Information card for entry 4116847

Structure parameters

• Formula: C12 H16 Cl2 N2 Si
• Calculated formula: C12 H16 Cl2 N2 Si
• SMILES: c1c(ccc[n]1[SiH2](Cl)([n]1cc(ccc1)C)Cl)C
• Title of publication: Experimental Investigations and ab Initio Studies on Hexacoordinated Complexes of Dichlorosilane
• Authors of publication: Karl Hensen; Thorsten Stumpf; Michael Bolte; Christian Näther; Holger Fleischer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 10402 - 10408
• a: 6.0174 ± 0.0002 Å
• b: 7.5422 ± 0.0003 Å
• c: 8.5744 ± 0.0003 Å
• α: 65.954 ± 0.001°
• β: 76.746 ± 0.001°
• γ: 77.881 ± 0.001°
• Cell volume: 342.92 ± 0.02 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No