Information card for entry 2102307

Structure parameters

• Formula: Na2 O5 S2
• Calculated formula: Na2 O5.075 S2
• SMILES: [Na+].[Na+].S(=O)(=O)([O-])S(=O)[O-]
• Title of publication: The surprisingly elusive crystal structure of sodium metabisulfite
• Authors of publication: Carter, Kay L.; Siddiquee, Tasneem A.; Murphy, Kristen L.; Bennett, Dennis W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 155 - 162
• a: 6.073 ± 0.001 Å
• b: 5.47 ± 0.001 Å
• c: 8.318 ± 0.001 Å
• α: 90°
• β: 103.16 ± 0.01°
• γ: 90°
• Cell volume: 269.06 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No