Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247393
Preview
| Coordinates | 7247393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H42 Cu3 I5 N4 |
|---|---|
| Calculated formula | C28 H42 Cu3 I5 N4 |
| SMILES | [I]1[Cu]234([I]5[Cu]613([I][Cu]456([I]2)I)[N]12CC[N+](CC1)(Cc1ccc(C)cc1)CC2)[N]12CC[N+](Cc3ccc(cc3)C)(CC1)CC2 |
| Title of publication | Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand |
| Authors of publication | Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 40 |
| Pages of publication | 5722 - 5729 |
| a | 10.1442 ± 0.0005 Å |
| b | 10.9745 ± 0.0006 Å |
| c | 17.6401 ± 0.0009 Å |
| α | 86.956 ± 0.003° |
| β | 83.873 ± 0.003° |
| γ | 88.591 ± 0.002° |
| Cell volume | 1949.5 ± 0.18 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.097 |
| Residual factor for significantly intense reflections | 0.0817 |
| Weighted residual factors for significantly intense reflections | 0.2356 |
| Weighted residual factors for all reflections included in the refinement | 0.2512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287349 (current) | 2023-11-06 | cif/ Updating files of 7247393, 7247394, 7247395, 7247396, 7247397 Original log message: Adding full bibliography for 7247393--7247397.cif. |
7247393.cif |
| 286344 | 2023-09-15 | cif/ Adding structures of 7247393, 7247394, 7247395, 7247396, 7247397 via cif-deposit CGI script. |
7247393.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.