Information card for entry 4310531

Structure parameters

• Formula: C21.5 H20 Cl Cu F12 N4 O6
• Calculated formula: C21.5 H20 Cl Cu F12 N4 O6
• Title of publication: Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System
• Authors of publication: Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 969 - 977
• a: 22.581 ± 0.003 Å
• b: 22.581 ± 0.003 Å
• c: 64.185 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28343 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2569
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.621
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No