Information card for entry 2241132

Structure parameters

• Common name: Cadmium sulfate monohydrate
• Chemical name: Poly[(μ~2~-aqua)(μ~4~-sulfato)cadmium]
• Formula: Cd H2 O5 S
• Calculated formula: Cd H2 O5 S
• SMILES: [Cd+2].S(=O)(=O)([O-])[O-].O
• Title of publication: Crystal structure of CdSO~4~(H~2~O): a redetermination
• Authors of publication: Theppitak, Chatphorn; Chainok, Kittipong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: i8 - i9
• a: 7.6195 ± 0.0003 Å
• b: 7.4517 ± 0.0003 Å
• c: 8.1457 ± 0.0003 Å
• α: 90°
• β: 122.244 ± 0.001°
• γ: 90°
• Cell volume: 391.17 ± 0.03 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0128
• Residual factor for significantly intense reflections: 0.0115
• Weighted residual factors for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.0263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes