Information card for entry 7021142

Structure parameters

• Formula: C39 H50 Cu N3 O4
• Calculated formula: C39 H50 Cu N3 O4
• Title of publication: Synthesis, characterization and catalytic activity of copper(ii) complexes containing a redox-active benzoxazole iminosemiquinone ligand.
• Authors of publication: Balaghi, S. Esmael; Safaei, Elham; Chiang, Linus; Wong, Edwin W. Y.; Savard, Didier; Clarke, Ryan M.; Storr, Tim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6829 - 6839
• a: 12.5963 ± 0.0012 Å
• b: 16.3407 ± 0.0016 Å
• c: 18.3053 ± 0.0018 Å
• α: 90°
• β: 98.179 ± 0.001°
• γ: 90°
• Cell volume: 3729.5 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No