Information card for entry 2219898

Structure parameters

• Chemical name: 4-Benzylpyridinium hydrogen selenate
• Formula: C12 H13 N O4 Se
• Calculated formula: C12 H13 N O4 Se
• SMILES: [Se](=O)(=O)(O)[O-].c1ccc(cc1)Cc1cc[nH+]cc1
• Title of publication: 4-Benzylpyridinium hydrogen selenate
• Authors of publication: Maalej, Wassim; Elaoud, Zakaria; Mhiri, Tahar; Daoud, Abdelaziz; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2172
• a: 27.449 ± 0.005 Å
• b: 10.821 ± 0.006 Å
• c: 8.83 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2622.7 ± 1.6 ų
• Cell temperature: 289 ± 2 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 significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes