Information card for entry 2019314

Structure parameters

• Common name: potassium 4-nitroanthranilate monohydrate
• Chemical name: Poly[μ-aqua-aqua(μ~5~-2-amino-4-nitrobenzoato)potassium(I)]
• Formula: C7 H7 K N2 O5
• Calculated formula: C7 H7 K N2 O5
• SMILES: [K+].O.O=C([O-])c1c(N)cc(N(=O)=O)cc1
• Title of publication: Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1472 - 1477
• a: 11.0753 ± 0.0006 Å
• b: 7.3693 ± 0.0004 Å
• c: 11.8371 ± 0.0007 Å
• α: 90°
• β: 110.144 ± 0.006°
• γ: 90°
• Cell volume: 907.01 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0409
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No