Information card for entry 7019354

Structure parameters

• Formula: C21 H21 I4 P
• Calculated formula: C21 H21 I4 P
• SMILES: c1(cc(ccc1)C)[P+](c1cc(ccc1)C)(c1cc(ccc1)C)I.I[I-]I
• Title of publication: Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).
• Authors of publication: Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7708 - 7728
• a: 13.2712 ± 0.0005 Å
• b: 12.1324 ± 0.0004 Å
• c: 14.9303 ± 0.0006 Å
• α: 90°
• β: 91.879 ± 0.001°
• γ: 90°
• Cell volume: 2402.66 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No