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Information card for entry 8000321
Preview
| Coordinates | 8000321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H56 Cl Ir N6 |
|---|---|
| Calculated formula | C60 H56 Cl Ir N6 |
| Title of publication | Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design. |
| Authors of publication | Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N. |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2019 |
| Pages of publication | 7015 - 7024 |
| a | 15.7708 ± 0.0004 Å |
| b | 18.1452 ± 0.0005 Å |
| c | 20.416 ± 0.0006 Å |
| α | 75.089 ± 0.002° |
| β | 68.707 ± 0.003° |
| γ | 78.676 ± 0.002° |
| Cell volume | 5225.7 ± 0.3 Å3 |
| Cell temperature | 123 ± 0.19 K |
| Ambient diffraction temperature | 123 ± 0.19 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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 |
|---|---|---|---|
| 222182 (current) | 2019-11-04 | cif/ Adding structures of 8000321 via cif-deposit CGI script. |
8000321.cif |
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Users of the data should acknowledge the original authors of the
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