Information card for entry 4109034

Structure parameters

• Formula: C36 H51 F6 Ni3 P3
• Calculated formula: C36 H31 F6 Ni3 P3
• Title of publication: 1,4-Shifts in a Dinuclear Ni(I) Biarylyl Complex: A Mechanistic Study of C-H Bond Activation by Monovalent Nickel
• Authors of publication: Alana L. Keen; Meghan Doster; Samuel A. Johnson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 810 - 819
• a: 12.42 ± 0.003 Å
• b: 14.719 ± 0.003 Å
• c: 21.426 ± 0.005 Å
• α: 90°
• β: 95.076 ± 0.004°
• γ: 90°
• Cell volume: 3901.5 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No