Information card for entry 7705394

Structure parameters

• Formula: C36.36 H38.71 Cl0.71 Cu F6 N2 O4 Sb
• Calculated formula: C36.357 H38.712 Cl0.714 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: 22.84 ± 0.005 Å
• b: 25.399 ± 0.005 Å
• c: 16.261 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9433 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No