Information card for entry 2226608

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) tetrahydrate
• Formula: C22 H29 Cu N2 O10
• Calculated formula: C22 H29 Cu N2 O10
• SMILES: c1cccc2C[O]3c4ccccc4[O]4Cc5cccc[n]5[Cu]34([n]12)(OC(=O)C)OC(=O)C.O.O.O.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) tetrahydrate
• 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: 7
• Pages of publication: m787
• a: 8.0192 ± 0.0016 Å
• b: 11.291 ± 0.002 Å
• c: 14.117 ± 0.003 Å
• α: 102.97 ± 0.03°
• β: 92.69 ± 0.03°
• γ: 93.7 ± 0.03°
• Cell volume: 1240.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes