Information card for entry 2235113

Structure parameters

• Chemical name: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate
• Formula: C16 H20 Cu N2 O5
• Calculated formula: C16 H20 Cu N2 O5
• SMILES: c12c3cc(cc[n]3[Cu]([n]2ccc(c1)C)(OC(=O)C)OC(=O)C)C.O
• Title of publication: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate
• Authors of publication: Kaewthong, Aphiwat; Sukwattanasinitt, Mongkol; Muangsin, Nongnuj
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m775
• a: 22.0667 ± 0.0008 Å
• b: 9.0192 ± 0.0003 Å
• c: 17.4088 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3464.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes