Information card for entry 2241716

Structure parameters

• Chemical name: Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide
• Formula: C12 H36 I2 Mn O6 S6
• Calculated formula: C12 H36 I2 Mn O6 S6
• SMILES: [Mn]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-].[I-]
• Title of publication: Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide
• Authors of publication: Glatz, Mathias; Schroffenegger, Martina; Weil, Matthias; Kirchner, Karl
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 904 - 906
• a: 12.0996 ± 0.0014 Å
• b: 24.511 ± 0.003 Å
• c: 11.2999 ± 0.0013 Å
• α: 90°
• β: 119.577 ± 0.003°
• γ: 90°
• Cell volume: 2914.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes