.094","0.008","90","","6388.2","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C230 H192 Cl50 N16 O16 Pd8 Ru4 S8 -","2","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","0.71073","MoKα","","0.1074","0.0835","","","0.1896","0.2032","","","","","","1.065","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510814","11.5116","0.0005","13.6607","0.0006","39.4718","0.0017","90","","90","","90","","6207.2","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C260 H224 Cl16 N16 O16 Pd8 Ru8 S8 -","4","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","1.54178","CuKα","","0.0354","0.0339","","","0.0855","0.0863","","","","","","1.042","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510942","35.108","0.005","12.2811","0.0007","18.782","0.003","90","","140.71","0.03","90","","5128","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Br N3 Pd -","- C30 H28 Br N3 Pd -","- C240 H224 Br8 N24 Pd8 -","8","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions","ACS Catalysis","2014","4","6","2038","","10.1021/cs5003959","","","0.71073","MoKα","","0.0526","0.038","","","0.0956","0.1048","","","","","","1.066","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511609","14.6916","0.0003","19.3357","0.0003","12.8728","0.0003","90","","111.282","0.001","90","","3407.43","0.12","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C128 H136 Br2.24 Cl1.76 N20 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0201","0.0183","","","0.0445","0.0449","","","","","","1.046","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511610","10.2126","0.0003","12.2383","0.0003","16.6522","0.0004","96.359","0.001","100.516","0.002","101.949","0.001","1977.96","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H37 B F4 N6 O Ru -","- C34 H37 B F4 N6 O Ru -","- C68 H74 B2 F8 N12 O2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0262","0.0229","","","0.0583","0.0597","","","","","","1.039","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511611","21.7318","0.0006","11.4791","0.0003","30.4353","0.0007","90","","107.522","0.001","90","","7240.2","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 Br N6 O2 Ru -","- C35 H41 Br N6 O2 Ru -","- C280 H328 Br8 N48 O16 Ru8 -","8","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0291","0.0253","","","0.0593","0.0607","","","","","","1.103","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511612","13.7607","0.0004","17.3199","0.0005","18.3721","0.0005","90","","108.243","0.002","90","","4158.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Br N6 O Ru -","- C40 H49 Br N6 O Ru -","- C160 H196 Br4 N24 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0888","0.0554","","","0.1457","0.1622","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511613","18.358","0.0009","14.6031","0.0008","14.0683","0.0007","90","","93.583","0.003","90","","3764.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Br N6 O2 Ru -","- C40 H43 Br N6 O2 Ru -","- C160 H172 Br4 N24 O8 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.056","0.0369","","","0.0866","0.0942","","","","","","1.036","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511614","10.6089","0.0003","15.4581","0.0002","18.9255","0.0004","70.365","0.001","88.255","0.001","84.453","0.001","2909.49","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C120 H134 Br1.3 Cl0.7 N14 O2 P2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0356","0.0286","","","0.0672","0.0697","","","","","","1.045","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511615","8.6291","0.0004","15.0143","0.0006","16.9802","0.0007","88.131","0.002","88.041","0.002","86.19","0.002","2192.79","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N2 O3 P Ru -","- C21 H29 N2 O3 P Ru -","- C84 H116 N8 O12 P4 Ru4 -","4","2","","Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water","ACS Catalysis","2014","4","8","2649","","10.1021/cs500937f","","","0.71073","MoKα","","0.0738","0.041","","","0.079","0.0906","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511628","15.784","0.0009","10.3015","0.0005","19.7923","0.0009","90","","90.938","0.004","90","","3217.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N O6 P Pd S -","- C31 H34 N O6 P Pd S -","- C124 H136 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0954","0.0761","","","0.2061","0.2189","","","","","","1.066","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511629","9.5988","0.0005","8.6559","0.0003","29.9833","0.0016","90","","106.094","0.004","90","","2393.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N O5 P Pd S -","- C26 H26 N O5 P Pd S -","- C104 H104 N4 O20 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0463","0.0344","","","0.0852","0.0901","","","","","","1.042","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511630","9.6353","0.0006","10.7338","0.0006","13.7048","0.0008","103.819","0.005","93.508","0.005","106.9","0.004","1303.85","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","1","0.5","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0388","0.0308","","","0.0683","0.0719","","","","","","1.069","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511631","13.7944","0.0007","9.9669","0.0003","22.1792","0.001","90","","120.694","0.003","90","","2622.