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Information card for entry 4068914
Preview
| Coordinates | 4068914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C29 H40 Cl2 N2 Si |
|---|---|
| Calculated formula | C29 H40 Cl2 N2 Si |
| SMILES | Cl[Si]1(N(C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)=C)c1c(cccc1C(C)C)C(C)C)Cl |
| Title of publication | Reactivity of a Zwitterionic Stable Silylene toward Halosilanes and Haloalkanes |
| Authors of publication | Xiong, Yun; Yao, Shenglai; Driess, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 6 |
| Pages of publication | 1927 |
| a | 17.0459 ± 0.0006 Å |
| b | 13.1535 ± 0.0004 Å |
| c | 13.6811 ± 0.0005 Å |
| α | 90° |
| β | 109.111 ± 0.001° |
| γ | 90° |
| Cell volume | 2898.42 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1056 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| 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. |
4068914.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4068914.cif |
| 178579 | 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 4/06/89. |
4068914.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068914.cif |
| 40039 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068911, 4068912, 4068913, 4068914, 4068915, 4068916 via cif-deposit CGI script. |
4068914.cif |
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Users of the data should acknowledge the original authors of the
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