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Information card for entry 1558068
Preview
| Coordinates | 1558068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 I2 Ir N3 |
|---|---|
| Calculated formula | C26 H26 I2 Ir N3 |
| SMILES | [Ir]12345(I)([N](=Nc6[n]1cccc6)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)c1ccccc1.[I-] |
| 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 | 9.1942 ± 0.0001 Å |
| b | 8.2158 ± 0.0001 Å |
| c | 33.7933 ± 0.0003 Å |
| α | 90° |
| β | 95.783 ± 0.001° |
| γ | 90° |
| Cell volume | 2539.68 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0262 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1558068.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. |
1558068.cif |
| 252068 | 2020-05-16 | cif/ Adding structures of 1558064, 1558065, 1558066, 1558067, 1558068, 1558069, 1558070, 1558071 via cif-deposit CGI script. |
1558068.cif |
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Users of the data should acknowledge the original authors of the
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