Information card for entry 4307404

Structure parameters

• Formula: H Na3 O8 S2
• Calculated formula: H Na3 O8 S2
• SMILES: [Na+].[Na+].[Na+].S(=O)(=O)(O)[O-].S(=O)(=O)([O-])[O-]
• Title of publication: Analysis of Phase Transition Pathways in X3H(SO4)2 (X = Rb, NH4, K, Na): Variable Temperature Single-Crystal X-ray Diffraction Studies#
• Authors of publication: Diptikanta Swain; Tayur N. Guru Row
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4411 - 4421
• a: 8.667 ± 0.0017 Å
• b: 9.668 ± 0.0019 Å
• c: 9.2333 ± 0.0019 Å
• α: 90°
• β: 108.763 ± 0.003°
• γ: 90°
• Cell volume: 732.6 ± 0.3 ų
• Cell temperature: 500 ± 2 K
• Ambient diffraction temperature: 500 ± 2 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: 0.0286
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No