Information card for entry 2003904

Structure parameters

• Chemical name: Trimethylphenyphosphoniumiodide
• Formula: C9 H14 I P
• Calculated formula: C9 H14 I P
• SMILES: [I-].[P+](c1ccccc1)(C)(C)C
• Title of publication: Two Trimethylphenylphosphonium Iodides
• Authors of publication: Schödel, H.; Näther, C.; Bock, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1841 - 1844
• a: 24.699 ± 0.002 Å
• b: 7.343 ± 0.001 Å
• c: 12.748 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0481
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No