Information card for entry 7105517

Structure parameters

• Formula: C18 H19 Cl4 N3 O4 Si
• Calculated formula: C18 H19 Cl4 N3 O4 Si
• SMILES: [Si]12([O]=c3n(C1)c(Cl)ccc3)([O]=c1n(C2)c(Cl)ccc1)C.Clc1nc(O)ccc1.[Cl-].O
• Title of publication: Four independent structures of a pentacoordinate silicon species at different points on the Berry pseudorotation pathway
• Authors of publication: Bassindale, Alan R.; Sohail, M.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 3274 - 3276
• a: 7.6414 ± 0.0008 Å
• b: 21.915 ± 0.002 Å
• c: 12.8697 ± 0.0014 Å
• α: 90°
• β: 96.267 ± 0.002°
• γ: 90°
• Cell volume: 2142.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No