Information card for entry 7047874

Structure parameters

• Formula: C18 H15 Cl Cu N4 O
• Calculated formula: C18 H15 Cl Cu N4 O
• 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: 11.1506 ± 0.0005 Å
• b: 13.696 ± 0.0006 Å
• c: 11.6476 ± 0.0005 Å
• α: 90°
• β: 112.259 ± 0.002°
• γ: 90°
• Cell volume: 1646.25 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No