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Information card for entry 1567511
Preview
| Coordinates | 1567511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H48 Ir N3 |
|---|---|
| Calculated formula | C69 H48 Ir N3 |
| Title of publication | Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes |
| Authors of publication | Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 18.08 ± 0.0005 Å |
| b | 18.3585 ± 0.0007 Å |
| c | 19.0127 ± 0.0007 Å |
| α | 68.335 ± 0.003° |
| β | 85.431 ± 0.003° |
| γ | 64.368 ± 0.003° |
| Cell volume | 5263.6 ± 0.4 Å3 |
| Cell temperature | 139.99 ± 0.1 K |
| Ambient diffraction temperature | 139.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1771 |
| Residual factor for significantly intense reflections | 0.1321 |
| Weighted residual factors for significantly intense reflections | 0.3576 |
| Weighted residual factors for all reflections included in the refinement | 0.3936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.402 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277345 (current) | 2022-08-23 | cif/ Adding structures of 1567507, 1567508, 1567509, 1567510, 1567511, 1567512 via cif-deposit CGI script. |
1567511.cif |
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Users of the data should acknowledge the original authors of the
structural data.