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Information card for entry 7222990
Preview
| Coordinates | 7222990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H20 N3 O6 V |
|---|---|
| Calculated formula | C25 H20 N3 O6 V |
| SMILES | [V]123([n]4c5c(cccc5O1)ccc4)(=O)Oc1c(cc(cc1)OC)C(C)=[N]2N=C(c1ccccc1O)O3 |
| Title of publication | A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities |
| Authors of publication | Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.668 ± 0.003 Å |
| b | 14.153 ± 0.006 Å |
| c | 21.853 ± 0.01 Å |
| α | 90° |
| β | 96.86 ± 0.006° |
| γ | 90° |
| Cell volume | 2354.6 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1241 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Weighted residual factors for all reflections included in the refinement | 0.1767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222990.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222990.cif |
| 169407 | 2015-10-21 | cif/ Adding structures of 7222987, 7222988, 7222989, 7222990, 7222991 via cif-deposit CGI script. |
7222990.cif |
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Users of the data should acknowledge the original authors of the
structural data.