Information card for entry 2221956

Structure parameters

• Chemical name: 2-(2<i>H</i>-Tetrazol-5-yl)pyridinium nitrate
• Formula: C6 H6 N6 O3
• Calculated formula: C6 H6 N6 O3
• SMILES: [nH+]1c(c2nn[nH]n2)cccc1.N(=O)(=O)[O-]
• Title of publication: 2-(2<i>H</i>-Tetrazol-5-yl)pyridinium nitrate
• Authors of publication: Cui, Li-Jing; Yu, Miao-Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1318
• a: 20.4 ± 0.004 Å
• b: 4.8981 ± 0.001 Å
• c: 19.135 ± 0.004 Å
• α: 90°
• β: 114.77 ± 0.03°
• γ: 90°
• Cell volume: 1736.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1592
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes