Information card for entry 1556746

Structure parameters

• Formula: C20 H28 S3 Si2
• Calculated formula: C20 H28 S3 Si2
• SMILES: c1(ccc(C(=C\C#C[Si](C)(C)C)\SC)s1)/C(=C/C#C[Si](C)(C)C)SC
• 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: 34.443 ± 0.003 Å
• b: 6.7415 ± 0.0004 Å
• c: 10.1978 ± 0.0008 Å
• α: 90°
• β: 96.889 ± 0.005°
• γ: 90°
• Cell volume: 2350.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for significantly intense reflections: 2.84
• Goodness-of-fit parameter for all reflections included in the refinement: 2.56
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No