Information card for entry 4518725

Structure parameters

• Chemical name: (bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)bis(tetrafluoroborate)
• Formula: C38 H39 B2 Co F8 N2 P3
• Calculated formula: C38 H39 B2 Co F8 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: 24.1736 ± 0.0007 Å
• b: 10.243 ± 0.0003 Å
• c: 18.8716 ± 0.0005 Å
• α: 90°
• β: 121.705 ± 0.001°
• γ: 90°
• Cell volume: 3975.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No