Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7048560
Preview
| Coordinates | 7048560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H10 N3 Na O5 S |
|---|---|
| Calculated formula | C10 H10 N3 Na O5 S |
| SMILES | c1(ccccc1N/N=C(\C(=O)N)C(=O)C)S(=O)(=O)[O-].[Na+] |
| Title of publication | Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction. |
| Authors of publication | Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 5 |
| Pages of publication | 1774 - 1785 |
| a | 5.9967 ± 0.0009 Å |
| b | 28.244 ± 0.005 Å |
| c | 7.6942 ± 0.0012 Å |
| α | 90° |
| β | 111.292 ± 0.005° |
| γ | 90° |
| Cell volume | 1214.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0511 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048560.cif |
| 223996 | 2019-11-07 | cif/ Updating files of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 Original log message: Adding full bibliography for 7048560--7048566.cif. |
7048560.cif |
| 212966 | 2019-01-11 | cif/ Adding structures of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 via cif-deposit CGI script. |
7048560.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.