Information card for entry 2227551

Structure parameters

• Chemical name: 3,4-Diaminopyridinium 2-carboxy-4,6-dinitrophenolate
• Formula: C12 H11 N5 O7
• Calculated formula: C12 H11 N5 O7
• Title of publication: 3,4-Diaminopyridinium 2-carboxy-4,6-dinitrophenolate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2747
• a: 9.1187 ± 0.0004 Å
• b: 11.3569 ± 0.0005 Å
• c: 13.1343 ± 0.0006 Å
• α: 90°
• β: 98.204 ± 0.004°
• γ: 90°
• Cell volume: 1346.27 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1047
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes