Information card for entry 7705396

Structure parameters

• Formula: C32.98 H47.96 Cl1.96 Cu F6 N2 O4 Sb
• Calculated formula: C32.978 H47.956 Cl1.956 Cu F6 N2 O4 Sb
• 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: 11.027 ± 0.002 Å
• b: 13.071 ± 0.003 Å
• c: 14.287 ± 0.003 Å
• α: 108.75 ± 0.03°
• β: 92.22 ± 0.03°
• γ: 91.99 ± 0.03°
• Cell volume: 1946.1 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No