Information card for entry 2215724

Structure parameters

• Chemical name: 2-Ammonio-3-carboxy-5-nitrobenzoate monohydrate
• Formula: C8 H8 N2 O7
• Title of publication: 2-Ammonio-3-carboxy-5-nitrobenzoate monohydrate
• Authors of publication: Liu, T.; Zhu, J. Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4267
• a: 25.11 ± 0.02 Å
• b: 6.5742 ± 0.0016 Å
• c: 12.221 ± 0.002 Å
• α: 90°
• β: 112.002 ± 0.001°
• γ: 90°
• Cell volume: 1870.5 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: Yes