Information card for entry 2215345

Structure parameters

• Chemical name: Di-<i>tert</i>-butylmethylphosphonium chloride
• Formula: C9 H22 Cl P
• Calculated formula: C9 H22 Cl P
• SMILES: [Cl-].[PH+](C(C)(C)C)(C(C)(C)C)C
• Title of publication: Di-<i>tert</i>-butylmethylphosphonium chloride
• Authors of publication: Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4150 - o4150
• a: 7.0601 ± 0.0006 Å
• b: 10.5406 ± 0.0006 Å
• c: 15.7074 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1168.91 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes