Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4347590
Preview
| Coordinates | 4347590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H42 Cl Co N P2 |
|---|---|
| Calculated formula | C20 H42 Cl Co N P2 |
| SMILES | [Co]12(Cl)[P](CCN2C=C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Square-Planar Cobalt(III) Pincer Complex. |
| Authors of publication | Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 4529 - 4536 |
| a | 8.3107 ± 0.0011 Å |
| b | 20.977 ± 0.003 Å |
| c | 14.3233 ± 0.0016 Å |
| α | 90° |
| β | 107.679 ± 0.007° |
| γ | 90° |
| Cell volume | 2379.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232395 (current) | 2019-11-23 | cif/ Adding structures of 4347590 via cif-deposit CGI script. |
4347590.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.