Information card for entry 1551843

Structure parameters

• Formula: C32 H16 B F19 Si
• Calculated formula: C32 H16 B F19 Si
• SMILES: Fc1c(F)c(F)c(F)c(F)c1C1=C(c2c(F)c(F)c(F)c(F)c2F)c2c(c(F)c(F)c(F)c2F)[B]1(c1c(F)c(F)c(F)c(F)c1F)[H][Si](CC)(CC)CC
• Title of publication: Direct observation of a borane-silane complex involved in frustrated Lewis-pair-mediated hydrosilylations
• Authors of publication: Adrian Y. Houghton; Juha Hurmalainen; Akseli Mansikkamaki; Warren E. Piers; Heikki M. Tuononen
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 983 - 988
• a: 8.8644 ± 0.0006 Å
• b: 10.8121 ± 0.0007 Å
• c: 18.0451 ± 0.0012 Å
• α: 84.427 ± 0.004°
• β: 84.854 ± 0.004°
• γ: 70.356 ± 0.004°
• Cell volume: 1618.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No