Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248200
Preview
| Coordinates | 7248200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 N2 Ni O2 |
|---|---|
| Calculated formula | C24 H18 N2 Ni O2 |
| SMILES | c12ccc3c(c1C=[N]1CC[N]4=Cc5c6ccccc6ccc5O[Ni]14O2)cccc3 |
| Title of publication | Unusual Ni⋯Ni interaction in Ni(ii) complexes as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron drugs |
| Authors of publication | Singh, Simranjeet; Choudhary, Mukesh |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2024 |
| a | 8.243 ± 0.004 Å |
| b | 13.068 ± 0.003 Å |
| c | 17.906 ± 0.005 Å |
| α | 99.85 ± 0.02° |
| β | 92.64 ± 0.08° |
| γ | 93.66 ± 0.07° |
| Cell volume | 1893.3 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289899 (current) | 2024-02-21 | cif/ Adding structures of 7248199, 7248200 via cif-deposit CGI script. |
7248200.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.