Information card for entry 4134780

Structure parameters

• Chemical name: [N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper chloride diethyl ether solvate
• Formula: C39 H57 Cl Cu N3 O4
• Calculated formula: C39 H57 Cl 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: 19.3809 ± 0.0009 Å
• b: 13.1487 ± 0.0006 Å
• c: 15.3938 ± 0.0007 Å
• α: 90°
• β: 95.551 ± 0.002°
• γ: 90°
• Cell volume: 3904.5 ± 0.3 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: 0.0447
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No