Information card for entry 4321997

Structure parameters

• Common name: diphenyltrichlorophosphorane
• Formula: C12 H10 Cl3 P
• Calculated formula: C12 H10 Cl3 P
• SMILES: P(Cl)(c1ccccc1)(c1ccccc1)(Cl)Cl
• Title of publication: Ph2PCl3: Covalency in Solution and the Solid State
• Authors of publication: Stephen A. Bell; Steven J. Geib; Tara Y. Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2524 - 2526
• a: 14.565 ± 0.013 Å
• b: 10.903 ± 0.006 Å
• c: 7.941 ± 0.007 Å
• α: 90°
• β: 96.22 ± 0.07°
• γ: 90°
• Cell volume: 1253.6 ± 1.7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No