Information card for entry 4518726

Structure parameters

• Chemical name: (bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)tetrafluoroborate
• Formula: C38 H39 B Co F4 N2 P3
• Calculated formula: C38 H39 B Co F4 N2 P3
• Title of publication: Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes
• Authors of publication: Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 6384 - 6389
• a: 10.8813 ± 0.0012 Å
• b: 21.4 ± 0.002 Å
• c: 15.7081 ± 0.0016 Å
• α: 90°
• β: 95.165 ± 0.004°
• γ: 90°
• Cell volume: 3642.9 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No