Information card for entry 2223741

Structure parameters

• Chemical name: Aquabis(benzoato-κ<i>O</i>)(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C26 H24 Cu N2 O5
• Calculated formula: C26 H24 Cu N2 O5
• SMILES: [Cu]1([n]2c(c3[n]1cc(cc3)C)ccc(c2)C)(OC(=O)c1ccccc1)(OC(=O)c1ccccc1)[OH2]
• Title of publication: Aquabis(benzoato-κ<i>O</i>)(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Dong, Xi-Yan; Xu, Xiaojie; Yang, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1290
• a: 36.033 ± 0.006 Å
• b: 37.681 ± 0.006 Å
• c: 7.0402 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9559 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes