Information card for entry 2016951

Structure parameters

• Chemical name: Poly[triaquabis(μ~4~-4-carboxybenzenesulfonato- κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')strontium(II)]
• Formula: C14 H16 O13 S2 Sr
• Calculated formula: C14 H16 O13 S2 Sr
• SMILES: [Sr]([OH2])([OH2])[OH2].[O-]S(=O)(=O)c1ccc(cc1)C(=O)O.S(=O)(=O)([O-])c1ccc(cc1)C(=O)O
• Title of publication: Poly[triaqua(μ~4~-4-carboxybenzenesulfonato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(4-carboxybenzenesulfonato-κ<i>O</i>)strontium(II)]
• Authors of publication: Prochniak, G.; Videnova-Adrabinska, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m103 - m106
• a: 22.5926 ± 0.0004 Å
• b: 11.7646 ± 0.0002 Å
• c: 7.2025 ± 0.0011 Å
• α: 90°
• β: 92.221 ± 0.002°
• γ: 90°
• Cell volume: 1912.9 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes