Information card for entry 2204115

Structure parameters

• Common name: catena-Poly[[aquabis(1H-imidazole-κN^3^)copper(II)]-μ- benzene-1,4-dioxyacetato-κ^2^O:O']
• Chemical name: Catena-poly[aquabis(1H-imidazole-κN^3^)copper(II)-μ-benzene- phenylenedioxydiacetato-κ^2^O,O']
• Formula: C16 H18 Cu N4 O7
• Calculated formula: C16 H18 Cu N4 O7
• SMILES: [Cu]([n]1c[nH]cc1)([n]1cc[nH]c1)([OH2])OC(=O)COc1ccc(cc1)OCC(=O)O[Cu]([n]1c[nH]cc1)([n]1cc[nH]c1)([OH2])OC(=O)COc1ccc(cc1)OCC(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-benzene-1,4-dioxyacetato-κ^2^<i>O</i>:<i>O</i>']
• 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: 9
• Pages of publication: m1267 - m1269
• a: 16.699 ± 0.003 Å
• b: 6.0327 ± 0.0012 Å
• c: 18.977 ± 0.004 Å
• α: 90°
• β: 107.06 ± 0.03°
• γ: 90°
• Cell volume: 1827.6 ± 0.7 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: 0.093
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes