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Information card for entry 7048562
Preview
| Coordinates | 7048562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H28 Cu N6 O14 S2 |
|---|---|
| Calculated formula | C20 H28 Cu N6 O14 S2 |
| SMILES | c1(ccccc1S(=O)(=O)[O-])NN=C(C(N)=[O][Cu]([OH2])([OH2])([O]=C(C(C(=O)C)=NNc1ccccc1S(=O)(=O)[O-])N)([OH2])[OH2])C(=O)C |
| 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 | 9.589 ± 0.002 Å |
| b | 13.188 ± 0.003 Å |
| c | 11.558 ± 0.002 Å |
| α | 90° |
| β | 108.545 ± 0.004° |
| γ | 90° |
| Cell volume | 1385.7 ± 0.5 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
7048562.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. |
7048562.cif |
| 212966 | 2019-01-11 | cif/ Adding structures of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 via cif-deposit CGI script. |
7048562.cif |
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