Information card for entry 4110754

Structure parameters

• Formula: C44 H19 B F26 Si2
• Calculated formula: C44 H19 B F26 Si2
• SMILES: [Si]1(C)(C)c2cccc3c2c([Si](C)(C)[H]1)ccc3.[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.Fc1c(c(c(c(c1F)F)F)F)F
• 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: 14.9808 ± 0.0008 Å
• b: 10.7169 ± 0.0004 Å
• c: 27.4162 ± 0.0017 Å
• α: 90°
• β: 93.974 ± 0.005°
• γ: 90°
• Cell volume: 4391 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No