Information card for entry 2234953

Structure parameters

• Chemical name: 4-Cyanopyridinium nitrate
• Formula: C6 H5 N3 O3
• Calculated formula: C6 H5 N3 O3
• SMILES: O=N(=O)[O-].[nH+]1ccc(cc1)C#N
• Title of publication: 4-Cyanopyridinium nitrate
• Authors of publication: Zheng, Wen-Ni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1695
• a: 6.3663 ± 0.0002 Å
• b: 13.2868 ± 0.0009 Å
• c: 9.1019 ± 0.0002 Å
• α: 90°
• β: 103.755 ± 0.001°
• γ: 90°
• Cell volume: 747.83 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0635
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes