Information card for entry 2019966

Structure parameters

• Common name: rubidium 4-nitrobenzoate dihydrate
• Chemical name: Poly[μ~3~-aqua-aqua-μ~5~-(4-nitrobenzoato)-rubidium]
• Formula: C7 H8 N O6 Rb
• Calculated formula: C7 H8 N O6 Rb
• SMILES: [Rb+].O.O.[O-]C(=O)c1ccc(N(=O)=O)cc1
• Title of publication: The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• a: 5.9355 ± 0.0005 Å
• b: 7.0456 ± 0.0007 Å
• c: 24.204 ± 0.002 Å
• α: 90°
• β: 98.739 ± 0.008°
• γ: 90°
• Cell volume: 1000.44 ± 0.16 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: 0.0432
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes