Information card for entry 1557199

Structure parameters

• Common name: (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I)
• Formula: C6 H18 I4 N3 P Se
• Calculated formula: C6 I4 N3 P Se
• SMILES: I[Se][P+](N(C)C)(N(C)C)N(C)C.I[I-]I
• 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: 14.003 ± 0.004 Å
• b: 10.958 ± 0.002 Å
• c: 11.801 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1810.8 ± 0.7 ų
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 9.0729
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.617
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No