Information card for entry 2005402

Structure parameters

• Chemical name: Tris(4-chlorophenyl)phosphine.
• Formula: C18 H12 Cl3 P
• Calculated formula: C18 H12 Cl3 P
• SMILES: Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
• Title of publication: Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine
• Authors of publication: bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2243 - 2245
• a: 14.654 ± 0.001 Å
• b: 14.385 ± 0.001 Å
• c: 15.897 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3351.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.0931
• Goodness-of-fit parameter for all reflections: 0.881
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No