Information card for entry 2008016

Structure parameters

• Common name: Tetraphenylphosphonium tetrachloro[oxovanadate(V)]
• Chemical name: Tetraphenylphosphonium tetrachloro[oxovanadate(V)]
• Formula: C24 H20 Cl4 O P V
• Calculated formula: C24 H20 Cl4 O P V
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[V](Cl)(=O)(Cl)(Cl)Cl
• Title of publication: Tetraphenylphosphonium Tetrachlorooxovanadate(V)
• Authors of publication: Wulff-Molder, Dirk; Meisel, Manfred
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: IUC9800068
• a: 12.5629 ± 0.0006 Å
• b: 12.5629 ± 0.0006 Å
• c: 7.6587 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1208.75 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections: 1.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No