Information card for entry 4127386

Structure parameters

• Formula: C86 H90 Cu2 F8 O P6
• Calculated formula: C86 H90 Cu2 F8 O P6
• Title of publication: Selective Copper Complex-Catalyzed Hydrodefluorination of Fluoroalkenes and Allyl Fluorides: A Tale of Two Mechanisms.
• Authors of publication: Andrella, Nicholas O.; Xu, Nancy; Gabidullin, Bulat M.; Ehm, Christian; Baker, R. Tom
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 29
• Pages of publication: 11506 - 11521
• a: 10.012 ± 0.0018 Å
• b: 18.468 ± 0.003 Å
• c: 21.823 ± 0.004 Å
• α: 90°
• β: 92.408 ± 0.004°
• γ: 90°
• Cell volume: 4031.5 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No