Information card for entry 4313535

Structure parameters

• Chemical name: Tetramethylphosphoniumfluoride
• Formula: C4 H12 F P
• Calculated formula: C4 H12 F P
• SMILES: [P+](C)(C)(C)C.[F-]
• Title of publication: Tetramethylphosphonium Fluoride: "Naked" Fluoride and Phosphorane
• Authors of publication: Andreas Kornath; F. Neumann; H. Oberhammer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2894 - 2901
• a: 10.16 ± 0.001 Å
• b: 10.18 ± 0.001 Å
• c: 12.058 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1247.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.0722
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No