Information card for entry 4341878

Structure parameters

• Formula: C40 H63 N Ni O0.5 P2
• Calculated formula: C40 H63 N Ni O0.5 P2
• Title of publication: Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand.
• Authors of publication: Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R.; Hillhouse, Gregory L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141201110357006
• a: 10.7774 ± 0.0009 Å
• b: 18.7289 ± 0.0015 Å
• c: 21.1561 ± 0.0017 Å
• α: 71.087 ± 0.002°
• β: 81.048 ± 0.002°
• γ: 89.453 ± 0.002°
• Cell volume: 3986.8 ± 0.6 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No