Information card for entry 7000944

Structure parameters

• Formula: C14 H14 N2 O11
• Calculated formula: C14 H14 N2 O11
• SMILES: c1c(cc(nc1C(=O)O)C(=O)O)c1cc(nc(c1)C(=O)O)C(=O)O.O.O.O
• Title of publication: Coordination polymer based on Cu(ii), Co(ii) and 4,4′-bipyridine-2,6,2′,6′-tetracarboxylate: synthesis, structure and adsorption properties
• Authors of publication: Zhao, Zhou; He, Xiang; Zhao, Yongmei; Shao, Min; Zhu, Shourong
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2802 - 2811
• a: 7.012 ± 0.006 Å
• b: 9.438 ± 0.009 Å
• c: 13.165 ± 0.012 Å
• α: 97.952 ± 0.011°
• β: 103.674 ± 0.013°
• γ: 110.541 ± 0.012°
• Cell volume: 768.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No