Information card for entry 4125620

Structure parameters

• Formula: C35.38 H33.77 Cl0.77 Co F6 N2 O6 P2 S2
• Calculated formula: C35.386 H33.772 Cl0.772 Co F6 N2 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: 9.1042 ± 0.0003 Å
• b: 10.6408 ± 0.0003 Å
• c: 20.646 ± 0.0006 Å
• α: 100.465 ± 0.002°
• β: 94.427 ± 0.002°
• γ: 94.263 ± 0.002°
• Cell volume: 1952.98 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No