Information card for entry 7041635

Structure parameters

• Formula: C18 H13 Br3 Si
• Calculated formula: C18 H13 Br3 Si
• SMILES: Brc1c([SiH](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: 7.4821 ± 0.0004 Å
• b: 7.8061 ± 0.0004 Å
• c: 31.1863 ± 0.0014 Å
• α: 90°
• β: 92.952 ± 0.004°
• γ: 90°
• Cell volume: 1819.05 ± 0.16 ų
• Cell temperature: 99.8 ± 0.4 K
• Ambient diffraction temperature: 99.98 ± 0.16 K
• Number of distinct elements: 4
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No