Information card for entry 2204329

Structure parameters

• Chemical name: Tetrakis(μ-acetato-κ~2~O:O')bis[(3-hydroxypyridine-κN)copper]
• Formula: C18 H22 Cu2 N2 O10
• Calculated formula: C18 H22 Cu2 N2 O10
• SMILES: CC1=[O][Cu]234([n]5cc(ccc5)O)[O]=C(C)O[Cu]4(O1)([n]1cc(ccc1)O)([O]=C(C)O2)[O]=C(C)O3
• Title of publication: Tetr-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3-hydroxypyridine-κ<i>N</i>)copper(II)]
• Authors of publication: Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1405 - m1407
• a: 13.248 ± 0.003 Å
• b: 8.5327 ± 0.0017 Å
• c: 19.858 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes