Information card for entry 7047877

Structure parameters

• Formula: C19 H17 Cl Cu N4 O2
• Calculated formula: C19 H17 Cl Cu N4 O2
• 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: 8.5866 ± 0.0007 Å
• b: 8.9466 ± 0.0007 Å
• c: 12.3484 ± 0.0008 Å
• α: 85.996 ± 0.006°
• β: 73.744 ± 0.006°
• γ: 75.759 ± 0.007°
• Cell volume: 882.7 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1641
• 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: No