Crystallography Open Database

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Searching journal of publication like 'ACS Catalysis' volume of publication is 4

COD ID: 4509833
CIF file Formula: - C22 H24 N2 O6 -
Comments: 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 4(2) (2014) 634-638
Space group: P 65
Cell volume: 3092.76
Cell parameters: 9.8241; 9.8241; 37.0024; 90; 90; 120;  

COD ID: 4509834
CIF file Formula: - C34 H30 Cl N O4 S -
Comments: 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 4(2) (2014) 600
Space group: P 1 21/c 1
Cell volume: 2851.5
Cell parameters: 13.489; 19.154; 12.366; 90; 116.81; 90;  

COD ID: 4509835
CIF file Formula: - C15.5 H19 I Ir N O2 -
Comments: 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 4(1) (2014) 152
Space group: P 1 21/c 1
Cell volume: 3482.2
Cell parameters: 9.0412; 31.3975; 12.3426; 90; 96.356; 90;  

COD ID: 4509836
CIF file Formula: - C14 H23 Cl Ir N O2 -
Comments: 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 4(1) (2014) 152
Space group: P -1
Cell volume: 1657.2
Cell parameters: 9.1576; 11.2916; 16.2687; 99.653; 91.159; 91.704;  

COD ID: 4509837
CIF file Formula: - C42 H63 F9 Ir3 N3 O16 S3 -
Comments: 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 4(1) (2014) 152
Space group: P 21 21 21
Cell volume: 5637.3
Cell parameters: 12.8738; 16.382; 26.73; 90; 90; 90;  

COD ID: 4509838
CIF file Formula: - C15 H22 F3 Ir N2 O5 S -
Comments: 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 4(1) (2014) 152
Space group: C 1 2/c 1
Cell volume: 4138.1
Cell parameters: 26.456; 8.5874; 21.4517; 90; 121.888; 90;  

COD ID: 4509839
CIF file Formula: - C14 H26 Cl Ir N2 O2 -
Comments: 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 4(1) (2014) 152
Space group: P -1
Cell volume: 819.37
Cell parameters: 8.9727; 10.0097; 10.1814; 75.441; 78.89; 68.698;  

COD ID: 4509840
CIF file Formula: - C10.5 H26 Cl2 Ir N3 O0.5 -
Comments: 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 4(1) (2014) 152
Space group: P 1 21/c 1
Cell volume: 3318.8
Cell parameters: 10.3281; 13.3359; 24.1586; 90; 94.1269; 90;  

COD ID: 4509841
CIF file Formula: - C6 H13 N O2 -
Comments: 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 4(1) (2014) 152
Space group: P 1 21/n 1
Cell volume: 728.5
Cell parameters: 8.3622; 9.0389; 9.9889; 90; 105.24; 90;  

COD ID: 4509842
CIF file Formula: - C42 H34 Cl6 O6 P2 Ru -
Comments: 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 4(1) (2014) 311
Space group: P -1
Cell volume: 2180
Cell parameters: 9.915; 11.919; 20.194; 97.563; 91.49; 112.378;  

COD ID: 4509843
CIF file Formula: - C76 H64 Na O30 P3 Ru6 -
Comments: 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 4(1) (2014) 311
Space group: P -1
Cell volume: 4111.9
Cell parameters: 16.3958; 17.5531; 17.6055; 101.46; 113.756; 107.585;  

COD ID: 4509844
CIF file Formula: - C42.2 H34 Cl0.3 O2.71 P2 Ru -
Comments: 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 4(1) (2014) 311
Space group: P 1 21/c 1
Cell volume: 3918.6
Cell parameters: 17.7301; 12.3659; 18.3431; 90; 102.999; 90;  

COD ID: 4509845
CIF file Formula: - C39 H32 O6 P2 Ru -
Comments: 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 4(1) (2014) 311
Space group: P b c n
Cell volume: 3250.4
Cell parameters: 19.0814; 10.8848; 15.6495; 90; 90; 90;  

