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Information card for entry 7222991
Preview
| Coordinates | 7222991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H17 Cl N3 O5 V |
|---|---|
| Calculated formula | C24 H17 Cl N3 O5 V |
| SMILES | c12ccc(cc1C(C)=[N]1N=C(c3ccccc3O)O[V]31([n]1c4c(cccc4ccc1)O3)(=O)O2)Cl |
| 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 | 8.3143 ± 0.0006 Å |
| b | 11.3015 ± 0.0007 Å |
| c | 12.1012 ± 0.0008 Å |
| α | 72.559 ± 0.006° |
| β | 84.859 ± 0.006° |
| γ | 76.042 ± 0.006° |
| Cell volume | 1052.59 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0751 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
| 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. |
7222991.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. |
7222991.cif |
| 169407 | 2015-10-21 | cif/ Adding structures of 7222987, 7222988, 7222989, 7222990, 7222991 via cif-deposit CGI script. |
7222991.cif |
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Users of the data should acknowledge the original authors of the
structural data.