Information card for entry 7705390

Structure parameters

• Formula: C32 H46 Cu N2 O4
• Calculated formula: C32 H46 Cu N2 O4
• Title of publication: Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.
• Authors of publication: Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 12990 - 13002
• a: 29.373 ± 0.004 Å
• b: 29.373 ± 0.004 Å
• c: 20.654 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15432 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No