Information card for entry 2105954

Structure parameters

• Chemical name: Sodium selenate heptahemihydrate
• Formula: H15 Na2 O11.5 Se
• Calculated formula: H15 Na2 O11.5 Se
• SMILES: [Se](=O)(=O)([O-])[O-].[Na+].[Na+].O.O.O.O.O.O.O.O
• Title of publication: Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
• Authors of publication: Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 714 - 722
• a: 25.082 ± 0.007 Å
• b: 7.2222 ± 0.0013 Å
• c: 14.148 ± 0.005 Å
• α: 90°
• β: 106.08 ± 0.03°
• γ: 90°
• Cell volume: 2462.6 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No