Information card for entry 4134782

Structure parameters

• Common name: PDACuBr
• Chemical name: [N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper bromide diethyl ether solvate
• Formula: C39 H57 Br Cu N3 O4
• Calculated formula: C39 H57 Br Cu N3 O4
• 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: 19.5193 ± 0.0018 Å
• b: 13.327 ± 0.0013 Å
• c: 15.3535 ± 0.0014 Å
• α: 90°
• β: 94.521 ± 0.003°
• γ: 90°
• Cell volume: 3981.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No