Information card for entry 4130341

Structure parameters

• Formula: C31 H45 F12 N6 Ni Sb2
• Calculated formula: C31 H45 F12 N6 Ni Sb2
• 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: 14.908 ± 0.0006 Å
• b: 14.033 ± 0.0006 Å
• c: 19.26 ± 0.0008 Å
• α: 90°
• β: 102.869 ± 0.0017°
• γ: 90°
• Cell volume: 3928.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No