Information card for entry 7042858

Structure parameters

• Chemical name: methyldichlorosilane
• Formula: C H4 Cl2 Si
• Calculated formula: C H4 Cl2 Si
• SMILES: Cl[SiH](Cl)C
• 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: 5.9079 ± 0.0015 Å
• b: 6.3658 ± 0.0015 Å
• c: 8.112 ± 0.002 Å
• α: 103.99 ± 0.02°
• β: 96.08 ± 0.02°
• γ: 116.596 ± 0.018°
• Cell volume: 256.52 ± 0.13 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No