Information card for entry 4132739

Structure parameters

• Formula: C2 Cl12 Si4
• Calculated formula: C2 Cl12 Si4
• SMILES: C(=C([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
• Title of publication: Exhaustively Trichlorosilylated C₁ and C₂ Building Blocks: Beyond the Müller-Rochow Direct Process.
• Authors of publication: Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 30
• Pages of publication: 9696 - 9708
• a: 16.5007 ± 0.0011 Å
• b: 12.171 ± 0.0007 Å
• c: 18.2951 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3674.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No