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Information card for entry 7057634
Preview
| Coordinates | 7057634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H30 Cu N5 O3 S |
|---|---|
| Calculated formula | C39 H30 Cu N5 O3 S |
| Title of publication | Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation |
| Authors of publication | Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 18 |
| Pages of publication | 15170 |
| a | 9.203 ± 0.003 Å |
| b | 12.352 ± 0.004 Å |
| c | 15.197 ± 0.005 Å |
| α | 70.384 ± 0.006° |
| β | 83.857 ± 0.005° |
| γ | 86.57 ± 0.005° |
| Cell volume | 1617.4 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0517 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7057634.cif |
| 230489 | 2019-11-17 | cif/ Updating files of 7057629, 7057630, 7057631, 7057632, 7057633, 7057634, 7057635 Original log message: Adding full bibliography for 7057629--7057635.cif. |
7057634.cif |
| 209536 | 2018-08-10 | cif/ Adding structures of 7057629, 7057630, 7057631, 7057632, 7057633, 7057634, 7057635 via cif-deposit CGI script. |
7057634.cif |
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Users of the data should acknowledge the original authors of the
structural data.