Information card for entry 7012610

Structure parameters

• Common name: 2,2'-bipyridine-4,4'-dicarboxylic acid
• Formula: C12 H8 N2 O4
• Calculated formula: C12 H8 N2 O4
• SMILES: c1cc(cc(c2cc(ccn2)C(=O)O)n1)C(=O)O
• Title of publication: Coordination and hydrogen bonded networks featuring 4,4'-dicarboxy-2,2'-bipyridine (H2dcbp): structural characterisation of H2dcbp, [Co(dcbp)(H2O)4]·4H2O, and {[Cu(dcbp)(H2O)2]·2H2O}n
• Authors of publication: Tynan, Eithne; Jensen, Paul; Kruger, Paul E.; Lees, Anthea C.; Nieuwenhuyzen, Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1223
• a: 3.625 ± 0.001 Å
• b: 14.644 ± 0.005 Å
• c: 18.649 ± 0.007 Å
• α: 90°
• β: 91.199 ± 0.005°
• γ: 90°
• Cell volume: 989.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No