Information card for entry 4134781

Structure parameters

• Chemical name: Bis(triphenylphosphoranylidene)ammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper fluoride tetrahydrofuran solvate
• Formula: C87 H107 Cu F N4 O7 P2
• Calculated formula: C87 H107 Cu F N4 O7 P2
• 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: 15.0248 ± 0.0016 Å
• b: 17.643 ± 0.002 Å
• c: 30.044 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7964.1 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No