Information card for entry 2204840

Structure parameters

• Formula: C7 H7 O7 Rb S
• Calculated formula: C7 H7 O7 Rb S
• SMILES: [Rb+].O=C(O)c1c(O)ccc(S([O-])(=O)=O)c1.O
• Title of publication: Rubidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate
• Authors of publication: Mancheng Hu; Yanping Du; Shuni Li; Yucheng Jiang; Zhihong Liu; Chunyu Geng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m15 - m17
• a: 11.779 ± 0.011 Å
• b: 7.363 ± 0.007 Å
• c: 12.025 ± 0.011 Å
• α: 90°
• β: 103.359 ± 0.012°
• γ: 90°
• Cell volume: 1014.7 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes