Information card for entry 2204414

Structure parameters

• Chemical name: diacetatobis(3-hydroxypyridine)copper(II)
• Formula: C14 H16 Cu N2 O6
• Calculated formula: C14 H16 Cu N2 O6
• SMILES: c1c(O)ccc[n]1[Cu]([n]1cc(ccc1)O)(OC(=O)C)OC(=O)C
• Title of publication: A one-dimensional hydrogen-bonding chain of diacetatobis(3-hydroxypyridine)copper(II)
• Authors of publication: Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhang, Xian-Fa; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1353 - m1355
• a: 8.9725 ± 0.0018 Å
• b: 10.138 ± 0.002 Å
• c: 10.247 ± 0.002 Å
• α: 114.92 ± 0.03°
• β: 100.2 ± 0.03°
• γ: 100.07 ± 0.03°
• Cell volume: 798.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes