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Information card for entry 1557717
Preview
| Coordinates | 1557717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ACC_73_150K |
|---|---|
| Formula | C27.75 H28.75 Cl2.25 F6 Ir N2 P |
| Calculated formula | C27.75 H28.75 Cl2.25 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 | 8.8214 ± 0.0002 Å |
| b | 12.811 ± 0.0004 Å |
| c | 13.5282 ± 0.0004 Å |
| α | 81.1829 ± 0.0016° |
| β | 82.9683 ± 0.0014° |
| γ | 87.8789 ± 0.0015° |
| Cell volume | 1499.15 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249976 (current) | 2020-04-03 | cif/ Adding structures of 1557717 via cif-deposit CGI script. |
1557717.cif |
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Users of the data should acknowledge the original authors of the
structural data.