Information card for entry 7041638

Structure parameters

• Formula: C20.5 H18 F I3 Si
• Calculated formula: C18 H12 F I3 Si
• SMILES: c1(c(cccc1)I)[Si](F)(c1c(cccc1)I)c1c(cccc1)I
• 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: 14.5289 ± 0.0004 Å
• b: 14.5289 ± 0.0004 Å
• c: 5.78666 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1057.85 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No