Information card for entry 4511783

Structure parameters

• Chemical name: [Ni(PtBu2NtBu2)(CH3CN)2](BF4)2
• Formula: C26 H53 B2 F8 N5 Ni P2
• Calculated formula: C26 H53 B2 F8 N5 Ni P2
• Title of publication: Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines
• Authors of publication: Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 2951
• a: 10.6454 ± 0.0009 Å
• b: 10.5867 ± 0.0009 Å
• c: 17.3734 ± 0.0015 Å
• α: 90°
• β: 90.393 ± 0.005°
• γ: 90°
• Cell volume: 1957.9 ± 0.3 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No