Information card for entry 2015575

Structure parameters

• Chemical name: catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-4- carboxylatophenoxyacetato-κ^3^O,O':O'']
• Formula: C19 H16 Cd N2 O6
• Calculated formula: C19 H16 Cd N2 O6
• SMILES: [Cd]12(OC(=[O]2)COc2ccc(cc2)C(=O)[O-])([OH2])([n]2ccccc2c2[n]1cccc2)OC(=O)c1ccc(OCC(=[O]2)O[Cd]23([OH2])[n]2ccccc2c2[n]3cccc2)cc1
• Title of publication: <i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]
• Authors of publication: Yang, Yan; Zeng, Ming-Hua; Meng, Fa-Yan; Liang, Hong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m392 - m394
• a: 6.799 ± 0.002 Å
• b: 15.834 ± 0.005 Å
• c: 16.441 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1770 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes