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Information card for entry 7154720
Preview
| Coordinates | 7154720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl2 Fe N3 O |
|---|---|
| Calculated formula | C18 H14 Cl2 Fe N3 O |
| SMILES | [Fe]12(Cl)(Cl)Oc3c(C=[N]1N(c1[n]2cccc1)c1ccccc1)cccc3 |
| Title of publication | Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity. |
| Authors of publication | Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 47 |
| Pages of publication | 11445 - 11458 |
| a | 8.7569 ± 0.0006 Å |
| b | 17.2402 ± 0.0013 Å |
| c | 12.0556 ± 0.0009 Å |
| α | 90° |
| β | 103.439 ± 0.004° |
| γ | 90° |
| Cell volume | 1770.2 ± 0.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
7154720.cif |
| 171348 | 2015-12-09 | cif/ Updating files of 7154720, 7154721, 7154722, 7154723 Original log message: Adding full bibliography for 7154720--7154723.cif. |
7154720.cif |
| 157789 | 2015-09-18 | cif/ Adding structures of 7154720, 7154721, 7154722, 7154723 via cif-deposit CGI script. |
7154720.cif |
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Users of the data should acknowledge the original authors of the
structural data.