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N O6 P Pd S -","- C27 H28 N O6 P Pd S -","- C108 H112 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0492","0.0393","","","0.0857","0.0892","","","","","","1.092","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511643","6.384","0.003","11.747","0.005","17.072","0.007","90","","90","","90","","1280.3","1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br F3 O2 -","- C13 H10 Br F3 O2 -","- C52 H40 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0409","","","","0.0977","","","","","","0.771","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511644","8.1604","0.0015","9.5399","0.0018","9.6845","0.0018","90","","109.041","0.008","90","","712.7","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C28 H24 Br2 F6 O4 -","2","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0464","","","","0.117","","","","","","0.911","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511645","6.043","0.0007","7.8416","0.0009","29.273","0.004","90","","90","","90","","1387.2","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br F3 O2 -","- C13 H14 Br F3 O2 -","- C52 H56 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0682","","","","0.1435","","","","","","1.033","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511667","8.2619","0.0019","7.6594","0.0017","12.583","0.003","90","","99.974","0.004","90","","784.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 I N O -","- C19 H12 I N O -","- C38 H24 I2 N2 O2 -","2","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","Pd(II)-Catalyzed Intermolecular Direct C‒H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution","ACS Catalysis","2014","4","8","2741","","10.1021/cs500813z","","","0.71073","MoKα","","0.0266","0.0249","","","0.0625","0.0638","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511670","23.4392","0.0007","12.8809","0.0003","20.9819","0.0006","90","","108.654","0.003","90","","6002","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H70 Cl10 N4 Ru2 -","- C56 H70 Cl10 N4 Ru2 -","- C224 H280 Cl40 N16 Ru8 -","4","0.5","","Gonell, Sergio; Peris, Eduardo","Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines","ACS Catalysis","2014","4","8","2811","","10.1021/cs500735u","","","1.54184","CuKα","","0.0808","0.0635","","","0.1794","0.1913","","","","","","1.069","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511774","11.354","0.004","14.53","0.005","14.976","0.006","90","","90","","90","","2470.6","1.6","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N Ni P2 -","- C22 H42 Cl N Ni P2 -","- C88 H168 Cl4 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0712","0.0578","","","0.1188","0.1314","","","","","","1.035","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511775","18.924","0.003","18.924","0.003","19.322","0.003","90","","90","","90","","6919.6","1.9","98","2","98","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C36 H56 N2 Ni P2 -","- C36 H56 N2 Ni P2 -","- C288 H448 N16 Ni8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0342","0.0332","","","0.0819","0.0825","","","","","","1.025","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511776","18.927","0.003","18.927","0.003","19.275","0.003","90","","90","","90","","6904.9","1.9","98","2","98","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C36 H55 N Ni O P2 -","- C36 H55 N Ni O P2 -","- C288 H440 N8 Ni8 O8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.042","0.039","","","0.0929","0.0953","","","","","","1.014","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511777","14.1636","0.0008","11.3071","0.0005","18.0536","0.0012","90","","90.216","0.006","90","","2891.2","0.3","98","2","98","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H31 N Ni O P2 -","- C36 H31 N Ni O P2 -","- C144 H124 N4 Ni4 O4 P8 -","4","2","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0397","0.0349","","","0.0857","0.0883","","","","","","1.034","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511778","11.218","0.004","17.049","0.006","20.543","0.008","90","","103.831","0.006","90","","3815","2","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 N Ni P2 S -","- C42 H61 N Ni P2 S -","- C168 H244 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0738","0.0585","","","0.1295","0.1434","","","","","","1.018","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511779","10.107","0.004","17.521","0.008","17.023","0.007","90","","90","","90","","3015","2","98","2","98","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H31 N Ni P2 S -","- C36 H31 N Ni P2 S -","- C144 H124 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0563","0.0473","","","0.0963","0.1045","","","","","","1.028","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511780","10.3866","0.0011","18.0201","0.0018","15.5109","0.0015","90","","92.576","0.007","90","","2900.2","0.5","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C120 H187.2 Cl0.8 N4 Ni4 O3.2 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0675","0.0562","","","0.1199","0.126","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511781","10.2239","0.0008","18.5337","0.0015","15.7104","0.0012","90","","91.024","0.001","90","","2976.4","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N Ni P2 S -","- C30 H51 N Ni P2 S -","- C120 H204 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0376","0.0352","","","0.0929","0.095","","","","","","1.004","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511782","12.2559","0.0007","15.9677","0.0009","19.9262","0.001","90","","102.37","0.002","90","","3809","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni(dcpe)2CH3CN2","","","- C32 H57 B2 F8 N3 Ni P2 -","- C32 H57 B2 F8 N3 Ni P2 -","- C128 H228 B8 F32 N12 Ni4 P8 -","4","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0484","0.0388","","","0.0973","0.1031","","","","","","1.032","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511783","10.6454","0.0009","10.5867","0.0009","17.3734","0.0015","90","","90.393","0.005","90","","1957.9","0.3","140","","140","","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ni(PtBu2NtBu2)(CH3CN)2](BF4)2","","- C26 H53 B2 F8 N5 Ni P2 -","- C26 H53 B2 F8 N5 Ni P2 -","- C52 H106 B4 F16 N10 Ni2 P4 -","2","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0849","0.0766","","","0.2093","0.2164","","","","","","1.077","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511784","14.8297","0.0008","11.6379","0.0006","43.244","0.002","90","","92.88","0.002","90","","7453.9","0.7","100","","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","[HNi(PtBu2NPh2)](BF4)","","- C148 H222 B3 F12 N14 Ni3 P12 -","- C148 H222 B3 F12 N14 Ni3 P12 -","- C296 H444 B6 F24 N28 Ni6 P24 -","2","0.5","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0691","0.0405","","","0.0805","0.0903","","","","","","1.011","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511901","15.2261","0.0005","11.1905","0.0004","17.3055","0.0006","90","","90","","90","","2948.64","0.18","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H40 Cl Ir P2 -","- C32 H40 Cl Ir P2 -","- C128 H160 Cl4 Ir4 P8 -","4","1","","Bézier, David; Brookhart, Maurice","Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes","ACS Catalysis","2014","4","10","3411","","10.1021/cs500892p","","","1.54178","CuKα","","0.0163","0.0161","","","0.0372","0.0373","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511978","18.0562","0.0008","14.0451","0.0007","22.0832","0.0009","90","","113.61","0.002","90","","5131.5","0.4","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H74 O P4 Pd2 S4 -","- C46 H74 O P4 Pd2 S4 -","- C184 H296 O4 P16 Pd8 S16 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0462","0.0335","","","0.104","0.1294","","","","","","1.102","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511979","10.2156","0.0003","16.2747","0.0005","26.6821","0.0008","91.603","0.001","90.239","0.002","103.725","0.001","4307.4","0.2","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C150 H276 Cl8 N4 P8 Pd4 S8 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0394","0.031","","","0.0703","0.0752","","","","","","1.061","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511980","10.209","0.0002","11.5382","0.0002","15.259","0.0011","72.37","0.005","89.09","0.006","66.272","0.005","1556.57","0.15","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","2","","Mbofana, Curren T.; Miller, Scott J.","Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives","ACS Catalysis","2014","4","10","3671","","10.1021/cs501117h","","","1.54187","CuKα","","0.041","0.0377","","","0.0991","0.1027","","","","","","1.075","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511995","8.8946","0.0019","9.599","0.002","14.595","0.003","105.46","0.006","94.446","0.006","114.78","0.006","1064.6","0.4","143","","143.15","","","","","","","","","5","P -1","-P 1","2","","[VerkadesH][HCO3]","","- C16 H39 N4 O5 P -","- C16 H39 N4 O5 P -","- C32 H78 N8 O10 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.1368","0.0684","","","0.1579","0.1909","","","","","","1.033","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511996","9.492","0.0008","10.0652","0.0009","11.6878","0.001","72.135","0.002","84.493","0.003","64.509","0.002","958.49","0.14","145","","145","","","","","","","","","5","P -1","-P 1","2","","[VerkaedeH][Formate)","","- C16 H35 N4 O2 P -","- C16 H35 N4 O2 P -","- C32 H70 N8 O4 