Information card for entry 2239508

Structure parameters

• Common name: rubidium 4-nitroanthranilate monohydrate
• Chemical name: Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium]
• Formula: C7 H7 N2 O5 Rb
• Calculated formula: C7 H7 N2 O5 Rb
• SMILES: [Rb+].O.O=C([O-])c1c(N)cc(N(=O)=O)cc1
• Title of publication: Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium]
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m192 - m193
• a: 15.2938 ± 0.0009 Å
• b: 6.8601 ± 0.0003 Å
• c: 17.8075 ± 0.001 Å
• α: 90°
• β: 99.996 ± 0.005°
• γ: 90°
• Cell volume: 1839.95 ± 0.17 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes