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Information card for entry 1557720
Preview
| Coordinates | 1557720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ACC_25_LT |
|---|---|
| Formula | C26 H26 F6 Ir N2 P |
| Calculated formula | C26 H26 F6 Ir N2 P |
| Title of publication | Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. |
| Authors of publication | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2020 |
| a | 15.2558 ± 0.0009 Å |
| b | 10.7013 ± 0.0007 Å |
| c | 15.9682 ± 0.001 Å |
| α | 90° |
| β | 110.221 ± 0.003° |
| γ | 90° |
| Cell volume | 2446.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0736 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249979 (current) | 2020-04-03 | cif/ Adding structures of 1557720 via cif-deposit CGI script. |
1557720.cif |
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Users of the data should acknowledge the original authors of the
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