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Information card for entry 7707214
Preview
| Coordinates | 7707214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H76 Cl2 Ir2 N8 O4 |
|---|---|
| Calculated formula | C112 H76 Cl2 Ir2 N8 O4 |
| SMILES | [Ir]123([Cl][Ir]45([Cl]1)([n]1c(n(c6c1c1ccccc1c1c6cccc1)c1ccccc1)c1ccc(OC)cc51)[n]1c5c6ccccc6c6c(c5n(c1c1c4cc(OC)cc1)c1ccccc1)cccc6)([n]1c4c5c(c6c(c4n(c1c1c3cc(OC)cc1)c1ccccc1)cccc6)cccc5)[n]1c(n(c3ccccc3)c3c1c1ccccc1c1c3cccc1)c1c2cc(OC)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 | 13.8139 ± 0.0005 Å |
| b | 19.0358 ± 0.0008 Å |
| c | 20.5748 ± 0.0007 Å |
| α | 73.412 ± 0.001° |
| β | 70.691 ± 0.001° |
| γ | 74.102 ± 0.001° |
| Cell volume | 4796.1 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7707214.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. |
7707214.cif |
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Users of the data should acknowledge the original authors of the
structural data.