Information card for entry 2229492

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3-methoxybenzoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II) monohydrate
• Formula: C26 H24 Cu N2 O7
• Calculated formula: C26 H24 Cu N2 O7
• SMILES: [Cu]1([n]2ccccc2c2[n]1cccc2)(OC(=O)c1cccc(c1)OC)OC(=O)c1cccc(c1)OC.O
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3-methoxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II) monohydrate
• Authors of publication: Lin, Ming-Hao; Zhou, Jing-Fan; Liu, Bin-Bin; Lin, Jian-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m352
• a: 19.888 ± 0.004 Å
• b: 10.887 ± 0.002 Å
• c: 11.612 ± 0.002 Å
• α: 90°
• β: 103.62 ± 0.03°
• γ: 90°
• Cell volume: 2443.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes