Information card for entry 1556737

Structure parameters

• Formula: C22 H30 S2 Si2
• Calculated formula: C22 H30 S2 Si2
• SMILES: S(C(=C\C#C[Si](C)(C)C)/c1ccc(cc1)C(=C\C#C[Si](C)(C)C)\SC)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: 34.148 ± 0.006 Å
• b: 6.869 ± 0.0012 Å
• c: 10.3442 ± 0.0018 Å
• α: 90°
• β: 98.343 ± 0.008°
• γ: 90°
• Cell volume: 2400.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for significantly intense reflections: 2.41
• Goodness-of-fit parameter for all reflections included in the refinement: 2.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No