Information card for entry 4112897

Structure parameters

• Formula: C23 H51 Ni P2
• Calculated formula: C23 H51 Ni P2
• SMILES: [Ni]1([P](C(C)(C)C)(CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)CC(C)(C)C
• Title of publication: Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations
• Authors of publication: Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10554 - 10555
• a: 10.38 ± 0.006 Å
• b: 16.047 ± 0.009 Å
• c: 16.455 ± 0.009 Å
• α: 90°
• β: 107.844 ± 0.01°
• γ: 90°
• Cell volume: 2609 ± 3 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No