Information card for entry 2008925

Structure parameters

• Formula: C18 H15 I Se
• Calculated formula: C18 H15 I Se
• SMILES: c1(ccccc1)[Se+](c1ccccc1)c1ccccc1.[I-]
• Title of publication: Triphenylselenonium iodide
• Authors of publication: Fleischer, Holger; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1572 - 1573
• a: 13.327 ± 0.003 Å
• b: 8.672 ± 0.002 Å
• c: 14.382 ± 0.003 Å
• α: 90°
• β: 98.23 ± 0.01°
• γ: 90°
• Cell volume: 1645 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No