Information card for entry 4130342

Structure parameters

• Formula: C60 H101 F4 N6 Ni2 O7
• Calculated formula: C60 H100.45 F4 N6 Ni2 O7
• Title of publication: Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).
• Authors of publication: Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 18
• Pages of publication: 5777 - 5780
• a: 15.159 ± 0.003 Å
• b: 25.006 ± 0.005 Å
• c: 17.605 ± 0.003 Å
• α: 90°
• β: 109.14 ± 0.011°
• γ: 90°
• Cell volume: 6305 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No