Information card for entry 4112896

Structure parameters

• Formula: C22 H51 F6 Ni P3 Si
• Calculated formula: C22 H51 F6 Ni P3 Si
• SMILES: [Ni]1([P](C(C)(C)C)(CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)C[Si](C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.806 ± 0.003 Å
• b: 18.744 ± 0.005 Å
• c: 13.238 ± 0.004 Å
• α: 90°
• β: 92.104 ± 0.005°
• γ: 90°
• Cell volume: 2927.5 ± 1.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0902
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No