Information card for entry 2211239

Structure parameters

• Formula: C12 H12 N4 O6
• Calculated formula: C12 H12 N4 O6
• SMILES: c1(cc[nH+]cc1)/C=C/c1cc[nH+]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: 4,4'-(Ethene-1,2-diyl)dipyridinium dinitrate
• Authors of publication: Guo-Bing Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4942 - o4943
• a: 3.7654 ± 0.0005 Å
• b: 13.9364 ± 0.0018 Å
• c: 12.8879 ± 0.0016 Å
• α: 90°
• β: 93.942 ± 0.002°
• γ: 90°
• Cell volume: 674.71 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes