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Information card for entry 7048563
Preview
| Coordinates | 7048563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H58 Cu N8 O18 S2 |
|---|---|
| Calculated formula | C46 H58 Cu N8 O18 S2 |
| SMILES | CC(=O)C(=N\Nc1c(c2ccccc2cc1)S(=O)(=O)[O-])\C(=O)Nc1ccccc1.CN(C)C=O.[OH2][Cu]([OH2])([OH2])([OH2])([OH2])[OH2].CC(=O)/C(=N/Nc1c(c2ccccc2cc1)S(=O)(=O)[O-])C(=O)Nc1ccccc1.CN(C)C=O |
| 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 | 7.4839 ± 0.0011 Å |
| b | 11.1918 ± 0.0015 Å |
| c | 16.739 ± 0.003 Å |
| α | 106.232 ± 0.01° |
| β | 102.07 ± 0.01° |
| γ | 97.821 ± 0.01° |
| Cell volume | 1287.8 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.2432 |
| Residual factor for significantly intense reflections | 0.0916 |
| Weighted residual factors for significantly intense reflections | 0.1987 |
| Weighted residual factors for all reflections included in the refinement | 0.271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| 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. |
7048563.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. |
7048563.cif |
| 212966 | 2019-01-11 | cif/ Adding structures of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 via cif-deposit CGI script. |
7048563.cif |
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