Information card for entry 7041640

Structure parameters

• Formula: C18 H12 Br3 F Si
• Calculated formula: C18 H12 Br3 F Si
• SMILES: Brc1c([Si](F)(c2c(Br)cccc2)c2c(Br)cccc2)cccc1
• Title of publication: Tridentate Lewis-acids based on triphenylsilane.
• Authors of publication: Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1645 - 1659
• a: 8.5263 ± 0.00012 Å
• b: 14.8043 ± 0.0002 Å
• c: 15.1065 ± 0.0002 Å
• α: 105.902 ± 0.0013°
• β: 99.9179 ± 0.0012°
• γ: 95.7928 ± 0.0012°
• Cell volume: 1784.24 ± 0.05 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 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: 0.0364
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No