Information card for entry 4134779

Structure parameters

• Chemical name: ['N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper fluoride fluorobenzene solvate
• Formula: C43 H47 Cu F3 N3 O2
• Calculated formula: C43 H47 Cu F3 N3 O2
• Title of publication: C(sp³)-H Fluorination with a Copper(II)/(III) Redox Couple.
• Authors of publication: Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.1436 ± 0.0009 Å
• b: 13.9372 ± 0.0013 Å
• c: 15.675 ± 0.0013 Å
• α: 90°
• β: 97.531 ± 0.004°
• γ: 90°
• Cell volume: 1980.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No