Information card for entry 2227836

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquabis(pyridine-κ<i>N</i>)copper(II)]-μ- 2,2'-(<i>p</i>-phenylenedioxy)diacetato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C20 H20 Cu N2 O7
• Calculated formula: C20 H20 Cu N2 O7
• SMILES: [Cu]([OH2])([n]1ccccc1)([n]1ccccc1)(OC(=O)COc1ccc(OCC(=O)[O-])cc1)OC(=O)COc1ccc(cc1)OCC(=O)O[Cu]([OH2])([n]1ccccc1)[n]1ccccc1
• Title of publication: <i>catena</i>-Poly[[aquabis(pyridine-κ<i>N</i>)copper(II)]-μ-2,2'-(<i>p</i>-phenylenedioxy)diacetato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Zhang, Xiu-Mei; Li, Ya-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1283
• a: 15.363 ± 0.004 Å
• b: 6.0888 ± 0.0012 Å
• c: 21.896 ± 0.006 Å
• α: 90°
• β: 103.67 ± 0.03°
• γ: 90°
• Cell volume: 1990.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes