Crystallography Open Database
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Searching journal of publication like 'ACS Catalysis' volume of publication is 5
| COD ID: 4512454 | |
| CIF file | Formula: - C17 H26 O4 - Comments: Weiss, Marcel; Peters, René Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant ACS Catalysis 5(1) (2015) 310 Space group: P 1 21/c 1 Cell volume: 3196.7 Cell parameters: 5.4051; 35.529; 16.8799; 90; 99.541; 90; |
| COD ID: 4512455 | |
| CIF file | Formula: - C23 H27 N O - Comments: Weiss, Marcel; Peters, René Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant ACS Catalysis 5(1) (2015) 310 Space group: P 1 21 1 Cell volume: 941.19 Cell parameters: 5.1067; 11.928; 15.558; 90; 96.711; 90; |
| COD ID: 4512456 | |
| CIF file | Formula: - C22 H19 F4 N O4 - Comments: Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M. Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent ACS Catalysis 5(1) (2015) 336 Space group: P 21 21 21 Cell volume: 4032 Cell parameters: 12.878; 15.68; 19.97; 90; 90; 90; |
| COD ID: 4512457 | |
| CIF file | Formula: - C22 H27.5 Cl2 N3.5 Ni O8 P - Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356 Space group: C 1 2/c 1 Cell volume: 5271.1 Cell parameters: 28.443; 8.4569; 22.9631; 90; 107.39; 90; |
| COD ID: 4512458 | |
| CIF file | Formula: - C15 H25 Cl2 N3 Ni O8 S - Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356 Space group: P -1 Cell volume: 1022.76 Cell parameters: 8.7289; 8.7999; 13.9708; 93.47; 106.608; 93.681; |
| COD ID: 4512459 | |
| CIF file | Formula: - C30 H42 Cl4 N6 Ni2 O8 S2 - Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356 Space group: P -1 Cell volume: 1901.6 Cell parameters: 8.0156; 12.2115; 19.7215; 91.373; 99.117; 93.388; |
| COD ID: 4512460 | |
| CIF file | Formula: - C24 H36 Cl2 N3 Ni O9 P - Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356 Space group: P -1 Cell volume: 1514.52 Cell parameters: 9.3883; 13.0308; 13.093; 79.943; 89.364; 73.953; |
| COD ID: 4512489 | |
| CIF file | Formula: - C20 H16 Br Fe N5 - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis 5(1) (2015) 411 Space group: C 1 2/c 1 Cell volume: 3561 Cell parameters: 16.847; 13.0275; 16.3223; 90; 96.25; 90; |
| COD ID: 4512490 | |
| CIF file | Formula: - C25 H24 F3 Fe N5 O4 S - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis 5(1) (2015) 411 Space group: P 1 Cell volume: 1264.06 Cell parameters: 8.4756; 8.8071; 18.6806; 99.732; 90.796; 112.598; |
| COD ID: 4512491 | |
| CIF file | Formula: - C23 H19 F6 Fe N5 O6 S2 - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis 5(1) (2015) 411 Space group: P -1 Cell volume: 1347.8 Cell parameters: 10.7036; 12.1278; 12.2733; 66.351; 73.133; 69.747; |
| COD ID: 4512510 | |
| CIF file | Formula: - C40 H36 Cl2 F3 N3 O7 P Re S - Comments: Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis 5(2) (2015) 511 Space group: P 1 21/n 1 Cell volume: 4043.5 Cell parameters: 12.089; 9.0476; 36.982; 90; 91.534; 90; |
| COD ID: 4512511 | |
| CIF file | Formula: - C55 H46 F3 N2 O7 P2 Re S - Comments: Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis 5(2) (2015) 511 Space group: P 21 21 21 Cell volume: 4894.6 Cell parameters: 11.209; 11.6194; 37.5809; 90; 90; 90; |
| COD ID: 4512512 | |
| CIF file | Formula: - C37 H56 Co N3 Si - Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622 Space group: P 1 21/n 1 Cell volume: 3571.93 Cell parameters: 17.8016; 12.0498; 18.7953; 90; 117.63; 90; |
| COD ID: 4512513 | |
| CIF file | Formula: - C31 H45 Co N2 - Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622 Space group: C 1 2/c 1 Cell volume: 2813.2 Cell parameters: 16.1764; 9.2233; 18.8751; 90; 92.623; 90; |
| COD ID: 4512514 | |
| CIF file | Formula: - C38 H57 Co N2 - Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622 Space group: C 1 2/c 1 Cell volume: 6928 Cell parameters: 38.978; 10.046; 18.259; 90; 104.3; 90; |
| COD ID: 4512515 | |
| CIF file | Formula: - C19 H22 Co N3 Si - Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622 Space group: P 1 21/n 1 Cell volume: 3540 Cell parameters: 11.086; 19.096; 16.774; 90; 94.52; 90; |
| COD ID: 4512516 | |
| CIF file | Formula: - C14 H21 Cl Co N2 Si - Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622 Space group: R -3 :H Cell volume: 7936.3 Cell parameters: 31.103; 31.103; 9.4729; 90; 90; 120; |
| COD ID: 4512529 | |
| CIF file | Formula: - C45 H40 F4 N3 O P Ru - Comments: McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K. Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage ACS Catalysis 5(2) (2015) 776 Space group: P 21 21 21 Cell volume: 3965.5 Cell parameters: 13.869; 16.834; 16.985; 90; 90; 90; |
| COD ID: 4512584 | |
| CIF file | Formula: - C12 H20 Cl N3 Ni - Comments: Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis 5(2) (2015) 1164 Space group: P c a 21 Cell volume: 2736 Cell parameters: 16.1973; 9.2551; 18.251; 90; 90; 90; |
| COD ID: 4512585 | |
| CIF file | Formula: - C20 H25 N3 Ni - Comments: Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis 5(2) (2015) 1164 Space group: P 1 21/n 1 Cell volume: 1814.4 Cell parameters: 9.7694; 14.6639; 12.8939; 90; 100.806; 90; |
| COD ID: 4512586 | |
| CIF file | Formula: - C144 H154 B2 Fe3 O13 P8 - Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254 Space group: P -1 Cell volume: 6558.1 Cell parameters: 14.7034; 15.3502; 30.5317; 81.607; 77.192; 79.041; |
| COD ID: 4512587 | |
| CIF file | Formula: - C42 H44 Fe P4 - Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254 Space group: P -1 Cell volume: 1786.33 Cell parameters: 11.3961; 11.8042; 14.9611; 88.014; 81.462; 63.904; |
| COD ID: 4512588 | |
| CIF file | Formula: - C49 H58 B F4 Fe N P4 - Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254 Space group: P -1 Cell volume: 2325.12 Cell parameters: 11.6311; 12.2422; 18.0737; 104.224; 98.681; 106.392; |
| COD ID: 4512589 | |
| CIF file | Formula: - C66 H63 B Fe P4 - Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254 Space group: P -1 Cell volume: 3113.4 Cell parameters: 12.4918; 13.5351; 19.2058; 92.091; 105.612; 94.273; |
| COD ID: 4512590 | |
| CIF file | Formula: - C103 H117 B4 F16 Fe2 N7 P8 - Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254 Space group: C 1 2/c 1 Cell volume: 10001.7 Cell parameters: 33.6116; 14.8734; 20.7957; 90; 105.833; 90; |
| COD ID: 4512815 | |
| CIF file | Formula: - C58 H58 B2 F8 N2 Ni P4 - Comments: Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis 5(4) (2015) 2116 Space group: P 1 21/n 1 Cell volume: 2709.5 Cell parameters: 9.2602; 20.7179; 14.2353; 90; 97.2; 90; |
| COD ID: 4512816 | |
| CIF file | Formula: - C38 H44 B2 Cl4 F14 N2 Ni O4 P4 - Comments: Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis 5(4) (2015) 2116 Space group: P -1 Cell volume: 2460.92 Cell parameters: 10.3197; 13.2465; 19.7249; 94.91; 101.046; 109.554; |
| COD ID: 4512852 | |
| CIF file | Formula: - C58 H81 F12 Fe2 N9 O18 S4 - Comments: Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P. EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes ACS Catalysis 5(5) (2015) 2702 Space group: P 21 21 21 Cell volume: 14608 Cell parameters: 16.9742; 17.1155; 50.282; 90; 90; 90; |
| COD ID: 4512854 | |
