Information card for entry 4343072

Structure parameters

• Common name: n/a
• Chemical name: [CP3CoN2][BArF24]
• Formula: C69 H66 B Co F24 N2 P3
• Calculated formula: C69 H66 B Co F24 N2 P3
• Title of publication: Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.
• Authors of publication: Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9256 - 9262
• a: 19.7869 ± 0.0017 Å
• b: 25.67 ± 0.002 Å
• c: 26.68 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13552 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No