Information card for entry 2232011

Structure parameters

• Common name: rubidium 5-nitrosalicylate monohydrate
• Chemical name: Poly[aqua(μ-2-hydroxy-5-nitrobenzoato- κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^)rubidium]
• Formula: C7 H6 N O6 Rb
• Calculated formula: C7 H6 N O6 Rb
• SMILES: [Rb+].O.Oc1c(cc(N(=O)=O)cc1)C(=O)[O-]
• Title of publication: Poly[aqua(μ~3~-2-hydroxy-5-nitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^)rubidium]
• Authors of publication: Smith, Graham; Wermuth, Urs D.; Williams, Michael L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1400
• a: 11.9738 ± 0.0005 Å
• b: 12.023 ± 0.0004 Å
• c: 6.9571 ± 0.0003 Å
• α: 90°
• β: 105.401 ± 0.004°
• γ: 90°
• Cell volume: 965.59 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes