Information card for entry 2241946

Structure parameters

• Chemical name: Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide
• Formula: C12 H36 I4 Mn O6 S6
• Calculated formula: C12 H36 I4 Mn O6 S6
• SMILES: CS(C)=[O][Mn]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.II.[I-].[I-]
• Title of publication: Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide
• Authors of publication: Haque, Md Azimul; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tom
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1791 - 1793
• a: 11.8702 ± 0.001 Å
• b: 11.8702 ± 0.001 Å
• c: 19.386 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2365.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes