Information card for entry 1556736

Structure parameters

• Formula: C13 H22 S Si2
• Calculated formula: C13 H22 S Si2
• SMILES: [Si](C#CC(=C\C#C[Si](C)(C)C)\SC)(C)(C)C
• Title of publication: Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.
• Authors of publication: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes
• Journal of publication: IUCrJ
• Year of publication: 2015
• Journal volume: 2
• Journal issue: Pt 5
• Pages of publication: 584 - 600
• a: 7.2016 ± 0.0004 Å
• b: 9.7603 ± 0.0004 Å
• c: 12.2829 ± 0.0004 Å
• α: 95.4952 ± 0.0016°
• β: 92.51 ± 0.002°
• γ: 101.346 ± 0.002°
• Cell volume: 840.86 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for significantly intense reflections: 2.49
• Goodness-of-fit parameter for all reflections included in the refinement: 2.27
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No