Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8000427
Preview
| Coordinates | 8000427.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 | 7.214 ± 0.0004 Å |
| b | 18.8723 ± 0.0005 Å |
| c | 19.0253 ± 0.0005 Å |
| α | 89.557 ± 0.002° |
| β | 80.608 ± 0.004° |
| γ | 89.749 ± 0.004° |
| Cell volume | 2555.38 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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 |
|---|---|---|---|
| 248623 (current) | 2020-03-03 | cif/ Adding structures of 8000422, 8000423, 8000424, 8000425, 8000426, 8000427 via cif-deposit CGI script. |
8000427.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.