Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241903
Preview
| Coordinates | 7241903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-[bis(u-cyano)-cyano-tetrakis(1-methylimidazole)-nitrosyl-iron-copper] |
|---|---|
| Formula | C21 H24 Cu Fe N14 O |
| Calculated formula | C21 H24 Cu Fe N14 O |
| Title of publication | A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations |
| Authors of publication | Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 5 |
| Pages of publication | 1158 - 1171 |
| a | 9.167 ± 0.0005 Å |
| b | 10.2296 ± 0.0005 Å |
| c | 15.6179 ± 0.0008 Å |
| α | 73.752 ± 0.004° |
| β | 80.35 ± 0.004° |
| γ | 84.476 ± 0.004° |
| Cell volume | 1384.29 ± 0.13 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262575 (current) | 2021-03-05 | cif/ Updating files of 7241902, 7241903, 7241904, 7241905, 7241906 Original log message: Adding full bibliography for 7241902--7241906.cif. |
7241903.cif |
| 260026 | 2020-12-20 | cif/ Adding structures of 7241902, 7241903, 7241904, 7241905, 7241906 via cif-deposit CGI script. |
7241903.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.