Information card for entry 4513892

Structure parameters

• Formula: C12.5 H20.5 Cl N3.5 O2 Si
• Calculated formula: C12.5 H20.5 Cl N3.5 O2 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: 8.6635 ± 0.0005 Å
• b: 9.8107 ± 0.0003 Å
• c: 9.9624 ± 0.0006 Å
• α: 90°
• β: 92.613 ± 0.003°
• γ: 90°
• Cell volume: 845.87 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No