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Information card for entry 8000422
Preview
| Coordinates | 8000422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cu3 N9 |
|---|---|
| Calculated formula | C24 H18 Cu3 N9 |
| Title of publication | Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes. |
| Authors of publication | Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2020 |
| Pages of publication | 2067 |
| a | 25.5422 ± 0.0007 Å |
| b | 10.3454 ± 0.0005 Å |
| c | 34.6772 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9163.3 ± 0.6 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1839 |
| Weighted residual factors for all reflections included in the refinement | 0.232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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 |
|---|---|---|---|
| 248623 (current) | 2020-03-03 | cif/ Adding structures of 8000422, 8000423, 8000424, 8000425, 8000426, 8000427 via cif-deposit CGI script. |
8000422.cif |
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Users of the data should acknowledge the original authors of the
structural data.