Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085554
Preview
| Coordinates | 4085554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H72 Co N4 Si2 |
|---|---|
| Calculated formula | C45 H72 Co N4 Si2 |
| SMILES | C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Co](Nc1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene |
| Authors of publication | Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2429 |
| a | 13.1559 ± 0.0004 Å |
| b | 18.4135 ± 0.0006 Å |
| c | 20.8768 ± 0.0005 Å |
| α | 90° |
| β | 114.84 ± 0.002° |
| γ | 90° |
| Cell volume | 4589.4 ± 0.2 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 | 0.0796 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178744 (current) | 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 4/08/55. |
4085554.cif |
| 140226 | 2015-07-05 | cif/ Updating files of 4085549, 4085550, 4085551, 4085552, 4085553, 4085554, 4085555, 4085556, 4085557 Original log message: Adding full bibliography for 4085549--4085557.cif. |
4085554.cif |
| 132396 | 2015-02-25 | cif/ Adding structures of 4085549, 4085550, 4085551, 4085552, 4085553, 4085554, 4085555, 4085556, 4085557 via cif-deposit CGI script. |
4085554.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.