Information card for entry 7009383

Structure parameters

• Formula: C24 H22 Cu N4 O6
• Calculated formula: C24 H22 Cu N4 O6
• SMILES: [Cu]123N4C(=O)C(=O)N1c1ccccc1C(=[N]2CC[N]3=C(c1c4cccc1)C(=O)OCC)C(=O)OCC
• Title of publication: Crystal structure, redox and spectral properties of copper(II) complexes with macrocyclic ligands incorporating both oxamido and imine groups
• Authors of publication: Gao, En-Qing; Bu, Wei-Ming; Yang, Guang-Ming; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Wang, Geng-Lin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1431
• a: 23.871 ± 0.003 Å
• b: 8.0074 ± 0.0012 Å
• c: 25.775 ± 0.003 Å
• α: 90°
• β: 115.663 ± 0.008°
• γ: 90°
• Cell volume: 4440.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.0817
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No