COD ID: 4509846
CIF file Formula: - C42 H32 O8 P2 Ru2 -
Comments: 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 4(1) (2014) 311
Space group: P 1 21/n 1
Cell volume: 3829.6
Cell parameters: 13.2898; 19.8988; 14.5203; 90; 94.197; 90;  

COD ID: 4509847
CIF file Formula: - C19 H22 Cl F N2 O -
Comments: 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 4(1) (2014) 49
Space group: P -1
Cell volume: 874.7
Cell parameters: 9.508; 9.679; 10.314; 82.54; 74.65; 73.17;  

COD ID: 4510029
CIF file Formula: - C19 H44 B2 F8 Ir N4 O2 P3 -
Comments: 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 4(3) (2014) 973
Space group: P 21 21 21
Cell volume: 3205.5
Cell parameters: 12.4567; 14.2413; 18.0693; 90; 90; 90;  

COD ID: 4510030
CIF file Formula: - C15 H21 B Cl F4 Ir N4 -
Comments: 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 4(3) (2014) 973
Space group: P 1 21 1
Cell volume: 916.05
Cell parameters: 8.4218; 10.3619; 10.7421; 90; 102.256; 90;  

COD ID: 4510031
CIF file Formula: - C36 H63 B Cl F4 Ir N4 O -
Comments: 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 4(3) (2014) 973
Space group: P 1 21/c 1
Cell volume: 3974.9
Cell parameters: 13.9451; 22.7483; 13.5566; 90; 112.44; 90;  

COD ID: 4510032
CIF file Formula: - C27 H53 B2 F8 Ir N4 O3 P2 -
Comments: 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 4(3) (2014) 973
Space group: P 21 21 21
Cell volume: 3600.7
Cell parameters: 10.2065; 11.645; 30.295; 90; 90; 90;  

COD ID: 4510033
CIF file Formula: - C24 H44 B2 F8 Ir N4 O P -
Comments: 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 4(3) (2014) 973
Space group: P 1 21/c 1
Cell volume: 3039.9
Cell parameters: 10.6139; 10.4084; 27.7107; 90; 96.783; 90;  

COD ID: 4510034
CIF file Formula: - C20 H45 B2 F8 Ir N4 P4 -
Comments: 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 4(3) (2014) 973
Space group: P 1 21/c 1
Cell volume: 3231.9
Cell parameters: 15.4119; 10.641; 20.2231; 90; 102.973; 90;  

COD ID: 4510035
CIF file Formula: - C28 H36 N Ni O P -
Comments: 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 4(3) (2014) 999
Space group: P 1 21/c 1
Cell volume: 2489.28
Cell parameters: 10.6892; 27.0455; 9.0785; 90; 108.475; 90;  

COD ID: 4510036
CIF file Formula: - C53 H52 N2 Ni O6 S2 -
Comments: 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 4(3) (2014) 999
Space group: C 1 c 1
Cell volume: 4617.4
Cell parameters: 16.4657; 18.901; 16.0566; 90; 112.481; 90;  

COD ID: 4510037
CIF file Formula: - C22 H32 N Ni O3 P S -
Comments: 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 4(3) (2014) 999
Space group: P -1
Cell volume: 1131.76
Cell parameters: 10.1443; 10.6795; 11.1867; 89.583; 69.987; 83.908;  

COD ID: 4510383
CIF file Formula: - C19 H17 O4 P -
Comments: 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 4(5) (2014) 1390
Space group: P 1 21 1
Cell volume: 867.92
Cell parameters: 8.8426; 7.5945; 12.9242; 90; 90.186; 90;  

COD ID: 4510384
CIF file Formula: - C29 H21 O2 P -
Comments: 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 4(5) (2014) 1390
Space group: P 21 21 21
Cell volume: 4599.69
Cell parameters: 10.228; 20.6215; 21.8081; 90; 90; 90;  

COD ID: 4510477
CIF file Formula: - C36 H39 F6 Mn N4 O6.5 S2 -
Comments: 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 4(5) (2014) 1599
Space group: P 1 21 1
Cell volume: 3910.44
Cell parameters: 10.6617; 24.3076; 15.0889; 90; 90.1235; 90;  

COD ID: 4510478
CIF file Formula: - C30 H30 F6 Mn N4 O6 S2 -
Comments: 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 4(5) (2014) 1599
Space group: P 1 21 1
Cell volume: 1651.25
Cell parameters: 9.6677; 15.7748; 11.2312; 90; 105.41; 90;  

COD ID: 4510479
CIF file Formula: - C28 H38 F6 Mn N4 O8 S2 -
Comments: 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 4(5) (2014) 1599
Space group: P 21 21 2
Cell volume: 3347.3
Cell parameters: 17.4006; 17.4254; 11.0395; 90; 90; 90;  

COD ID: 4510480
CIF file Formula: - C26 H36 F6 Mn N6 O6 S2 -
Comments: 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 4(5) (2014) 1599
Space group: I 2 3
Cell volume: 34210
Cell parameters: 32.4626; 32.4626; 32.4626; 90; 90; 90;  

COD ID: 4510481
CIF file Formula: - C30 H44 F6 Mn N6 O6 S2 -
Comments: 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 4(5) (2014) 1599
Space group: P 1 21 1
Cell volume: 1775.26
Cell parameters: 8.6096; 19.9107; 11.0566; 90; 110.506; 90;  

COD ID: 4510813
CIF file Formula: - C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -
Comments: 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 4(6) (2014) 1850
Space group: P 1 21 1
Cell volume: 6388.2
Cell parameters: 15.433; 29.985; 15.798; 90; 119.094; 90;  

COD ID: 4510814
CIF file Formula: - C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -
Comments: 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 4(6) (2014) 1850
Space group: P 21 21 21
Cell volume: 6207.2
Cell parameters: 11.5116; 13.6607; 39.4718; 90; 90; 90;  

COD ID: 4510942
CIF file Formula: - C30 H28 Br N3 Pd -
Comments: Sabater, Sara; Mata, Jose A.; Peris, Eduardo Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions ACS Catalysis 4(6) (2014) 2038
Space group: C 1 2/c 1
Cell volume: 5128
Cell parameters: 35.108; 12.2811; 18.782; 90; 140.71; 90;  

COD ID: 4511609
CIF file Formula: - C32 H34 Br0.56 Cl0.44 N5 O Ru -
Comments: 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 4(8) (2014) 2667
Space group: C 1 c 1
Cell volume: 3407.43
Cell parameters: 14.6916; 19.3357; 12.8728; 90; 111.282; 90;  

COD ID: 4511610
CIF file Formula: - C34 H37 B F4 N6 O Ru -
Comments: 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 4(8) (2014) 2667
Space group: P -1
Cell volume: 1977.96
Cell parameters: 10.2126; 12.2383; 16.6522; 96.359; 100.516; 101.949;  

COD ID: 4511611
CIF file Formula: - C35 H41 Br N6 O2 Ru -
Comments: 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 4(8) (2014) 2667
Space group: C 1 2/c 1
Cell volume: 7240.2
Cell parameters: 21.7318; 11.4791; 30.4353; 90; 107.522; 90;  

COD ID: 4511612
CIF file Formula: - C40 H49 Br N6 O Ru -
Comments: 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 4(8) (2014) 2667
Space group: P 1 21/n 1
Cell volume: 4158.6
Cell parameters: 13.7607; 17.3199; 18.3721; 90; 108.243; 90;  

COD ID: 4511613
CIF file Formula: - C40 H43 Br N6 O2 Ru -
Comments: 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 4(8) (2014) 2667
Space group: P 1 21/c 1
Cell volume: 3764.1
Cell parameters: 18.358; 14.6031; 14.0683; 90; 93.583; 90;  

COD ID: 4511614
CIF file Formula: - C60 H67 Br0.65 Cl0.35 N7 O P Ru -
Comments: 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 4(8) (2014) 2667
Space group: P -1
Cell volume: 2909.49
Cell parameters: 10.6089; 15.4581; 18.9255; 70.365; 88.255; 84.453;  

COD ID: 4511615
CIF file Formula: - C21 H29 N2 O3 P Ru -
Comments: Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water ACS Catalysis 4(8) (2014) 2649
Space group: P -1
Cell volume: 2192.79
Cell parameters: 8.6291; 15.0143; 16.9802; 88.131; 88.041; 86.19;  

COD ID: 4511628
CIF file Formula: - C31 H34 N O6 P Pd S -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P 1 21/c 1
Cell volume: 3217.8
Cell parameters: 15.784; 10.3015; 19.7923; 90; 90.938; 90;  

COD ID: 4511629
CIF file Formula: - C26 H26 N O5 P Pd S -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P 1 21/c 1
Cell volume: 2393.6
Cell parameters: 9.5988; 8.6559; 29.9833; 90; 106.094; 90;  

COD ID: 4511630
CIF file Formula: - C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P -1
Cell volume: 1303.85
Cell parameters: 9.6353; 10.7338; 13.7048; 103.819; 93.508; 106.9;  

COD ID: 4511631
CIF file Formula: - C27 H28 N O6 P Pd S -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P 1 21/c 1
Cell volume: 2622.2
Cell parameters: 13.7944; 9.9669; 22.1792; 90; 120.694; 90;  

COD ID: 4511643
CIF file Formula: - C13 H10 Br F3 O2 -
Comments: 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 4(8) (2014) 2696
Space group: P 21 21 21
Cell volume: 1280.3
Cell parameters: 6.384; 11.747; 17.072; 90; 90; 90;  

COD ID: 4511644
CIF file Formula: - C14 H12 Br F3 O2 -
Comments: 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 4(8) (2014) 2696
Space group: P 1 21 1
Cell volume: 712.7
Cell parameters: 8.1604; 9.5399; 9.6845; 90; 109.041; 90;  

COD ID: 4511645
CIF file Formula: - C13 H14 Br F3 O2 -
Comments: 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 4(8) (2014) 2696
Space group: P 21 21 21
Cell volume: 1387.2
Cell parameters: 6.043; 7.8416; 29.273; 90; 90; 90;  

COD ID: 4511667
CIF file Formula: - C19 H12 I N O -
Comments: 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 4(8) (2014) 2741
Space group: P 1 21 1
Cell volume: 784.2
Cell parameters: 8.2619; 7.6594; 12.583; 90; 99.974; 90;  

COD ID: 4511670
CIF file Formula: - C56 H70 Cl10 N4 Ru2 -
Comments: 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 4(8) (2014) 2811
Space group: C 1 2/c 1
Cell volume: 6002
Cell parameters: 23.4392; 12.8809; 20.9819; 90; 108.654; 90;  

COD ID: 4511774
CIF file Formula: - C22 H42 Cl N Ni P2 -
Comments: 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 4(9) (2014) 2941
Space group: P 21 21 21
Cell volume: 2470.6
Cell parameters: 11.354; 14.53; 14.976; 90; 90; 90;  

COD ID: 4511775
CIF file Formula: - C36 H56 N2 Ni P2 -
Comments: 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 4(9) (2014) 2941
Space group: P 42 b c
Cell volume: 6919.6
Cell parameters: 18.924; 18.924; 19.322; 90; 90; 90;  

COD ID: 4511776
CIF file Formula: - C36 H55 N Ni O P2 -
Comments: 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 4(9) (2014) 2941
Space group: P 42 b c
Cell volume: 6904.9
Cell parameters: 18.927; 18.927; 19.275; 90; 90; 90;  

COD ID: 4511777
CIF file Formula: - C36 H31 N Ni O P2 -
Comments: 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 4(9) (2014) 2941
Space group: P 1 n 1
Cell volume: 2891.2
Cell parameters: 14.1636; 11.3071; 18.0536; 90; 90.216; 90;  

COD ID: 4511778
CIF file Formula: - C42 H61 N Ni P2 S -
Comments: 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 4(9) (2014) 2941
Space group: P 1 21/n 1
Cell volume: 3815
Cell parameters: 11.218; 17.049; 20.543; 90; 103.831; 90;  

COD ID: 4511779
CIF file Formula: - C36 H31 N Ni P2 S -
Comments: 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 4(9) (2014) 2941
Space group: P c a 21
Cell volume: 3015
Cell parameters: 10.107; 17.521; 17.023; 90; 90; 90;  

COD ID: 4511780
CIF file Formula: - C30 H46.8 Cl0.2 N Ni O0.8 P2 -
Comments: 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 4(9) (2014) 2941
Space group: P 1 21/c 1
Cell volume: 2900.2
Cell parameters: 10.3866; 18.0201; 15.5109; 90; 92.576; 90;  

COD ID: 4511781
CIF file Formula: - C30 H51 N Ni P2 S -
Comments: 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 4(9) (2014) 2941
Space group: P 1 21/c 1
Cell volume: 2976.4
Cell parameters: 10.2239; 18.5337; 15.7104; 90; 91.024; 90;  

COD ID: 4511782
CIF file Formula: - C32 H57 B2 F8 N3 Ni P2 -
Comments: 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 4(9) (2014) 2951
Space group: P 1 21/c 1
Cell volume: 3809
Cell parameters: 12.2559; 15.9677; 19.9262; 90; 102.37; 90;  

COD ID: 4511783
CIF file Formula: - C26 H53 B2 F8 N5 Ni P2 -
Comments: 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 4(9) (2014) 2951
Space group: P 1 21 1
Cell volume: 1957.9
Cell parameters: 10.6454; 10.5867; 17.3734; 90; 90.393; 90;  

COD ID: 4511784
CIF file Formula: - C148 H222 B3 F12 N14 Ni3 P12 -
Comments: 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 4(9) (2014) 2951
Space group: P 1 2/n 1
Cell volume: 7453.9
Cell parameters: 14.8297; 11.6379; 43.244; 90; 92.88; 90;  

COD ID: 4511901
CIF file Formula: - C32 H40 Cl Ir P2 -
Comments: Bézier, David; Brookhart, Maurice Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes ACS Catalysis 4(10) (2014) 3411
Space group: P n a 21
Cell volume: 2948.64
Cell parameters: 15.2261; 11.1905; 17.3055; 90; 90; 90;  

COD ID: 4511978
CIF file Formula: - C46 H74 O P4 Pd2 S4 -
Comments: 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 4(10) (2014) 3605
Space group: P 1 21/c 1
Cell volume: 5131.5
Cell parameters: 18.0562; 14.0451; 22.0832; 90; 113.61; 90;  

COD ID: 4511979
CIF file Formula: - C75 H138 Cl4 N2 P4 Pd2 S4 -
Comments: 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 4(10) (2014) 3605
Space group: P -1
Cell volume: 4307.4
Cell parameters: 10.2156; 16.2747; 26.6821; 91.603; 90.239; 103.725;  

COD ID: 4511980
CIF file Formula: - C18 H16 O6 -
Comments: Mbofana, Curren T.; Miller, Scott J. Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives ACS Catalysis 4(10) (2014) 3671
Space group: P -1
Cell volume: 1556.57
Cell parameters: 10.209; 11.5382; 15.259; 72.37; 89.09; 66.272;  

COD ID: 4511995
CIF file Formula: - C16 H39 N4 O5 P -
Comments: 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 4(10) (2014) 3755
Space group: P -1
Cell volume: 1064.6
Cell parameters: 8.8946; 9.599; 14.595; 105.46; 94.446; 114.78;  

