Information card for entry 7042856

Structure parameters

• Chemical name: 1,1-dichlorosilacyclohexane
• Formula: C5 H10 Cl2 Si
• Calculated formula: C5 H10 Cl2 Si
• SMILES: Cl[Si]1(Cl)CCCCC1
• Title of publication: Molecular structures of various alkyldichlorosilanes in the solid state
• Authors of publication: Wagler, Jörg; Gericke, Robert
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.1265 ± 0.0006 Å
• b: 8.4569 ± 0.0006 Å
• c: 10.6073 ± 0.0008 Å
• α: 90°
• β: 90.733 ± 0.006°
• γ: 90°
• Cell volume: 818.62 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No