Information card for entry 4080367

Structure parameters

• Formula: C8 H10 Cl3 N O Si
• Calculated formula: C8 H10 Cl3 N O Si
• SMILES: [Si]1(Cl)([O]=c2n(C1)c(Cl)ccc2)(CCl)C
• Title of publication: Synthesis and Hydrolysis‒Condensation Study of Water-Soluble Self-Assembled Pentacoordinate Polysilylamides
• Authors of publication: Sohail, Muhammad; Bassindale, Alan R.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1721
• a: 8.6868 ± 0.0007 Å
• b: 14.4742 ± 0.0012 Å
• c: 9.3571 ± 0.0008 Å
• α: 90°
• β: 105.293 ± 0.002°
• γ: 90°
• Cell volume: 1134.85 ± 0.16 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: 0.0615
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No