Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556709
Preview
| Coordinates | 1556709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H10 Br2 Cu N4 O |
|---|---|
| Calculated formula | C8 H10 Br2 Cu N4 O |
| SMILES | c1[n]2c(C(OCC)=[NH][Cu]2(Br)Br)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 | 7.3737 ± 0.0009 Å |
| b | 8.4147 ± 0.0011 Å |
| c | 10.6554 ± 0.0014 Å |
| α | 83.614 ± 0.005° |
| β | 76.079 ± 0.005° |
| γ | 75.706 ± 0.005° |
| Cell volume | 620.91 ± 0.14 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245504 (current) | 2019-12-23 | cif/ Adding structures of 1556709 via cif-deposit CGI script. |
1556709.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.