Information card for entry 2105956

Structure parameters

• Chemical name: Sodium sulfate heptahydrate
• Formula: H14 Na2 O11 S
• Calculated formula: H14 Na2 O11 S
• SMILES: [Na+].[Na+].S(=O)(=O)([O-])[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: 14.3249 ± 0.0015 Å
• b: 14.3249 ± 0.0015 Å
• c: 22.202 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4555.9 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No