Information card for entry 2204779

Structure parameters

• Common name: catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]- μ-benzene-1,3-dioxyacetato-κ^2^O:O'] dihydrate]
• Chemical name: catena-poly[[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]- μ-phenylenebis(oxyacetato)-κ^2^O:O'] dihydrate]
• Formula: C22 H22 Cu N2 O9
• Calculated formula: C22 H22 Cu N2 O9
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)COc1cccc(OCC(=O)[O-])c1)([OH2])OC(=O)COc1cccc(OCC(=O)O[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)[OH2])c1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-benzene-1,3-dioxyacetato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1769 - m1771
• a: 9.0034 ± 0.001 Å
• b: 19.4609 ± 0.0019 Å
• c: 12.7448 ± 0.0013 Å
• α: 90°
• β: 93.005 ± 0.005°
• γ: 90°
• Cell volume: 2230 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes