Information card for entry 4313536

Structure parameters

• Chemical name: Tetramethylphosphoniumfluoride Tetrahydrate
• Formula: C4 H20 F O4 P
• Calculated formula: C4 H20 F O4 P
• SMILES: [F-].O.[P+](C)(C)(C)C.O.O.O
• 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: 11.061 ± 0.001 Å
• b: 11.061 ± 0.001 Å
• c: 8.163 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 998.71 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for all reflections: 0.857
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No