Information card for entry 2237948

Structure parameters

• Chemical name: Poly[1<i>H</i>-imidazol-3-ium [di-μ-nitrato-sodium]]
• Formula: C3 H5 N4 Na O6
• Calculated formula: C3 H5 N4 Na O6
• SMILES: [Na+].O=N(=O)[O-].O=N(=O)[O-].c1[nH]cc[nH+]1
• Title of publication: Poly[1<i>H</i>-imidazol-3-ium [di-μ-nitrato-sodium]]
• Authors of publication: Trifa, Chahrazed; Bouhali, Amira; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m303 - m304
• a: 3.5875 ± 0.0003 Å
• b: 24.8548 ± 0.0017 Å
• c: 8.819 ± 0.006 Å
• α: 90°
• β: 95.546 ± 0.004°
• γ: 90°
• Cell volume: 782.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes