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Information card for entry 7023055
Preview
Coordinates | 7023055.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H14 I N O2 Si |
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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 Å3 |
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 |
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