Information card for entry 7023056

Structure parameters

• Formula: C7 H11 F2 N O2 Si
• Calculated formula: C7 H11 F2 N O2 Si
• SMILES: C12CCCC(=O)N1C[Si](C)([O]=2)(F)F
• 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: 12.7138 ± 0.0004 Å
• b: 7.4295 ± 0.0003 Å
• c: 9.7496 ± 0.0004 Å
• α: 90°
• β: 92.419 ± 0.002°
• γ: 90°
• Cell volume: 920.1 ± 0.06 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: 0.0729
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No