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Information card for entry 7707209
Preview
| Coordinates | 7707209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H64 Cl6 Ir2 N8 |
|---|---|
| Calculated formula | C108 H64 Cl6 Ir2 N8 |
| SMILES | [Ir]123([Cl][Ir]45([Cl]1)([n]1c6c(n(c1c1ccc(Cl)cc51)c1ccccc1)c1c(c5c6cccc5)cccc1)[n]1c(n(c5ccccc5)c5c1c1ccccc1c1c5cccc1)c1c4cc(Cl)cc1)([n]1c4c(n(c5ccccc5)c1c1ccc(Cl)cc31)c1c(c3c4cccc3)cccc1)[n]1c(n(c3c1c1c(c4c3cccc4)cccc1)c1ccccc1)c1c2cc(Cl)cc1 |
| Title of publication | Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes. |
| Authors of publication | Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 20 |
| Pages of publication | 6889 - 6900 |
| a | 17.8595 ± 0.0011 Å |
| b | 18.4756 ± 0.001 Å |
| c | 19.4513 ± 0.0011 Å |
| α | 69.415 ± 0.002° |
| β | 64.151 ± 0.002° |
| γ | 79.109 ± 0.002° |
| Cell volume | 5402.4 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 266039 (current) | 2021-06-05 | cif/ Updating files of 7707205, 7707206, 7707207, 7707208, 7707209, 7707210, 7707211, 7707212, 7707213, 7707214, 7707215, 7707216, 7707217, 7707218 Original log message: Adding full bibliography for 7707205--7707218.cif. |
7707209.cif |
| 264609 | 2021-04-28 | cif/ Adding structures of 7707205, 7707206, 7707207, 7707208, 7707209, 7707210, 7707211, 7707212, 7707213, 7707214, 7707215, 7707216, 7707217, 7707218 via cif-deposit CGI script. |
7707209.cif |
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Users of the data should acknowledge the original authors of the
structural data.