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Information card for entry 1567507
Preview
| Coordinates | 1567507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H50 Cl2 Ir N3 |
|---|---|
| Calculated formula | C70 H50 Cl2 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 | 13.85396 ± 0.00012 Å |
| b | 14.21567 ± 0.00012 Å |
| c | 14.60645 ± 0.00014 Å |
| α | 100.275 ± 0.0008° |
| β | 100.655 ± 0.0008° |
| γ | 105.286 ± 0.0007° |
| Cell volume | 2647.62 ± 0.04 Å3 |
| Cell temperature | 139.99 ± 0.1 K |
| Ambient diffraction temperature | 139.99 ± 0.1 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 | 0.0163 |
| Residual factor for significantly intense reflections | 0.0161 |
| Weighted residual factors for significantly intense reflections | 0.0401 |
| Weighted residual factors for all reflections included in the refinement | 0.0402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1567507.cif |
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Users of the data should acknowledge the original authors of the
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