Information card for entry 1557200

Structure parameters

• Common name: Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine
• Formula: C12 H24 I5 N3 O3 P Se
• Calculated formula: C12 I5 N3 O3 P Se
• Title of publication: Three-Center, Four-Electron Bonding and Structural Characteristics of Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine Molecular Complex
• Authors of publication: Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 689 - 708
• a: 8.999 ± 0.004 Å
• b: 16.874 ± 0.008 Å
• c: 16.996 ± 0.006 Å
• α: 90°
• β: 103.98 ± 0.03°
• γ: 90°
• Cell volume: 2504.4 ± 1.9 ų
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No