Information card for entry 4500892

Structure parameters

• Formula: Cd H8 Na2 O12 S2
• Calculated formula: Cd H8 Na2 O12 S2
• SMILES: O(S(=O)(=O)[O-])[Cd]([OH2])(OS(=O)(=O)[O-])([OH2])([OH2])[OH2].[Na+].[Na+]
• Title of publication: Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials
• Authors of publication: Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 3213
• a: 5.5314 ± 0.0002 Å
• b: 8.4624 ± 0.0003 Å
• c: 11.3048 ± 0.0004 Å
• α: 90°
• β: 99.411 ± 0.004°
• γ: 90°
• Cell volume: 522.04 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.021
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No