Information card for entry 4080368

Structure parameters

• Formula: C9 H17 Cl2 N O3 Si
• Calculated formula: C9 H17 Cl2 N O3 Si
• SMILES: [Si]1([OH2])([O]=c2n(C1)c(ccc2)C)(CCl)C.[Cl-].O
• 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: 11.806 ± 0.0009 Å
• b: 8.8251 ± 0.0007 Å
• c: 13.1856 ± 0.001 Å
• α: 90°
• β: 99.413 ± 0.001°
• γ: 90°
• Cell volume: 1355.3 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0725
• 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