Information card for entry 4341877

Structure parameters

• Formula: C38 H63 N Ni O1.5 P2
• Calculated formula: C38 H63 N 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: 9.9378 ± 0.0006 Å
• b: 18.7987 ± 0.0012 Å
• c: 20.7194 ± 0.0013 Å
• α: 90°
• β: 99.403 ± 0.001°
• γ: 90°
• Cell volume: 3818.7 ± 0.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.317
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No