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.065","0.0448","","","0.1109","0.1222","","","","","","1.021","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4512057","9.64383","0.00015","5.51183","0.00007","14.44803","0.00018","90","","95.6537","0.0013","90","","764.251","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.5418","CuKα","","0.0274","0.0271","","","0.0703","0.0705","","","","","","1.065","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512058","12.0622","0.0003","9.18339","0.00018","13.6306","0.0003","90","","94.3","0.002","90","","1505.64","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C70 H108 O4 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.54184","CuKα","","0.0549","0.0474","","","0.1138","0.1222","","","","","","1.025","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512105","11.7801","0.0007","14.2655","0.0008","17.1787","0.001","88.278","0.001","80.64","0.001","69.608","0.001","2668.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H31 Cl Ir N2 O2 P -","- C44 H31 Cl Ir N2 O2 P -","- C88 H62 Cl2 Ir2 N4 O4 P2 -","2","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0408","0.0351","","","0.1125","0.1172","","","","","","1.068","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512106","9.2237","0.001","23.848","0.003","16.3363","0.0017","90","","103.348","0.002","90","","3496.4","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl Ir N2 O2 P -","- C38 H43 Cl Ir N2 O2 P -","- C152 H172 Cl4 Ir4 N8 O8 P4 -","4","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0834","0.0504","","","0.1067","0.1212","","","","","","1.031","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512210","11.8005","0.0006","12.088","0.0006","18.1433","0.001","101.21","0.002","93.076","0.002","105.213","0.002","2434.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H51 B Cl6 Cu N7 O -","- C46 H51 B Cl6 Cu N7 O -","- C92 H102 B2 Cl12 Cu2 N14 O2 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0634","0.0498","","","0.1445","0.1553","","","","","","1.035","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512211","11.1605","0.0003","13.8447","0.0004","19.6313","0.0004","83.707","0.002","80.497","0.001","79.114","0.002","2928.2","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16.5 H7 B Br9 Cl Cu N7 S -","- C16.5 H7 B Br9 Cl Cu N7 S -","- C66 H28 B4 Br36 Cl4 Cu4 N28 S4 -","4","2","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.074","0.0388","","","0.0653","0.0731","","","","","","1.009","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512212","7.9337","0.0003","8.6976","0.0003","11.8982","0.0005","110.549","0.002","102.752","0.002","93.549","0.003","741.04","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0532","0.0431","","","0.1031","0.1092","","","","","","1.041","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512224","24.481","0.004","13.201","0.002","20.184","0.003","90","","93.847","0.002","90","","6508.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl N4 Rh -","- C34 H46 Cl N4 Rh -","- C272 H368 Cl8 N32 Rh8 -","8","2","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0719","0.0468","","","0.0802","0.0892","","","","","","1.094","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512225","15.579","0.0011","13.803","0.001","18.6728","0.0013","90","","112.173","0.001","90","","3718.4","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cl N5 Rh -","- C39 H51 Cl N5 Rh -","- C156 H204 Cl4 N20 Rh4 -","4","1","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0499","0.0387","","","0.07","0.0748","","","","","","1.077","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512242","10.08","0.002","20.648","0.004","13.183","0.003","90","","107.503","0.003","90","","2616.8","0.9","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N3 O7 S2 -","- C26 H27 N3 O7 S2 -","- C104 H108 N12 O28 S8 -","4","2","","Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi","Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand","ACS Catalysis","2014","4","12","4304","","10.1021/cs501369z","","","0.71075","MoKα","","0.0807","0.0475","","","0.105","0.1308","","","","","","0.963","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512275","5.8543","0.0005","22.954","0.003","8.9509","0.0009","90","","96.206","0.004","90","","1195.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0379","0.0304","","","0.0829","0.1085","","","","","","1.174","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512276","5.8215","0.0003","8.3087","0.0004","33.2148","0.0016","90","","94.567","0.001","90","","1601.47","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0744","0.0486","","","0.1119","0.1252","","","","","","1.017","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512277","12.7973","0.0006","6.1187","0.0002","16.9311","0.0008","90","","101.782","0.002","90","","1297.82","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0563","0.04","","","0.1181","0.1443","","","","","","1.117","","","","has coordinates","179669","2020-10-21","18:00:00",""