Information card for entry 2225364

Structure parameters

• Chemical name: 4-amino-3-ammoniopyridinium dinitrate
• Formula: C5 H9 N5 O6
• Calculated formula: C5 H9 N5 O6
• SMILES: [nH+]1cc([NH3+])c(N)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: 4-Amino-3-ammoniopyridinium dinitrate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o639 - o640
• a: 12.3008 ± 0.0005 Å
• b: 10.5086 ± 0.0005 Å
• c: 7.1411 ± 0.0003 Å
• α: 90°
• β: 97.546 ± 0.001°
• γ: 90°
• Cell volume: 915.09 ± 0.07 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: 0.0398
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes