Information card for entry 2225416

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) tetraiodidomanganate(II) acetone solvate
• Formula: C51 H46 I4 Mn O P2
• Calculated formula: C51 H46 I4 Mn O P2
• SMILES: [I-][Mn](I)(I)[I-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Bis(tetraphenylphosphonium) tetraiodidomanganate(II) acetone monosolvate
• Authors of publication: Jalilian, Ehsan; Lidin, Sven
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m338
• a: 19.523 ± 0.0004 Å
• b: 14.9733 ± 0.0003 Å
• c: 17.6152 ± 0.0004 Å
• α: 90°
• β: 105.161 ± 0.002°
• γ: 90°
• Cell volume: 4970.12 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes