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Information card for entry 7023055
Preview
| Coordinates | 7023055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179935 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/30. |
7023055.cif |
| 171494 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing publication details from _chemical_name_systematic and _chemical_name_common tag values in multiple entries. |
7023055.cif |
| 90418 | 2013-11-17 | cif/ Adding structures of 7023053, 7023054, 7023055, 7023056, 7023057, 7023058 via cif-deposit CGI script. |
7023055.cif |
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Users of the data should acknowledge the original authors of the
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