Information card for entry 7201601

Structure parameters

• Common name: 2
• Formula: C14 H12 N2 O10
• Calculated formula: C14 H12 N2 O10
• SMILES: c1(cc(nc(c1)C(=O)O)c1cc(cc(C(=O)O)n1)C(=O)O)C(=O)O.O.O
• Title of publication: Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals
• Authors of publication: Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 68
• a: 9.0649 ± 0.0013 Å
• b: 7.1645 ± 0.0011 Å
• c: 11.7296 ± 0.0017 Å
• α: 90°
• β: 102.472 ± 0.003°
• γ: 90°
• Cell volume: 743.81 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No