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Information card for entry 7019107
Preview
| Coordinates | 7019107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cl Fe N6 O4 S4 |
|---|---|
| Calculated formula | C16 H16 Cl Fe N6 O4 S4 |
| SMILES | c1cccc2C=[N]3N=C(S[Fe]453([n]12)[n]1ccccc1C=[N]4N=C(S5)SC)SC.[O-]Cl(=O)(=O)=O |
| Title of publication | Heterocyclic dithiocarbazate iron chelators: Fe coordination chemistry and biological activity. |
| Authors of publication | Basha, Maram T.; Chartres, Jy D.; Pantarat, Namfon; Akbar Ali, Mohammad; Mirza, Aminul Huq; Kalinowski, Danuta S.; Richardson, Des R.; Bernhardt, Paul V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 21 |
| Pages of publication | 6536 - 6548 |
| a | 33.4374 ± 0.0017 Å |
| b | 8.858 ± 0.0004 Å |
| c | 14.8651 ± 0.001 Å |
| α | 90° |
| β | 90.851 ± 0.005° |
| γ | 90° |
| Cell volume | 4402.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179895 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/91. |
7019107.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019107.cif |
| 60440 | 2012-06-14 | cif/ Adding structures of 7019106, 7019107, 7019108, 7019109 via cif-deposit CGI script. |
7019107.cif |
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Users of the data should acknowledge the original authors of the
structural data.