Information card for entry 2018734

Structure parameters

• Chemical name: Poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]
• Formula: C8 H9 Na O5 S
• Calculated formula: C8 H9 Na O5 S
• SMILES: [Na+].O=S(=O)([O-])C(O)c1ccc(OC)cc1
• Title of publication: An anisaldehyde sodium bisulfite derivative: poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]
• Authors of publication: Díaz de Vivar, M. Enriqueta; Baggio, Sergio; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 52 - 55
• a: 16.649 ± 0.003 Å
• b: 6.0854 ± 0.001 Å
• c: 9.8244 ± 0.0016 Å
• α: 90°
• β: 101.365 ± 0.003°
• γ: 90°
• Cell volume: 975.8 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes