Information card for entry 7123413

Structure parameters

• Common name: RJW_3_189
• Formula: C60 H63 B F20 N2 Ni Si4
• Calculated formula: C60 H63 B F20 N2 Ni Si4
• Title of publication: A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations
• Authors of publication: Witzke, Ryan J.; Tilley, T. Don
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.7613 ± 0.0005 Å
• b: 17.109 ± 0.0008 Å
• c: 18.0799 ± 0.0008 Å
• α: 97.169 ± 0.002°
• β: 98.893 ± 0.002°
• γ: 106.986 ± 0.002°
• Cell volume: 3094 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No