Information card for entry 4120417

Structure parameters

• Formula: C12 H23 Cu F5 K N2 O3
• Calculated formula: C12 H23 Cu F5 K N2 O3
• Title of publication: Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides
• Authors of publication: Anton Lishchynskyi; Vladimir V. Grushin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12584 - 12587
• a: 25.841 ± 0.008 Å
• b: 12.128 ± 0.004 Å
• c: 14.828 ± 0.005 Å
• α: 90°
• β: 123.316 ± 0.01°
• γ: 90°
• Cell volume: 3883 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No