Information card for entry 7110572

Structure parameters

• Formula: C27.5 H58 I6 P2 Se2
• Calculated formula: C27.5 H58 I6 P2 Se2
• 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: 31.687 ± 0.005 Å
• b: 13.955 ± 0.002 Å
• c: 19.383 ± 0.002 Å
• α: 90°
• β: 95.193 ± 0.015°
• γ: 90°
• Cell volume: 8536 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections: 0.1541
• Weighted residual factors for significantly intense reflections: 0.133
• Goodness-of-fit parameter for all reflections: 1.155
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No