Information card for entry 4121529

Structure parameters

• Formula: C20 H33 F5 Ni P2
• Calculated formula: C20 H33 F5 Ni P2
• Title of publication: On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.
• Authors of publication: Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 12
• Pages of publication: 4634 - 4639
• a: 7.5958 ± 0.0006 Å
• b: 8.2688 ± 0.0009 Å
• c: 9.8593 ± 0.0009 Å
• α: 74.385 ± 0.009°
• β: 72.833 ± 0.008°
• γ: 83.76 ± 0.008°
• Cell volume: 569.53 ± 0.1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No