Information card for entry 2218608

Structure parameters

• Chemical name: cadmium sulfite hexahydrate
• Formula: Cd4 H12 O18 S4
• Calculated formula: Cd4 H12 O18 S4
• SMILES: [Cd+2].[Cd+2].[Cd][OH2].[Cd]([OH2])([OH2])[OH2].S(=O)([O-])[O-].S(=O)([O-])[O-].S(=O)([O-])[O-].S(=O)([O-])[O-].O
• Title of publication: Cadmium sulfite hexahydrate revisited
• Authors of publication: Baggio, Sergio; Ibáñez, Andrés; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: i43 - i44
• a: 12.1406 ± 0.0003 Å
• b: 10.5485 ± 0.0003 Å
• c: 13.9329 ± 0.0004 Å
• α: 90°
• β: 103.93 ± 0.01°
• γ: 90°
• Cell volume: 1731.84 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0178
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes