Information card for entry 2226241

Structure parameters

• Chemical name: Bis(acetato-κ<i>O</i>)[1,2-bis(2-pyridylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']copper(II) monohydrate
• Formula: C22 H24 Cu N2 O7
• Calculated formula: C22 H24 Cu N2 O7
• SMILES: [Cu]123([O](Cc4[n]2cccc4)c2ccccc2[O]1Cc1[n]3cccc1)(OC(=O)C)OC(=O)C.O
• Title of publication: Bis(acetato-κ<i>O</i>)[1,2-bis(2-pyridylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']copper(II) monohydrate
• Authors of publication: Zhang, Shuang; Wang, Yu-Jie; Ma, Dong-Sheng; Liu, Ying; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m701
• a: 11.661 ± 0.003 Å
• b: 14.689 ± 0.006 Å
• c: 15.553 ± 0.004 Å
• α: 90°
• β: 123.54 ± 0.011°
• γ: 90°
• Cell volume: 2220.5 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes