Information card for entry 1514840

Structure parameters

• Formula: C197 H204 B2 F48 N6 Ni2 O4
• Calculated formula: C197 H204 B2 F48 N6 Ni2 O4
• Title of publication: Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation
• Authors of publication: Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 170
• a: 14.7621 ± 0.0015 Å
• b: 16.7885 ± 0.0017 Å
• c: 21.465 ± 0.002 Å
• α: 102.291 ± 0.002°
• β: 106.901 ± 0.002°
• γ: 105.812 ± 0.002°
• Cell volume: 4644.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No