Information card for entry 2202046

Structure parameters

• Formula: C24 H24 Cl O2 P
• Calculated formula: C24 H24 Cl O2 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].O.O
• Title of publication: Tetraphenylphosphonium chloride dihydrate
• Authors of publication: Blake, Alexander J.; Garner, C. David; Tunney, Josephine M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o9 - o10
• a: 9.4849 ± 0.0011 Å
• b: 11.0024 ± 0.0013 Å
• c: 11.4028 ± 0.0013 Å
• α: 75.09 ± 0.002°
• β: 73.748 ± 0.002°
• γ: 71.05 ± 0.002°
• Cell volume: 1062.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes