Information card for entry 4332288

Structure parameters

• Formula: C26 H24 I P3
• Calculated formula: C26 H24 I P3
• SMILES: C1CP(c2ccccc2)(c2ccccc2)=P[P+]1(c1ccccc1)c1ccccc1.[I-]
• Title of publication: Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds
• Authors of publication: Ellis, Bobby D.; Macdonald, Charles L. B.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6864 - 6874
• a: 10.1179 ± 0.0013 Å
• b: 13.5649 ± 0.0017 Å
• c: 19.688 ± 0.003 Å
• α: 71.97 ± 0.001°
• β: 81.28 ± 0.001°
• γ: 68.866 ± 0.001°
• Cell volume: 2394.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No