Information card for entry 1556742

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: 33.63 ± 0.01 Å
• b: 8.271 ± 0.002 Å
• c: 19.717 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5484 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for significantly intense reflections: 3.8
• Goodness-of-fit parameter for all reflections included in the refinement: 3.22
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No