| CIF file | Formula: - C31 H27 F3 N2 O4 S - Comments: Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis 5(4) (2015) 2692 Space group: P -1 Cell volume: 1470.6 Cell parameters: 9.4555; 12.671; 13.141; 89.372; 83.024; 70.301; |
| COD ID: 4512855 | |
| CIF file | Formula: - C45 H31 F3 N2 O3 S - Comments: Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis 5(4) (2015) 2692 Space group: P -1 Cell volume: 1823.39 Cell parameters: 10.6172; 12.7911; 14.6372; 102.793; 106.868; 96.17; |
| COD ID: 4512856 | |
| CIF file | Formula: - C12 H10 N2 Ni S2 - Comments: Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis 5(3) (2015) 1397 Space group: P 1 21/c 1 Cell volume: 583.3 Cell parameters: 12.301; 5.883; 8.098; 90; 95.547; 90; |
| COD ID: 4512857 | |
| CIF file | Formula: - C20 H36 N2 Ni O4 S6 - Comments: Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis 5(3) (2015) 1397 Space group: P -1 Cell volume: 1438.4 Cell parameters: 8.3237; 11.0567; 15.928; 92.197; 99.883; 94.145; |
| COD ID: 4512930 | |
| CIF file | Formula: - C10 H17 N O3 - Comments: Bae, Han Yong; Song, Choong Eui Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes ACS Catalysis 5(6) (2015) 3613 Space group: P 21 21 21 Cell volume: 2223.1 Cell parameters: 9.8502; 13.6853; 16.4912; 90; 90; 90; |
| COD ID: 4512945 | |
| CIF file | Formula: - C36 H52 Br Co N2 O2 - Comments: North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling ACS Catalysis 5(6) (2015) 3398 Space group: P 1 Cell volume: 1723.83 Cell parameters: 10.795; 12.6416; 14.6957; 65.979; 89.9734; 71.994; |
| COD ID: 4512946 | |
| CIF file | Formula: - C16 H12 F3 N O2 - Comments: Albaladejo, María José; Alonso, Francisco; González-Soria, María José Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones ACS Catalysis 5(6) (2015) 3446 Space group: P -1 Cell volume: 723.3 Cell parameters: 8.167; 8.306; 10.825; 91.64; 99.308; 92.741; |
| COD ID: 4512947 | |
| CIF file | Formula: - Bi4 Na20.72 O213.36 W36 Zn8 - Comments: Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis 5(6) (2015) 3336 Space group: P 1 21/n 1 Cell volume: 4893 Cell parameters: 13.234; 17.661; 20.966; 90; 93.12; 90; |
| COD ID: 4512948 | |
| CIF file | Formula: - Bi2 Na4 O98.55 W18 Zn6 - Comments: Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis 5(6) (2015) 3336 Space group: P n n m Cell volume: 4604.8 Cell parameters: 16.187; 19.43; 14.641; 90; 90; 90; |
| COD ID: 4513027 | |
| CIF file | Formula: - C23 H24 Br N O - Comments: Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles ACS Catalysis 5(6) (2015) 3700 Space group: P 21 21 21 Cell volume: 1903.9 Cell parameters: 7.2425; 15.4541; 17.01; 90; 90; 90; |
| COD ID: 4513028 | |
| CIF file | Formula: - C15 H B Br3 F18 N6 Tl - Comments: Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis 5(6) (2015) 3726 Space group: P -1 Cell volume: 1303.49 Cell parameters: 9.4814; 10.765; 13.9827; 111.406; 92.343; 99.301; |
| COD ID: 4513029 | |
| CIF file | Formula: - C17 H4 B Br3 Cu F18 N7 - Comments: Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis 5(6) (2015) 3726 Space group: C 1 2/c 1 Cell volume: 5968.8 Cell parameters: 21.9569; 16.6067; 17.0174; 90; 105.863; 90; |
| COD ID: 4513030 | |
| CIF file | Formula: - C19 H9 Ag B Br3 F18 N6 O - Comments: Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis 5(6) (2015) 3726 Space group: P -1 Cell volume: 1514 Cell parameters: 9.5396; 12.6988; 12.9452; 100.867; 94.371; 98.592; |
| COD ID: 4513043 | |
| CIF file | Formula: - C24 H20 N4 O5 Ru S - Comments: Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G. Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex ACS Catalysis 5(7) (2015) 3966 Space group: P -1 Cell volume: 1187.17 Cell parameters: 8.7507; 10.3497; 14.1618; 79.212; 73.228; 77.234; |
