Information card for entry 2241295

Structure parameters

• Chemical name: Bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)
• Formula: C42 H40 Cl4 Co O2 P2
• Calculated formula: C42 H40 Cl4 Co O2 P2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[P+](CC(=O)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](CC(=O)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)
• Authors of publication: Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m209 - m210
• a: 18.758 ± 0.003 Å
• b: 15.769 ± 0.002 Å
• c: 27.157 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8033 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes