Information card for entry 2218587

Structure parameters

• Common name: Sodium methylenedisulfonate
• Chemical name: Poly[penta-μ-aqua-μ~6~-methylenedisulfonato-μ~5~-methylenedisulfonato- tetrasodium(I)]
• Formula: C H7 Na2 O8.5 S2
• Calculated formula: C H7 Na2 O8.5 S2
• SMILES: C(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].O.O.O
• Title of publication: Poly[penta-μ-aqua-μ~6~-methylenedisulfonato-μ~5~-methylenedisulfonato-tetrasodium(I)]
• Authors of publication: Cao, Dan-Dan; Zhang, Zai-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m815
• a: 8.7758 ± 0.0007 Å
• b: 9.5339 ± 0.0007 Å
• c: 10.7878 ± 0.0008 Å
• α: 81.425 ± 0.002°
• β: 74.545 ± 0.002°
• γ: 87.227 ± 0.002°
• Cell volume: 860.19 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes