Information card for entry 2213062

Structure parameters

• Chemical name: 2,2'-Bipyridinium 2-carboxy-4,6-dinitrophenolate
• Formula: C17 H12 N4 O7
• Calculated formula: C17 H12 N4 O7
• SMILES: [nH+]1ccccc1c1ncccc1.N(=O)(=O)c1c([O-])c(cc(N(=O)=O)c1)C(=O)O
• Title of publication: 2,2'-Bipyridinium 2-carboxy-4,6-dinitrophenolate
• Authors of publication: Wen-Dong Song; Xian-Xia Guo; Li Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1890 - o1891
• a: 7.3611 ± 0.0002 Å
• b: 7.8658 ± 0.0002 Å
• c: 28.1797 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1631.63 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes