Information card for entry 7041776

Structure parameters

• Formula: C16 H12 Si
• Calculated formula: C16 H12 Si
• SMILES: [Si](C#C)(C#C)(c1ccccc1)c1ccccc1
• Title of publication: Fluoride complexation by bidentate silicon Lewis acids.
• Authors of publication: Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1898 - 1913
• a: 9.06686 ± 0.00012 Å
• b: 7.54672 ± 0.00009 Å
• c: 19.5187 ± 0.0002 Å
• α: 90°
• β: 101.186 ± 0.0013°
• γ: 90°
• Cell volume: 1310.2 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No