Information card for entry 7023055

Structure parameters

• Formula: C8 H14 I N O2 Si
• Calculated formula: C8 H14 I N O2 Si
• SMILES: C12CCCC(=O)[N+]=1C[Si](C)(C)O2.[I-]
• 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: 8.4342 ± 0.0003 Å
• b: 7.2543 ± 0.0002 Å
• c: 9.661 ± 0.0003 Å
• α: 90°
• β: 103.079 ± 0.002°
• γ: 90°
• Cell volume: 575.77 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No