Information card for entry 7023054

Structure parameters

• Formula: C9 H14 F3 N O5 S Si
• Calculated formula: C9 H14 F3 N O5 S Si
• SMILES: C1(=O)CCCC2N1C[Si](C)(C)([O]=2)OS(=O)(=O)C(F)(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: 8.3636 ± 0.0002 Å
• b: 8.8564 ± 0.0004 Å
• c: 18.6451 ± 0.0008 Å
• α: 91.671 ± 0.002°
• β: 94.616 ± 0.003°
• γ: 93.374 ± 0.003°
• Cell volume: 1373.41 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No