Information card for entry 2214843

Structure parameters

• Chemical name: Tetra-μ-acetato-bis{[<i>N</i>-(4-methylphenyl)pyridine-3-\ carboxamide]copper(II)} ethanol disolvate
• Formula: C38 H48 Cu2 N4 O12
• Calculated formula: C38 H48 Cu2 N4 O12
• SMILES: c1cc[n]([Cu]2345[O]=C(O[Cu]5([n]5cc(ccc5)C(=O)Nc5ccc(cc5)C)([O]=C(O2)C)(OC(=[O]4)C)[O]=C(O3)C)C)cc1C(=O)Nc1ccc(cc1)C.OCC.OCC
• Title of publication: Tetra-μ-acetato-bis{[<i>N</i>-(4-methylphenyl)pyridine-3-carboxamide]copper(II)} ethanol disolvate
• Authors of publication: Shi, Chun-Yue; Ge, Chun-Hua; Song, Xi-Ming; Liu, Qi-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2104 - m2105
• a: 8.3874 ± 0.0006 Å
• b: 8.9727 ± 0.0007 Å
• c: 13.4394 ± 0.001 Å
• α: 87.5385 ± 0.001°
• β: 84.0111 ± 0.0011°
• γ: 87.8028 ± 0.0011°
• Cell volume: 1004.39 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes