Information card for entry 2224224

Structure parameters

• Chemical name: 2-Amino-5-nitropyridinium hydrogen selenate
• Formula: C5 H7 N3 O6 Se
• Calculated formula: C5 H7 N3 O6 Se
• SMILES: [Se](=O)(=O)([O-])O.O=N(=O)c1ccc([nH+]c1)N
• Title of publication: 2-Amino-5-nitropyridinium hydrogen selenate
• Authors of publication: Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3009 - o3010
• a: 9.092 ± 0.003 Å
• b: 13.416 ± 0.002 Å
• c: 30.149 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3677.5 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes