Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556706
Preview
| Coordinates | 1556706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 Cl2 Cu N4 O2 |
|---|---|
| Calculated formula | C10 H16 Cl2 Cu N4 O2 |
| SMILES | c1[n]2c(C(=[NH][Cu]2([OH]CC)(Cl)Cl)OCC)c(C#N)n1C |
| Title of publication | Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis |
| Authors of publication | Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 87 |
| a | 5.6535 ± 0.0005 Å |
| b | 10.3149 ± 0.0008 Å |
| c | 13.5498 ± 0.001 Å |
| α | 108.336 ± 0.003° |
| β | 95.921 ± 0.003° |
| γ | 98.615 ± 0.003° |
| Cell volume | 732.01 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245501 (current) | 2019-12-23 | cif/ Adding structures of 1556706 via cif-deposit CGI script. |
1556706.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.