Information card for entry 4078312

Structure parameters

• Common name: (C=NCF3)FI-Ni
• Chemical name: [2-tert-butyl-6-(2,2,2-trifluoro-1-(2,6-diisopropylphenyl) imino-ethyl)phenolato]-Ni(II)-methyl-(trimethylphosphine)
• Formula: C28 H41 F3 N Ni O P
• Calculated formula: C28 H41 F3 N Ni O P
• Title of publication: Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions
• Authors of publication: Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3773
• a: 11.5636 ± 0.0006 Å
• b: 25.3986 ± 0.0013 Å
• c: 9.9465 ± 0.0005 Å
• α: 90°
• β: 106.771 ± 0.003°
• γ: 90°
• Cell volume: 2797 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No