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Information card for entry 4069025
Preview
| Coordinates | 4069025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N2 O3 S Si |
|---|---|
| Calculated formula | C24 H26 N2 O3 S Si |
| SMILES | c1(ccccc1)[Si]123([N](=C(C=C(C)O2)C)c2ccccc2S3)[O]=C(C=C(O1)C)C.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 | 7.5308 ± 0.0007 Å |
| b | 11.6477 ± 0.0012 Å |
| c | 14.5508 ± 0.0016 Å |
| α | 106.609 ± 0.004° |
| β | 101.44 ± 0.004° |
| γ | 102.127 ± 0.004° |
| Cell volume | 1149.4 ± 0.2 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 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 | 0.0713 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| 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. |
4069025.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. |
4069025.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069025.cif |
| 40098 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069025, 4069026, 4069027, 4069028 via cif-deposit CGI script. |
4069025.cif |
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Users of the data should acknowledge the original authors of the
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