Information card for entry 2222378

Structure parameters

• Chemical name: (Methyldiphenylphosphoranylidene)ammonium chloride
• Formula: C13 H15 Cl N P
• Calculated formula: C13 H15 Cl N P
• SMILES: [P+](N)(c1ccccc1)(c1ccccc1)C.[Cl-]
• Title of publication: (Methyldiphenylphosphoranylidene)ammonium chloride
• Authors of publication: Valerio-Cárdenas, Cintya; Ortiz-Frade, Luis; Grévy M., Jean-Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1494
• a: 9.476 ± 0.0014 Å
• b: 11.8411 ± 0.0018 Å
• c: 11.8382 ± 0.0018 Å
• α: 90°
• β: 107.773 ± 0.002°
• γ: 90°
• Cell volume: 1264.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes