Information card for entry 1519918

Structure parameters

• Formula: C8 H10 Cl3 N O Si
• Calculated formula: C8 H10 Cl3 N O Si
• SMILES: c12cccc(n1C[Si](CCl)(C)([O]=2)Cl)Cl
• Title of publication: C8H10Cl3SiNO
• Authors of publication: Taylor, P. G.; Callear, Samantha K.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 607
• a: 8.7123 ± 0.0004 Å
• b: 14.4807 ± 0.0009 Å
• c: 9.3751 ± 0.0005 Å
• α: 90°
• β: 105.322 ± 0.003°
• γ: 90°
• Cell volume: 1140.72 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No