Information card for entry 4513888

Structure parameters

• Formula: C9 H18 Cl N3 Si
• Calculated formula: C9 H18 Cl N3 Si
• Title of publication: Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs
• Authors of publication: von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Pages of publication: 4526
• a: 7.3619 ± 0.0003 Å
• b: 15.6139 ± 0.0009 Å
• c: 10.5158 ± 0.0006 Å
• α: 90°
• β: 95.783 ± 0.003°
• γ: 90°
• Cell volume: 1202.62 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No