Information card for entry 4080369

Structure parameters

• Formula: C8 H12 Cl3 N O2 Si
• Calculated formula: C8 H12 Cl3 N O2 Si
• SMILES: [Si]1([O]=c2n(C1)c(Cl)ccc2)([OH2])(CCl)C.[Cl-]
• 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: 7.8386 ± 0.0005 Å
• b: 21.0217 ± 0.0013 Å
• c: 7.4554 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1228.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No