Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7707217
Preview
| Coordinates | 7707217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H113 Ir2 N15 O12 S |
|---|---|
| Calculated formula | C144 H113 Ir2 N15 O12 S |
| 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 | 14.2021 ± 0.0015 Å |
| b | 19.393 ± 0.002 Å |
| c | 23.025 ± 0.002 Å |
| α | 105.08 ± 0.003° |
| β | 101.124 ± 0.003° |
| γ | 90.032 ± 0.004° |
| Cell volume | 5999.5 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7707217.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. |
7707217.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.