Information card for entry 2207709

Structure parameters

• Chemical name: catena-Poly[[[tris(pyridine-κN)copper(II)]-μ-3-carboxylatophenoxyacetato- κ^2^O^3^:O'] trihydrate]
• Formula: C24 H27 Cu N3 O8
• Calculated formula: C24 H27 Cu N3 O8
• SMILES: [Cu](OC(=O)c1cccc(OCC(=O)[O-])c1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)OC(=O)COc1cccc(C(=O)O[Cu]([n]2ccccc2)([n]2ccccc2)[n]2ccccc2)c1.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[tris(pyridine-κ<i>N</i>)copper(II)]-μ-3-carboxylatophenoxyacetato-κ^2^<i>O</i>^3^:<i>O</i>'] trihydrate]
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2696 - m2698
• a: 14.408 ± 0.002 Å
• b: 14.408 Å
• c: 21.63 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3888.6 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes