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Information card for entry 7713454
Preview
| Coordinates | 7713454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ir(phpyr)2tmd |
|---|---|
| Formula | C49 H43 Ir N2 O2 |
| Calculated formula | C49 H43 Ir N2 O2 |
| Title of publication | Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties |
| Authors of publication | Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 17.417 ± 0.002 Å |
| b | 11.2309 ± 0.0014 Å |
| c | 20.539 ± 0.004 Å |
| α | 90° |
| β | 94.769 ± 0.001° |
| γ | 90° |
| Cell volume | 4003.7 ± 1 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285190 (current) | 2023-07-13 | cif/ Adding structures of 7713454, 7713455, 7713456, 7713457, 7713458, 7713459 via cif-deposit CGI script. |
7713454.cif |
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Users of the data should acknowledge the original authors of the
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