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Information card for entry 4069027
Preview
| Coordinates | 4069027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H28 N2 O3 S Si |
|---|---|
| Calculated formula | C29 H28 N2 O3 S Si |
| SMILES | c1(ccccc1)[Si]123([N](c4c(cccc4)S3)=C(C)C=C(C)O1)OC(=CC(C)=[O]2)c1ccccc1.C(#N)C |
| Title of publication | Neutral Hexacoordinate Silicon(iv) Complexes with anSiSO3NC Skeleton and a Neutral Pentacoordinate Silicon(iv) Complex Containing a Trianionic TetradentateO,N,O,OLigand |
| Authors of publication | Metz, Stefan; Burschka, Christian; Tacke, Reinhold |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 7 |
| Pages of publication | 2311 |
| a | 7.5963 ± 0.0002 Å |
| b | 11.4719 ± 0.0003 Å |
| c | 15.5091 ± 0.0004 Å |
| α | 80.172 ± 0.001° |
| β | 81.501 ± 0.001° |
| γ | 77.925 ± 0.001° |
| Cell volume | 1293.39 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4069027.cif |
| 178507 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/90. |
4069027.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069027.cif |
| 40098 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069025, 4069026, 4069027, 4069028 via cif-deposit CGI script. |
4069027.cif |
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Users of the data should acknowledge the original authors of the
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