Information card for entry 2205809

Structure parameters

• Chemical name: Catena-poly[aqua(2,2'-bipyridine)copper(II)-μ-benzene-1,4-dioxyacetato]
• Formula: C20 H18 Cu N2 O7
• Calculated formula: C20 H18 Cu N2 O7
• SMILES: [Cu]1([OH2])([n]2c(c3[n]1cccc3)cccc2)OC(=O)COc1ccc(cc1)OCC(=O)O[Cu]1([OH2])([n]2c(c3[n]1cccc3)cccc2)OC(=O)COc1ccc(cc1)OCC(=O)[O-]
• Title of publication: Catena-poly[aqua(2,2'-bipyridine)copper(II)-μ-benzene-1,4-dioxyacetato]
• Authors of publication: Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m895 - m897
• a: 6.9836 ± 0.0014 Å
• b: 15.597 ± 0.003 Å
• c: 17.506 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.086
• 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