Information card for entry 2218631

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua{4-[<i>N</i>'-(2,4-dioxo-3- pentylidene)hydrazino]benzoato}copper(II)]-μ-acetato]
• Formula: C14 H16 Cu N2 O7
• Calculated formula: C14 H16 Cu N2 O7
• SMILES: [Cu](OC(=O)c1ccc(cc1)NN=C(C(=O)C)C(=O)C)(OC(=O)C)([OH2])[O]=C(C)O[Cu]([OH2])OC(=O)c1ccc(cc1)NN=C(C(=O)C)C(=O)C
• Title of publication: <i>catena</i>-Poly[[aqua{4-[<i>N</i>'-(2,4-dioxo-3-pentylidene)hydrazino]benzoato}copper(II)]-μ-acetato]
• Authors of publication: Hao, Lujiang; Mu, Chunhua; Wang, Ridong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m929
• a: 8.106 ± 0.002 Å
• b: 23.918 ± 0.004 Å
• c: 8.946 ± 0.002 Å
• α: 90°
• β: 106.9 ± 0.03°
• γ: 90°
• Cell volume: 1659.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2187
• 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