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Information card for entry 7222987
Preview
| Coordinates | 7222987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17.5 H19 N2 O4.5 |
|---|---|
| Calculated formula | C17.5 H19 N2 O4.5 |
| SMILES | N(=C(c1c(O)ccc(OC)c1)\C)\NC(=O)c1c(O)cccc1.CC(=O)C |
| 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 | 12.1814 ± 0.0014 Å |
| b | 12.8382 ± 0.0018 Å |
| c | 13.3641 ± 0.0015 Å |
| α | 112.586 ± 0.012° |
| β | 96.537 ± 0.01° |
| γ | 117.044 ± 0.013° |
| Cell volume | 1609.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1663 |
| Residual factor for significantly intense reflections | 0.094 |
| Weighted residual factors for significantly intense reflections | 0.1706 |
| Weighted residual factors for all reflections included in the refinement | 0.2107 |
| 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 |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7222987.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. |
7222987.cif |
| 169407 | 2015-10-21 | cif/ Adding structures of 7222987, 7222988, 7222989, 7222990, 7222991 via cif-deposit CGI script. |
7222987.cif |
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Users of the data should acknowledge the original authors of the
structural data.