Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7057630
Preview
| Coordinates | 7057630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H26 Cu N4 O3 S |
|---|---|
| Calculated formula | C34 H26 Cu N4 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 | 10.0829 ± 0.0018 Å |
| b | 16.324 ± 0.003 Å |
| c | 16.992 ± 0.003 Å |
| α | 90° |
| β | 97.003 ± 0.003° |
| γ | 90° |
| Cell volume | 2775.9 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
7057630.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. |
7057630.cif |
| 209536 | 2018-08-10 | cif/ Adding structures of 7057629, 7057630, 7057631, 7057632, 7057633, 7057634, 7057635 via cif-deposit CGI script. |
7057630.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.