Information card for entry 4125962

Structure parameters

• Formula: C19 H12 F8 N2 Ni
• Calculated formula: C19 H12 F8 N2 Ni
• Title of publication: Oxidatively Induced C-H Activation at High Valent Nickel.
• Authors of publication: Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6058 - 6061
• a: 15.833 ± 0.0003 Å
• b: 12.9988 ± 0.0003 Å
• c: 8.5257 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1754.67 ± 0.07 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No