Information card for entry 4313223

Structure parameters

• Formula: C19 H16 Cu N4 O2
• Calculated formula: C19 H16 Cu N4 O2
• SMILES: [Cu]123N4c5c(C=[N]3CCC[N]2=Cc2c(N1C(=O)C4=O)cccc2)cccc5
• Title of publication: A Ferromagnetically Coupled CrCu3 Tetramer and GdCu4 Pentamer with a [15]N4 Macrocylic Ligand Incorporating an Oxamido Bridge
• Authors of publication: Lei Zhang; Shi-Bin Wang; Guang-Ming Yang; Jin-kui Tang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Peng Cheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1462 - 1466
• a: 9.81 ± 0.005 Å
• b: 9.688 ± 0.005 Å
• c: 16.528 ± 0.009 Å
• α: 90°
• β: 99.304 ± 0.008°
• γ: 90°
• Cell volume: 1550.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No