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Information card for entry 7236014
Preview
| Coordinates | 7236014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H38 Cu2 N2 O14 S2 |
|---|---|
| Calculated formula | C32 H38 Cu2 N2 O14 S2 |
| SMILES | [Cu]123([N](c4c(S(=O)(=O)O1)cccc4)=Cc1c([O]2[Cu]24([O]3c3c(C=[N]4c4c(S(=O)(=O)O2)cccc4)cccc3OC)[OH]CC)c(OC)ccc1)[OH]CC.O.O |
| Title of publication | Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures |
| Authors of publication | Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 109 |
| Pages of publication | 90079 |
| a | 7.7522 ± 0.001 Å |
| b | 17.119 ± 0.002 Å |
| c | 13.2121 ± 0.0014 Å |
| α | 90° |
| β | 92.839 ± 0.004° |
| γ | 90° |
| Cell volume | 1751.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0357 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236014.cif |
| 233832 | 2019-11-23 | cif/ Adding structures of 7236010, 7236011, 7236012, 7236013, 7236014 via cif-deposit CGI script. |
7236014.cif |
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Users of the data should acknowledge the original authors of the
structural data.