Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084378
Preview
| Coordinates | 4084378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H32 Cl2 N2 Si |
|---|---|
| Calculated formula | C23 H32 Cl2 N2 Si |
| SMILES | [SiH]1(Cl)(Cl)[N](=C(N1C(C)(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C |
| Title of publication | From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes |
| Authors of publication | Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 19 |
| Pages of publication | 5272 |
| a | 15.8302 ± 0.0001 Å |
| b | 16.9366 ± 0.0001 Å |
| c | 18.3875 ± 0.0001 Å |
| α | 90° |
| β | 103.728 ± 0.001° |
| γ | 90° |
| Cell volume | 4789.04 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084378.cif |
| 178732 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/43. |
4084378.cif |
| 127222 | 2014-11-12 | cif/ Updating files of 4084377, 4084378, 4084379, 4084380, 4084381 Original log message: Adding full bibliography for 4084377--4084381.cif. |
4084378.cif |
| 124076 | 2014-09-20 | cif/ Adding structures of 4084377, 4084378, 4084379, 4084380, 4084381 via cif-deposit CGI script. |
4084378.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.