Information card for entry 7123414

Structure parameters

• Common name: RJW_3_087
• Chemical name: IPrNiO2CSi(SiMe3)3
• Formula: C37 H63 N2 Ni O2 Si4
• Calculated formula: C37 H63 N2 Ni O2 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: 10.3727 ± 0.0004 Å
• b: 14.3391 ± 0.0006 Å
• c: 15.0287 ± 0.0006 Å
• α: 100.925 ± 0.002°
• β: 91.647 ± 0.002°
• γ: 96.645 ± 0.002°
• Cell volume: 2177.1 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No