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Information card for entry 7112087
Preview
| Coordinates | 7112087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H22 B2 Br2 Cl2 F2 Fe N6 O6 |
|---|---|
| Calculated formula | C31 H22 B2 Br2 Cl2 F2 Fe N6 O6 |
| Title of publication | Copper-promoted reductive homocoupling of quasi-aromatic iron(II) clathrochelates: boosting the inhibitory activity in a transcription assay |
| Authors of publication | O. A. Varzatskii; V. V. Novikov; S. V. Shulga; A. S. Belov; A. V. Vologzhanina; V. V. Negrutska; I. Y. Dubey; Yu. N. Bubnov; Ya. Z. Voloshin |
| Journal of publication | Chem. Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3166 |
| a | 13.913 ± 0.002 Å |
| b | 17.521 ± 0.002 Å |
| c | 16.0443 ± 0.0017 Å |
| α | 90° |
| β | 96.463 ± 0.004° |
| γ | 90° |
| Cell volume | 3886.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1822 |
| Weighted residual factors for all reflections included in the refinement | 0.1952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112087.cif |
| 180234 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20. |
7112087.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7112087.cif |
| 104630 | 2014-03-11 | cif/ Adding structures of 7112087, 7112088, 7112089 via cif-deposit CGI script. |
7112087.cif |
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Users of the data should acknowledge the original authors of the
structural data.