Information card for entry 2103833

Structure parameters

• Chemical name: 4,4'-Bipyridyl‒maleic acid (1/2)
• Formula: C18 H16 N2 O8
• Calculated formula: C18 H16 N2 O8
• SMILES: C(=O)(/C=C\C(=O)O)[O-].c1cc(cc[nH+]1)c1cc[nH+]cc1.C(=O)(/C=C\C(=O)O)[O-]
• Title of publication: Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry
• Authors of publication: Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 100 - 117
• a: 24.037 ± 0.0016 Å
• b: 6.7434 ± 0.0006 Å
• c: 11.4388 ± 0.001 Å
• α: 90°
• β: 115.996 ± 0.004°
• γ: 90°
• Cell volume: 1666.5 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes