Information card for entry 7110574

Structure parameters

• Formula: C9 H21 I7 P Se
• Calculated formula: C9 H21 I7 P Se
• SMILES: II.II.[I-].I[Se][P+](C(C)C)(C(C)C)C(C)C.II
• Title of publication: Coordination and oxidation of phosphine selenides with iodine: from cation pairs [(R3PSe)2I+]2 to (iodoseleno)phosphonium ions [R3PSeI]+ existing as guests in polyiodide matrices
• Authors of publication: Seppälä, Emma; Ruthe, Frank; Jeske, Jörg; du Mont, Wolf-W.; Jones, Peter G.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1471
• a: 50.655 ± 0.003 Å
• b: 15.5224 ± 0.0011 Å
• c: 12.5356 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9856.6 ± 1.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No