Information card for entry 4110755

Structure parameters

• Formula: C45 H26 B F21 Si2
• Calculated formula: C45 H26 B F21 Si2
• SMILES: [F]1[Si](C)(C)c2c3c([Si]1(C)C)cccc3ccc2.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C
• Title of publication: Hydrogen- and Fluorine-Bridged Disilyl Cations and Their Use in Catalytic C-F Activation
• Authors of publication: Robin Panisch; Michael Bolte; Thomas Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9676 - 9682
• a: 10.352 ± 0.001 Å
• b: 13.8604 ± 0.0013 Å
• c: 15.6453 ± 0.0015 Å
• α: 85.862 ± 0.008°
• β: 85.879 ± 0.008°
• γ: 74.786 ± 0.007°
• Cell volume: 2157.2 ± 0.4 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: 0.0493
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No