Information card for entry 4130251

Structure parameters

• Formula: C25 H16 B F15 O2 Si
• Calculated formula: C25 H16 B F15 O2 Si
• SMILES: [Si](OC=[O][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(CC)(CC)CC
• Title of publication: Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.
• Authors of publication: Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 16
• Pages of publication: 5321 - 5333
• a: 9.3295 ± 0.0019 Å
• b: 10.959 ± 0.002 Å
• c: 14.335 ± 0.003 Å
• α: 105.772 ± 0.005°
• β: 90.51 ± 0.006°
• γ: 103.244 ± 0.005°
• Cell volume: 1369 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0688
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No