Information card for entry 7023058

Structure parameters

• Formula: C6 H8 F3 N O2 Si
• Calculated formula: C6 H8 F3 N O2 Si
• SMILES: [Si]1(F)(F)(F)[O]=C2N(C1)C(=O)CCC2
• Title of publication: Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.
• Authors of publication: Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10971 - 10981
• a: 11.1244 ± 0.0006 Å
• b: 9.2761 ± 0.0005 Å
• c: 7.9793 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 823.39 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No