Information card for entry 2201061

Structure parameters

• Formula: C4 H14 Cl O P
• Calculated formula: C4 H14 Cl O P
• SMILES: [Cl-].O.[P+](C)(C)(C)C
• Title of publication: Tetramethylphosphonium chloride hydrate
• Authors of publication: Margraf, Günter; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o546 - o547
• a: 11.762 ± 0.003 Å
• b: 8.628 ± 0.002 Å
• c: 17.604 ± 0.006 Å
• α: 90°
• β: 107.52 ± 0.02°
• γ: 90°
• Cell volume: 1703.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes