Information card for entry 2222308

Structure parameters

• Chemical name: 3-(1<i>H</i>-Tetrazol-5-yl)pyridinium 3-(2<i>H</i>-tetrazol-5-yl)pyridinium dinitrate
• Formula: C6 H6 N6 O3
• Calculated formula: C6 H6 N6 O3
• SMILES: n1c([nH]nn1)c1c[nH+]ccc1.N(=O)(=O)[O-]
• Title of publication: 3-(1<i>H</i>-Tetrazol-5-yl)pyridinium 3-(2<i>H</i>-tetrazol-5-yl)pyridinium dinitrate
• Authors of publication: Cui, Li-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1684
• a: 6.9157 ± 0.0014 Å
• b: 10.575 ± 0.002 Å
• c: 13.346 ± 0.003 Å
• α: 110.1 ± 0.03°
• β: 100.65 ± 0.03°
• γ: 95.87 ± 0.03°
• Cell volume: 886.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes