Information card for entry 2213820

Structure parameters

• Chemical name: poly[triaqua(μ~4~-5-sulfosalicylato)potassium(I)]
• Formula: C7 H11 K O9 S
• Calculated formula: C7 H11 K O9 S
• SMILES: [K+].S(=O)(=O)([O-])c1ccc(O)c(c1)C(=O)O.O.O.O
• Title of publication: Poly[triaqua(μ~4~-5-sulfosalicylato)potassium(I)]
• Authors of publication: Guo, Hong-Xu; Li, Guo-Ping; Liang, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1558 - m1559
• a: 7.2648 ± 0.0002 Å
• b: 7.276 ± 0.0002 Å
• c: 11.9225 ± 0.0004 Å
• α: 87.394 ± 0.002°
• β: 81.907 ± 0.002°
• γ: 72.313 ± 0.002°
• Cell volume: 594.44 ± 0.03 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes