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Information card for entry 7713761
Preview
| Coordinates | 7713761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H42 Cl6 F6 Ir N4 O2 P S2 |
|---|---|
| Calculated formula | C55 H42 Cl6 F6 Ir N4 O2 P S2 |
| Title of publication | Two near-infrared phosphorescent iridium(III) complexes for detection of GSH and photodynamic therapy |
| Authors of publication | Tu, Rui; Liu, Jie; Chen, Weibin; Fu, Fengfu; Li, Mei-Jin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 13.3845 ± 0.0009 Å |
| b | 36.264 ± 0.003 Å |
| c | 13.5902 ± 0.0009 Å |
| α | 90° |
| β | 114.576 ± 0.002° |
| γ | 90° |
| Cell volume | 5998.8 ± 0.8 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 9 |
| 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 | 0.0946 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285837 (current) | 2023-08-23 | cif/ Adding structures of 7713761 via cif-deposit CGI script. |
7713761.cif |
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