Information card for entry 4341875

Structure parameters

• Formula: C40 H68 N2 Ni O1.5 P2
• Calculated formula: C40 H68 N2 Ni O1.5 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: 10.3523 ± 0.0012 Å
• b: 11.7296 ± 0.0014 Å
• c: 17.66 ± 0.002 Å
• α: 81.351 ± 0.002°
• β: 87.044 ± 0.002°
• γ: 67.817 ± 0.002°
• Cell volume: 1963.1 ± 0.4 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: 0.0927
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No