Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566377
Preview
| Coordinates | 1566377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H21 Cl2 Co N3 |
|---|---|
| Calculated formula | C15 H21 Cl2 Co N3 |
| SMILES | [Co]12(Cl)(Cl)[NH](c3cccc4ccc[n]1c34)CC[N]2(CC)CC |
| Title of publication | Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts |
| Authors of publication | Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 1843 - 1849 |
| a | 16.65 ± 0.0009 Å |
| b | 24.8705 ± 0.0012 Å |
| c | 7.9667 ± 0.0005 Å |
| α | 90° |
| β | 90.49 ± 0.002° |
| γ | 90° |
| Cell volume | 3298.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274940 (current) | 2022-05-05 | cif/ Updating files of 1566376, 1566377 Original log message: Adding full bibliography for 1566376--1566377.cif. |
1566377.cif |
| 273029 | 2022-02-19 | cif/ Adding structures of 1566376, 1566377 via cif-deposit CGI script. |
1566377.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.