Information card for entry 7042859

Structure parameters

• Chemical name: 1,1-dichlorosilacyclobutane
• Formula: C3 H6 Cl2 Si
• Calculated formula: C3 H6 Cl2 Si
• SMILES: Cl[Si]1(Cl)CCC1
• 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: 6.4048 ± 0.0004 Å
• b: 11.3618 ± 0.0005 Å
• c: 8.9222 ± 0.0006 Å
• α: 90°
• β: 94.432 ± 0.005°
• γ: 90°
• Cell volume: 647.33 ± 0.07 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No