Information card for entry 2015533

Structure parameters

• Chemical name: Triaquamanganese sulfite
• Formula: H6 Mn O6 S
• Calculated formula: H6 Mn O6 S
• SMILES: [Mn]1([OH2])([OH2])([OH2])OS(=[O][Mn]2([OH2])([OH2])([OH2])OS(=O)O1)O[Mn]1([OH2])([OH2])([OH2])OS(O[Mn]([OH2])([OH2])([OH2])OS(=[O]2)O1)=O
• Title of publication: Triaquamanganese sulfite revisited
• Authors of publication: M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: i79 - i82
• a: 9.7577 ± 0.001 Å
• b: 5.6319 ± 0.0006 Å
• c: 9.5579 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 525.25 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No