Information card for entry 2220642

Structure parameters

• Chemical name: 4,4'-Bipyridinium bis(2-carboxypyridine-3-carboxylate)
• Formula: C24 H18 N4 O8
• Calculated formula: C24 H18 N4 O8
• SMILES: c1(c(cccn1)C(=O)O)C(=O)[O-].c1cc(cc[nH+]1)c1cc[nH+]cc1.c1(c(cccn1)C(=O)O)C(=O)[O-]
• Title of publication: 4,4'-Bipyridinium bis(2-carboxypyridine-3-carboxylate)
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Morsali, Ali; Hemmati, Foruzan; Manteghi, Faranak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o153
• a: 6.6675 ± 0.0002 Å
• b: 13.7755 ± 0.0005 Å
• c: 11.5887 ± 0.0004 Å
• α: 90°
• β: 106.31 ± 0.002°
• γ: 90°
• Cell volume: 1021.57 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes