Information card for entry 2224588

Structure parameters

• Chemical name: 2-(2H-Tetrazol-5-yl)pyridinium perchlorate monohydrate
• Formula: C6 H8 Cl N5 O5
• Calculated formula: C6 H8 Cl N5 O5
• SMILES: [nH+]1ccccc1c1n[nH]nn1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: 2-(2<i>H</i>-Tetrazol-5-yl)pyridinium perchlorate monohydrate
• Authors of publication: Dai, Jing; Zheng, Wen-Ni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o71
• a: 7.9945 ± 0.0016 Å
• b: 8.8679 ± 0.0018 Å
• c: 9.4184 ± 0.0019 Å
• α: 78.28 ± 0.03°
• β: 70.2 ± 0.03°
• γ: 67.97 ± 0.03°
• Cell volume: 580.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes