Information card for entry 7047876

Structure parameters

• Formula: C40 H26 Cu2 N8 O6
• Calculated formula: C40 H26 Cu2 N8 O6
• SMILES: c1cccc2C(=O)N3[Cu]4(N(c5c3cccc5)C(=CC(=O)O4)c3ccccn3)[n]12
• Title of publication: Investigation of dioxygen activation by copper(ii)-iminate/aminate complexes.
• Authors of publication: Papanikolaou, Michael G.; Hadjithoma, Sofia; Chatzikypraiou, Dimitra S.; Papaioannou, Dionysios; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16242 - 16254
• a: 9.4219 ± 0.0006 Å
• b: 10.0037 ± 0.0007 Å
• c: 10.3783 ± 0.0007 Å
• α: 114.711 ± 0.004°
• β: 98.049 ± 0.005°
• γ: 106.462 ± 0.005°
• Cell volume: 813.82 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No