| COD ID: 4513044 | |
| CIF file | Formula: - C45 H57 Cl F N2 O3 P Ru - Comments: Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis 5(7) (2015) 3932 Space group: P -1 Cell volume: 2082.5 Cell parameters: 9.25; 10.543; 21.668; 84.919; 89.766; 81.66; |
| COD ID: 4513045 | |
| CIF file | Formula: - C45 H57 F2 N2 O3 P Ru - Comments: Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis 5(7) (2015) 3932 Space group: P -1 Cell volume: 2062.6 Cell parameters: 9.123; 10.569; 21.751; 94.901; 90.209; 99.166; |
| COD ID: 4513186 | |
| CIF file | Formula: - C49 H47 Cl F6 N2 P2 Ru - Comments: Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis 5(7) (2015) 4143 Space group: P -1 Cell volume: 2078.7 Cell parameters: 11.185; 12.2337; 15.712; 87.763; 85.343; 75.988; |
| COD ID: 4513187 | |
| CIF file | Formula: - C45 H47 Cl F6 N2 P2 Ru - Comments: Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis 5(7) (2015) 4143 Space group: C 1 c 1 Cell volume: 4169.4 Cell parameters: 18.524; 15.304; 14.862; 90; 98.269; 90; |
| COD ID: 4513215 | |
| CIF file | Formula: - C32 H28 B Fe P - Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300 Space group: P 21 21 21 Cell volume: 2519.91 Cell parameters: 7.8373; 11.1807; 28.7574; 90; 90; 90; |
| COD ID: 4513216 | |
| CIF file | Formula: - C20 H25 N - Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300 Space group: P 1 21 1 Cell volume: 3336.61 Cell parameters: 8.4925; 18.0565; 21.7726; 90; 92.034; 90; |
| COD ID: 4513217 | |
| CIF file | Formula: - C18 H21 N - Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300 Space group: P -1 Cell volume: 713.05 Cell parameters: 7.6079; 9.9255; 10.7036; 113.746; 100.964; 95.416; |
| COD ID: 4513218 | |
| CIF file | Formula: - C25 H29 Fe N O - Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300 Space group: P 21 21 21 Cell volume: 2090.14 Cell parameters: 10.843; 12.6988; 15.1797; 90; 90; 90; |
| COD ID: 4513219 | |
| CIF file | Formula: - C43 H38 N O3.5 P Pd S - Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300 Space group: P 41 21 2 Cell volume: 7826.2 Cell parameters: 14.5165; 14.5165; 37.1387; 90; 90; 90; |
| COD ID: 4513383 | |
| CIF file | Formula: - C72 H78 N4 O11 Ti2 - Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673 Space group: P 43 21 2 Cell volume: 6798 Cell parameters: 12.3687; 12.3687; 44.436; 90; 90; 90; |
| COD ID: 4513384 | |
| CIF file | Formula: - C76 H78 N4 O11 Ti2 - Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673 Space group: P 31 2 1 Cell volume: 12900.9 Cell parameters: 19.0457; 19.0457; 41.0671; 90; 90; 120; |
| COD ID: 4513385 | |
| CIF file | Formula: - C65 H61 Cl3 N4 O6 Ti2 - Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673 Space group: P 1 21 1 Cell volume: 2944.4 Cell parameters: 11.5315; 19.176; 13.4627; 90; 98.481; 90; |
| COD ID: 4513386 | |
| CIF file | Formula: - C68 H66 Br4 N4 O7 Ti2 - Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673 Space group: P 43 21 2 Cell volume: 6879.5 Cell parameters: 12.2324; 12.2324; 45.9762; 90; 90; 90; |
| COD ID: 4513387 | |
| CIF file | Formula: - C64 H56 Br4 N4 O6 Ti2 - Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673 Space group: P 1 Cell volume: 3002.56 Cell parameters: 13.8302; 15.4438; 16.7517; 108.353; 90.647; 116.089; |
| COD ID: 4513439 | |
| CIF file | Formula: - C54 H47 N4 O7 - Comments: Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis 5(8) (2015) 4842 Space group: P 21 21 21 Cell volume: 5809.1 Cell parameters: 12.3766; 16.424; 28.578; 90; 90; 90; |
| COD ID: 4513440 | |
