Information card for entry 7022962

Structure parameters

• Formula: H8 Mn5 O16 S3
• Calculated formula: H8 Mn5 O16 S3
• SMILES: [Mn][OH2].[Mn][OH2].[Mn+2].[Mn+2].[Mn+2].[OH-].[OH-].[OH-].[OH-].S(=O)([O-])[O-].S(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
• Title of publication: Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.
• Authors of publication: Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7158 - 7166
• a: 7.6117 ± 0.0007 Å
• b: 8.5326 ± 0.0007 Å
• c: 10.9273 ± 0.0009 Å
• α: 90°
• β: 101.601 ± 0.0013°
• γ: 90°
• Cell volume: 695.21 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No