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Information card for entry 7045832
Preview
| Coordinates | 7045832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C101 H78 Cl10 Ir2 N22 O6 |
|---|---|
| Calculated formula | C101 H78 Cl10 Ir2 N22 O6 |
| Title of publication | Mitochondria-localising DNA-binding biscyclometalated phenyltriazole iridium(iii) dipyridophenazene complexes: syntheses and cellular imaging properties. |
| Authors of publication | Sreedharan, Sreejesh; Sinopoli, Alessandro; Jarman, Paul J.; Robinson, Darren; Clemmet, Christopher; Scattergood, Paul A.; Rice, Craig R.; Smythe, Carl G. W.; Thomas, James A.; Elliott, Paul I. P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 14 |
| Pages of publication | 4931 - 4940 |
| a | 13.6282 ± 0.0008 Å |
| b | 16.6165 ± 0.0011 Å |
| c | 22.7142 ± 0.0014 Å |
| α | 90° |
| β | 103.912 ± 0.002° |
| γ | 90° |
| Cell volume | 4992.8 ± 0.5 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1201 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045832.cif |
| 229762 | 2019-11-17 | cif/ Updating files of 7045832 Original log message: Adding full bibliography for 7045832.cif. |
7045832.cif |
| 206916 | 2018-03-13 | cif/ Adding structures of 7045832 via cif-deposit CGI script. |
7045832.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.