| CIF file | Formula: - C22 H22 N2 O3 - Comments: Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis 5(8) (2015) 4842 Space group: P 1 21 1 Cell volume: 895 Cell parameters: 10.202; 7.487; 11.933; 90; 100.922; 90; |
| COD ID: 4513441 | |
| CIF file | Formula: - C22 H16 F3 N O3 S - Comments: Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis 5(8) (2015) 4837 Space group: C 1 2/c 1 Cell volume: 7790.1 Cell parameters: 40.887; 9.2404; 27.6197; 90; 131.709; 90; |
| COD ID: 4513442 | |
| CIF file | Formula: - C21 H16 B F4 N - Comments: Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis 5(8) (2015) 4837 Space group: P 21 21 21 Cell volume: 1717.81 Cell parameters: 6.1068; 15.2343; 18.4646; 90; 90; 90; |
| COD ID: 4513443 | |
| CIF file | Formula: - C21 H16 F6 N Sb - Comments: Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis 5(8) (2015) 4837 Space group: C 1 2/c 1 Cell volume: 3933.7 Cell parameters: 13.0833; 9.1095; 33.015; 90; 91.371; 90; |
| COD ID: 4513454 | |
| CIF file | Formula: - C15 H13 Br N2 - Comments: Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines ACS Catalysis 5(9) (2015) 5026 Space group: P 41 Cell volume: 1383.59 Cell parameters: 15.9607; 15.9607; 5.4313; 90; 90; 90; |
| COD ID: 4513487 | |
| CIF file | Formula: - C38 H46 Au N3 O2 - Comments: Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand ACS Catalysis 5(9) (2015) 5135 Space group: P 1 21/n 1 Cell volume: 7081.8 Cell parameters: 9.1636; 36.3601; 21.4472; 90; 97.684; 90; |
| COD ID: 4513497 | |
| CIF file | Formula: - C39 H14 Cl6 Cu F10 N5 O2 - Comments: Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis 5(9) (2015) 5145 Space group: P -1 Cell volume: 1941.9 Cell parameters: 10.2256; 13.2327; 15.2136; 75.791; 82.911; 77.348; |
| COD ID: 4513498 | |
| CIF file | Formula: - C39 H12 Cl4 Cu F15 N4 - Comments: Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis 5(9) (2015) 5145 Space group: P 1 21/c 1 Cell volume: 3640.78 Cell parameters: 13.6323; 13.187; 21.0645; 90; 105.96; 90; |
| COD ID: 4513610 | |
| CIF file | Formula: - C20 H20 Cl N O4 - Comments: Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis 5(10) (2015) 6016 Space group: P 21 21 21 Cell volume: 1908.2 Cell parameters: 8.1602; 11.357; 20.59; 90; 90; 90; |
| COD ID: 4513611 | |
| CIF file | Formula: - C25 H23 N O3 - Comments: Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis 5(10) (2015) 6016 Space group: P 1 21 1 Cell volume: 1047.1 Cell parameters: 6.0364; 17.033; 10.4225; 90; 102.271; 90; |
| COD ID: 4513656 | |
| CIF file | Formula: - C29 H27 N O6 S - Comments: Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis 5(10) (2015) 6052 Space group: C 1 2 1 Cell volume: 2574.7 Cell parameters: 27.301; 8.7461; 10.8469; 90; 96.239; 90; |
| COD ID: 4513657 | |
| CIF file | Formula: - C29 H27 N O6 S - Comments: Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis 5(10) (2015) 6052 Space group: P 21 21 21 Cell volume: 2666.9 Cell parameters: 12.1813; 12.9222; 16.9425; 90; 90; 90; |
| COD ID: 4513663 | |
| CIF file | Formula: - C32 H42 Ag N2 - Comments: Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis 5(11) (2015) 6732 Space group: C 1 2/c 1 Cell volume: 2940 Cell parameters: 16.043; 6.7774; 27.121; 90; 94.443; 90; |
| COD ID: 4513664 | |
| CIF file | Formula: - C32 H40 Ag F2 N3 O3 - Comments: Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis 5(11) (2015) 6732 Space group: C 1 2/c 1 Cell volume: 11872 Cell parameters: 30.342; 14.1754; 27.882; 90; 98.13; 90; |
| COD ID: 4513677 | |
| CIF file | Formula: - C25 H28 Cr N O4 P - Comments: Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis 5(12) (2015) 7095 Space group: P 21 21 21 Cell volume: 4964.3 Cell parameters: 10.0194; 14.8755; 33.308; 90; 90; 90; |
| COD ID: 4513678 | |
| CIF file | Formula: - C29 H36 Cr N O4 P - Comments: Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis 5(12) (2015) 7095 Space group: P 1 21/n 1 Cell volume: 2822.71 Cell parameters: 11.79138; 14.69577; 16.3394; 90; 94.4771; 90; |
| COD ID: 4513679 | |
| CIF file | Formula: - C32 H38 Cl3 N P2 Pd S - Comments: Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis 5(10) (2015) 5932 Space group: P b c a Cell volume: 6854 Cell parameters: 11.77; 16.605; 35.069; 90; 90; 90; |
| COD ID: 4513680 | |
| CIF file | Formula: - C31 H36 Cl N O P2 Pd - Comments: Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis 5(10) (2015) 5932 Space group: C 1 c 1 Cell volume: 2983.8 Cell parameters: 12.1032; 15.8942; 16.1513; 90; 106.192; 90; |
| COD ID: 4516658 | |
| CIF file | Formula: - C17 H16 O - Comments: Qin, Guiping; Chen, Xiangning; Yang, Lei; Huang, Hanmin Copper-Catalyzed α-Benzylation of Enones via Radical-Triggered Oxidative Coupling of Two C‒H Bonds ACS Catalysis 5(5) (2015) 2882 Space group: P -1 Cell volume: 2697.9 Cell parameters: 10.073; 10.958; 25.373; 100.784; 100.991; 90.485; |
| COD ID: 4516659 | |
| CIF file | Formula: - C15 H19 F3 N4 O7 - Comments: Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam ACS Catalysis 5(5) (2015) 2826 Space group: P 1 21/c 1 Cell volume: 1906.5 Cell parameters: 10.6111; 9.3941; 19.1315; 90; 91.384; 90; |
| COD ID: 4516660 | |
| CIF file | Formula: - C17 H15 Cl F3 N O5 - Comments: Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam ACS Catalysis 5(5) (2015) 2826 Space group: P n a 21 Cell volume: 3504.3 Cell parameters: 15.896; 8.7193; 25.283; 90; 90; 90; |
| COD ID: 4516661 | |
| CIF file | Formula: - C55 H40 Cl3 O3 P3 Si3 - Comments: Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes ACS Catalysis 5(12) (2015) 7254 Space group: P -3 c 1 Cell volume: 5045.3 Cell parameters: 15.5297; 15.5297; 24.1564; 90; 90; 120; |
| COD ID: 4516662 | |
| CIF file | Formula: - C38 H31 Cl N5 P Ru - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P 1 21/c 1 Cell volume: 6374.7 Cell parameters: 33.581; 10.1257; 19.1334; 90; 101.527; 90; |
| COD ID: 4516663 | |
| CIF file | Formula: - C44.5 H38 Cl F6 N5 O6 P Ru S2 - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: C 1 2/c 1 Cell volume: 9283.7 Cell parameters: 31.847; 12.7757; 25.6211; 90; 117.055; 90; |
| COD ID: 4516664 | |
| CIF file | Formula: - C40 H33 F3 N5 O P Ru - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P -1 Cell volume: 1667.97 Cell parameters: 9.4999; 10.3978; 18.4333; 79.884; 84.512; 68.604; |
| COD ID: 4516665 | |
| CIF file | Formula: - C54 H42 Cl N5 P2 Ru - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P 1 21/c 1 Cell volume: 4313.2 Cell parameters: 11.5459; 20.4778; 18.8418; 90; 104.485; 90; |
| COD ID: 4516666 | |
| CIF file | Formula: - C56 H46 Cl N5 P2 Ru - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P -1 Cell volume: 2529 Cell parameters: 11.8598; 13.6537; 16.6403; 89.614; 87.952; 69.915; |
| COD ID: 4516667 | |
| CIF file | Formula: - C60 H54 Cl N5 O3.5 P2 Ru - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P 1 21/c 1 Cell volume: 5056.7 Cell parameters: 23.8181; 11.25; 20.994; 90; 115.986; 90; |
| COD ID: 4516668 | |
| CIF file | Formula: - C57 H49 Cl4 N5 P2 Ru - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P n a 21 Cell volume: 4910.8 Cell parameters: 21.7779; 23.4319; 9.6235; 90; 90; 90; |
| COD ID: 4516669 | |
| CIF file | Formula: - C97 H81 N10 P2 Ru2 - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P -1 Cell volume: 3900.9 Cell parameters: 13.7897; 15.8415; 19.6154; 71.991; 73.73; 81.086; |
| COD ID: 4516670 | |
