Information card for entry 4103414

Structure parameters

• Formula: C42 H66 N Ni P2
• Calculated formula: C42 H66 N Ni P2
• SMILES: [Ni]1(Nc2c(c3c(cc(C)cc3C)C)cccc2c2c(cc(cc2C)C)C)[P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C
• Title of publication: Hydrogen-Atom Abstraction from Ni(I) Phosphido and Amido Complexes Gives Phosphinidene and Imide Ligands
• Authors of publication: Vlad M. Iluc; Gregory L. Hillhouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15148 - 15150
• a: 10.062 ± 0.0014 Å
• b: 16.959 ± 0.002 Å
• c: 11.5926 ± 0.0016 Å
• α: 90°
• β: 94.095 ± 0.002°
• γ: 90°
• Cell volume: 1973.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No