COD ID: 4511996
CIF file Formula: - C16 H35 N4 O2 P -
Comments: 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 4(10) (2014) 3755
Space group: P -1
Cell volume: 958.49
Cell parameters: 9.492; 10.0652; 11.6878; 72.135; 84.493; 64.509;  

COD ID: 4512057
CIF file Formula: - C16 H22 O6 -
Comments: 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 4(11) (2014) 3881
Space group: P 1 21 1
Cell volume: 764.251
Cell parameters: 9.64383; 5.51183; 14.44803; 90; 95.6537; 90;  

COD ID: 4512058
CIF file Formula: - C35 H54 O2 -
Comments: 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 4(11) (2014) 3881
Space group: P 1 21 1
Cell volume: 1505.64
Cell parameters: 12.0622; 9.18339; 13.6306; 90; 94.3; 90;  

COD ID: 4512105
CIF file Formula: - C44 H31 Cl Ir N2 O2 P -
Comments: 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 4(11) (2014) 3910
Space group: P -1
Cell volume: 2668.8
Cell parameters: 11.7801; 14.2655; 17.1787; 88.278; 80.64; 69.608;  

COD ID: 4512106
CIF file Formula: - C38 H43 Cl Ir N2 O2 P -
Comments: 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 4(11) (2014) 3910
Space group: P 1 21/c 1
Cell volume: 3496.4
Cell parameters: 9.2237; 23.848; 16.3363; 90; 103.348; 90;  

COD ID: 4512210
CIF file Formula: - C46 H51 B Cl6 Cu N7 O -
Comments: 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 4(11) (2014) 4215
Space group: P -1
Cell volume: 2434.7
Cell parameters: 11.8005; 12.088; 18.1433; 101.21; 93.076; 105.213;  

COD ID: 4512211
CIF file Formula: - C16.5 H7 B Br9 Cl Cu N7 S -
Comments: 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 4(11) (2014) 4215
Space group: P -1
Cell volume: 2928.2
Cell parameters: 11.1605; 13.8447; 19.6313; 83.707; 80.497; 79.114;  

COD ID: 4512212
CIF file Formula: - C17 H17 N O4 -
Comments: 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 4(11) (2014) 4215
Space group: P -1
Cell volume: 741.04
Cell parameters: 7.9337; 8.6976; 11.8982; 110.549; 102.752; 93.549;  

COD ID: 4512224
CIF file Formula: - C34 H46 Cl N4 Rh -
Comments: 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 4(12) (2014) 4244
Space group: P 1 21/c 1
Cell volume: 6508.2
Cell parameters: 24.481; 13.201; 20.184; 90; 93.847; 90;  

COD ID: 4512225
CIF file Formula: - C39 H51 Cl N5 Rh -
Comments: 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 4(12) (2014) 4244
Space group: P 1 21/n 1
Cell volume: 3718.4
Cell parameters: 15.579; 13.803; 18.6728; 90; 112.173; 90;  

COD ID: 4512242
CIF file Formula: - C26 H26 N3 O7 S2 -
Comments: 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 4(12) (2014) 4304
Space group: P 1 21 1
Cell volume: 2616.8
Cell parameters: 10.08; 20.648; 13.183; 90; 107.503; 90;  

COD ID: 4512275
CIF file Formula: - C15 H11 Cl O -
Comments: Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis 4(12) (2014) 4485
Space group: P 1 21/c 1
Cell volume: 1195.8
Cell parameters: 5.8543; 22.954; 8.9509; 90; 96.206; 90;  

COD ID: 4512276
CIF file Formula: - C22 H18 O -
Comments: Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis 4(12) (2014) 4485
Space group: P 1 21/n 1
Cell volume: 1601.47
Cell parameters: 5.8215; 8.3087; 33.2148; 90; 94.567; 90;  

COD ID: 4512277
CIF file Formula: - C17 H16 O -
Comments: Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis 4(12) (2014) 4485
Space group: P 1 21/c 1
Cell volume: 1297.82
Cell parameters: 12.7973; 6.1187; 16.9311; 90; 101.782; 90;  


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