Information card for entry 7001102

Structure parameters

• Common name: 2,2-bipyridine-3,3,6,6-tetracarboxylic acid
• Chemical name: 2,2-bipyridine-3,3,6,6-tetracarboxylic acid
• Formula: C14 H8 N2 O8
• Calculated formula: C14 H8 N2 O8
• SMILES: c1(c(C(=O)O)ccc(C(=O)O)n1)c1c(C(=O)O)ccc(C(=O)O)n1
• Title of publication: Structure and properties of 2,2′-bipyridine-3,3′,6,6′-tetracarboxylic acid and its iron(II) and cobalt(II) complexes
• Authors of publication: Dawid, Urszula; Pruchnik, Florian P.; Starosta, Radosław
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3348 - 3353
• a: 9.316 ± 0.001 Å
• b: 17.611 ± 0.001 Å
• c: 7.964 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1306.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No