Information card for entry 4109032

Structure parameters

• Formula: C30 H52 F4 Ni2 P4
• Calculated formula: C30 H52 F4 Ni2 P4
• 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: 19.576 ± 0.002 Å
• b: 28.862 ± 0.003 Å
• c: 13.9109 ± 0.0015 Å
• α: 90°
• β: 117.108 ± 0.001°
• γ: 90°
• Cell volume: 6996.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No