Information card for entry 2221977

Structure parameters

• Chemical name: 4-(2<i>H</i>-Tetrazol-5-yl)pyridinium perchlorate
• Formula: C6 H6 Cl N5 O4
• Calculated formula: C6 H6 Cl N5 O4
• SMILES: Cl(=O)(=O)(=O)[O-].n1c(n[nH]n1)c1cc[nH+]cc1
• Title of publication: 4-(2<i>H</i>-Tetrazol-5-yl)pyridinium perchlorate
• Authors of publication: Dai, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1349
• a: 5.2033 ± 0.001 Å
• b: 14.764 ± 0.003 Å
• c: 12.244 ± 0.002 Å
• α: 90°
• β: 101.78 ± 0.03°
• γ: 90°
• Cell volume: 920.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes