Information card for entry 4125619

Structure parameters

• Formula: C39 H40 Co F6 N3 O6 P2 S2
• Calculated formula: C39 H40 Co F6 N3 O6 P2 S2
• Title of publication: Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.
• Authors of publication: Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 10
• Pages of publication: 3685 - 3696
• a: 35.56 ± 0.003 Å
• b: 11.5161 ± 0.0008 Å
• c: 21.158 ± 0.003 Å
• α: 90°
• β: 102.477 ± 0.009°
• γ: 90°
• Cell volume: 8459.8 ± 1.5 ų
• Cell temperature: 298.6 K
• Ambient diffraction temperature: 298.6 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No