Information card for entry 1556741

Structure parameters

• Formula: C22 H32 O2 S3 Si2
• Calculated formula: C22 H32 O2 S3 Si2
• SMILES: s1c(c(OC)c(OC)c1/C(=C/C#C[Si](C)(C)C)SC)/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: 34.344 ± 0.002 Å
• b: 8.1665 ± 0.0005 Å
• c: 20.0791 ± 0.0012 Å
• α: 90°
• β: 100.532 ± 0.002°
• γ: 90°
• Cell volume: 5536.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for significantly intense reflections: 3.43
• Goodness-of-fit parameter for all reflections included in the refinement: 3.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No