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Information card for entry 1558071
Preview
| Coordinates | 1558071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 Cl F6 Ir N3 O P |
|---|---|
| Calculated formula | C26 H26 Cl F6 Ir N3 O P |
| SMILES | Cl[Ir]12345([n]6ccccc6N=[N]1c1ccc(O)cc1)[c]1(c6ccccc6)[c]2([c]3([c]4([c]51C)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Ligand-centred redox activation of inert organoiridium anticancer catalysts |
| Authors of publication | Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 21 |
| Pages of publication | 5466 - 5480 |
| a | 8.71914 ± 0.00018 Å |
| b | 9.9018 ± 0.0002 Å |
| c | 15.7288 ± 0.0003 Å |
| α | 89.3248 ± 0.0016° |
| β | 78.0376 ± 0.0016° |
| γ | 88.7062 ± 0.0017° |
| Cell volume | 1328.09 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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 |
|---|---|---|---|
| 257399 (current) | 2020-10-06 | cif/ Updating files of 1558064, 1558065, 1558066, 1558067, 1558068, 1558069, 1558070, 1558071 Original log message: Adding full bibliography for 1558064--1558071.cif. |
1558071.cif |
| 252746 | 2020-06-05 | cif/ Updating files of 1558064, 1558065, 1558066, 1558067, 1558068, 1558069, 1558070, 1558071 Original log message: Adding full bibliography for 1558064--1558071.cif. |
1558071.cif |
| 252068 | 2020-05-16 | cif/ Adding structures of 1558064, 1558065, 1558066, 1558067, 1558068, 1558069, 1558070, 1558071 via cif-deposit CGI script. |
1558071.cif |
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