Information card for entry 2239796

Structure parameters

• Common name: sodium selenate sesquihydrate
• Chemical name: Sodium selenate sesquihydrate
• Formula: H3 Na2 O5.5 Se
• Calculated formula: H3 Na2 O5.5 Se
• SMILES: [Se](=O)(=O)([O-])[O-].[Na+].[Na+].O.O
• Title of publication: Crystal structures of Na~2~SeO~4~·1.5H~2~O and Na~2~SeO~4~·10H~2~O
• Authors of publication: Weil, Matthias; Bonneau, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 54 - 57
• a: 6.7533 ± 0.0008 Å
• b: 8.6299 ± 0.001 Å
• c: 35.206 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2051.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes