Information card for entry 4126102

Structure parameters

• Formula: C28 H30 F8 N2 Ni O3
• Calculated formula: C28 H30 F8 N2 Ni O3
• 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: 13.09343 ± 0.00011 Å
• b: 10.40312 ± 0.00009 Å
• c: 19.9446 ± 0.00016 Å
• α: 90°
• β: 93.8233 ± 0.0008°
• γ: 90°
• Cell volume: 2710.66 ± 0.04 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No