| CIF file | Formula: - C38 H32 Cl F6 N5 P2 Ru - Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis 5(9) (2015) 5468 Space group: P -1 Cell volume: 1751.2 Cell parameters: 9.0716; 12.721; 15.6504; 93.195; 103.235; 93.102; |
| COD ID: 4516671 | |
| CIF file | Formula: - C34 H25 B Cu F4 N4 O3 P - Comments: Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions ACS Catalysis 5(9) (2015) 5186 Space group: P 1 21/n 1 Cell volume: 3087.32 Cell parameters: 12.5021; 13.6073; 19.1227; 90; 108.373; 90; |
| COD ID: 4516672 | |
| CIF file | Formula: - C42 H28 Cl10 N4 O6 P2 Pd2 - Comments: Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions ACS Catalysis 5(9) (2015) 5186 Space group: P -1 Cell volume: 1207.7 Cell parameters: 10.5194; 11.305; 12.8486; 64.026; 86.154; 63.035; |
| COD ID: 4516673 | |
| CIF file | Formula: - C47 H35 B Cl2 Cu F4 N4 O3 P - Comments: Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions ACS Catalysis 5(9) (2015) 5186 Space group: P b c n Cell volume: 8554.4 Cell parameters: 30.0446; 11.56203; 24.6258; 90; 90; 90; |
| COD ID: 4516674 | |
| CIF file | Formula: - C44 H56 Fe Li N2 O Si2 - Comments: Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis 5(10) (2015) 6230 Space group: P 1 21/n 1 Cell volume: 4082.3 Cell parameters: 11.3913; 26.6073; 13.8664; 90; 103.752; 90; |
| COD ID: 4516675 | |
| CIF file | Formula: - C35 H33 Fe N2 O3 P - Comments: Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis 5(10) (2015) 6230 Space group: P 1 21/c 1 Cell volume: 2900.6 Cell parameters: 14.14; 13.3999; 16.5218; 90; 112.094; 90; |
| COD ID: 4516676 | |
| CIF file | Formula: - C56 H53 Fe N2 P - Comments: Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis 5(10) (2015) 6230 Space group: P 1 21/c 1 Cell volume: 4193.4 Cell parameters: 16.7305; 14.4122; 17.4229; 90; 93.471; 90; |
| COD ID: 4516677 | |
| CIF file | Formula: - C38 H33 Fe N5 - Comments: Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis 5(10) (2015) 6230 Space group: P n a 21 Cell volume: 3056.9 Cell parameters: 16.9958; 10.2025; 17.6294; 90; 90; 90; |
| COD ID: 4516678 | |
| CIF file | Formula: - C368 H416 F24 Fe8 N16 Na4 O28.7 P4 - Comments: Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis 5(10) (2015) 6230 Space group: P 4/m n c Cell volume: 8117.3 Cell parameters: 17.2377; 17.2377; 27.3182; 90; 90; 90; |
| COD ID: 4516679 | |
| CIF file | Formula: - C32 H24 Cl2 Fe N2 - Comments: Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis 5(10) (2015) 6230 Space group: P 1 21/c 1 Cell volume: 2613.55 Cell parameters: 19.5314; 9.7274; 13.93; 90; 99.058; 90; |
| COD ID: 4516680 | |
| CIF file | Formula: - C46 H64 Fe N2 O4 Ti - Comments: Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K. Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide ACS Catalysis 5(10) (2015) 6057 Space group: P 21 21 21 Cell volume: 4393.3 Cell parameters: 10.8375; 14.8073; 27.377; 90; 90; 90; |
| COD ID: 4516681 | |
| CIF file | Formula: - C20 H18 F4 - Comments: Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji Nickel-Catalyzed Allylic C(sp3)‒F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes ACS Catalysis 5(10) (2015) 5947 Space group: P 1 21/a 1 Cell volume: 1612.3 Cell parameters: 6.1162; 15.02; 17.666; 90; 96.537; 90; |
| COD ID: 4516682 | |
| CIF file | Formula: - C35 H30 Cl2 N2 O4 S - Comments: Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis 5(11) (2015) 6608 Space group: P 1 21 1 Cell volume: 1602.1 Cell parameters: 10.9711; 7.3155; 19.9974; 90; 93.418; 90; |
| COD ID: 4516683 | |
| CIF file | Formula: - C20 H22 N2 O3 S - Comments: Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis 5(11) (2015) 6608 Space group: P 1 21/c 1 Cell volume: 1854.2 Cell parameters: 7.7705; 22.437; 11.0377; 90; 105.525; 90; |
| COD ID: 4516684 | |
| CIF file | Formula: - C35 H28 Cl2 N2 O4 S - Comments: Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis 5(11) (2015) 6608 Space group: P -1 Cell volume: 3148.1 Cell parameters: 11.9029; 15.3015; 19.0001; 85.692; 79.538; 67.684; |
| COD ID: 4516685 | |
| CIF file | Formula: - C24 H26 N2 O4 S - Comments: Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis 5(11) (2015) 6608 Space group: P -1 Cell volume: 1144.9 Cell parameters: 9.3454; 9.7516; 14.35; 92.675; 101.306; 115.481; |
| COD ID: 4516686 | |
| CIF file | Formula: - C34 H28 Cl2 N2 O4 S - Comments: Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis 5(11) (2015) 6608 Space group: P 21 21 21 Cell volume: 3102.4 Cell parameters: 10.3652; 10.371; 28.86; 90; 90; 90; |
| COD ID: 4516687 | |
| CIF file | Formula: - C25 H23 N O5 S - Comments: Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters ACS Catalysis 5(11) (2015) 6524 Space group: P 21 21 21 Cell volume: 2355.62 Cell parameters: 8.8035; 14.912; 17.9438; 90; 90; 90; |
| COD ID: 4516688 | |
| CIF file | Formula: - C66 H68 N4 Pd2 S4 - Comments: Degtyareva, Evgeniya S.; Burykina, Julia V.; Fakhrutdinov, Artem N.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd-NHC Catalytic System for the Efficient Atom-Economic Synthesis of Vinyl Sulfides from Tertiary, Secondary, or Primary Thiols ACS Catalysis 5(12) (2015) 7208 Space group: P 1 21/n 1 Cell volume: 2987.1 Cell parameters: 15.6832; 11.3541; 16.787; 90; 92.189; 90; |
| COD ID: 4516689 | |
| CIF file | Formula: - C22 H15 P S - Comments: Unoh, Yuto; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro Rhodium(III)-Catalyzed Direct Coupling of Arylphosphine Derivatives with Heterobicyclic Alkenes: A Concise Route to Biarylphosphines and Dibenzophosphole Derivatives ACS Catalysis 5(11) (2015) 6634 Space group: P n a 21 Cell volume: 1739.6 Cell parameters: 8.233; 13.912; 15.188; 90; 90; 90; |
| COD ID: 4516690 | |
| CIF file | Formula: - C24 H32 F3 I O3 S - Comments: Berzina, Beatrise; Sokolovs, Igors; Suna, Edgars Copper-Catalyzed para-Selective C‒H Amination of Electron-Rich Arenes ACS Catalysis 5(11) (2015) 7008 Space group: P 1 21/c 1 Cell volume: 2592.91 Cell parameters: 9.6451; 25.6279; 10.7472; 90; 102.565; 90; |
| COD ID: 4516691 | |
| CIF file | Formula: - C50 H32 B F24 N3 Ni O2 - Comments: Escobar, Manuel A.; Trofymchuk, Oleksandra S.; Rodriguez, Barbara E.; Lopez-Lira, Claudia; Tapia, Ricardo; Daniliuc, Constantin; Berke, Heinz; Nachtigall, Fabiane M.; Santos, Leonardo S.; Rojas, Rene S. Lewis Acid Enhanced Ethene Dimerization and Alkene Isomerization—ESI-MS Identification of the Catalytically Active Pyridyldimethoxybenzimidazole Nickel(II) Hydride Species ACS Catalysis 5(12) (2015) 7338 Space group: P -1 Cell volume: 2528.57 Cell parameters: 11.4773; 13.0681; 18.2775; 70.951; 80.767; 78.887; |
| COD ID: 4516692 | |
| CIF file | Formula: - C124 H186 F24 Ir4 N12 O25 S8 - Comments: Kim, Hyunwoo; Chang, Sukbok Iridium-Catalyzed Direct C‒H Amination with Alkylamines: Facile Oxidative Insertion of Amino Group into Iridacycle ACS Catalysis 5(11) (2015) 6665 Space group: P 1 21/c 1 Cell volume: 4213.7 Cell parameters: 11.1326; 28.0168; 13.6059; 90; 96.8149; 90; |
| COD ID: 4516693 | |
| CIF file | Formula: - C26 H24 N2 O3 - Comments: Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst ACS Catalysis 5(12) (2015) 7432 Space group: P 1 21 1 Cell volume: 1091.09 Cell parameters: 9.4911; 9.8015; 12.0673; 90; 103.604; 90; |
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