Information card for entry 4513891

Structure parameters

• Formula: C22 H36 F12 N8 O8 S4 Si2
• Calculated formula: C20 H36 F6 N7 O4 S2 Si2
• 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: 17.0441 ± 0.001 Å
• b: 17.1344 ± 0.0005 Å
• c: 26.8405 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7838.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No