Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123171
Preview
| Coordinates | 7123171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H6 Cl3 Cu3 N6 |
|---|---|
| Calculated formula | C9 H6 Cl3 Cu3 N6 |
| Title of publication | A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit |
| Authors of publication | Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 17.3175 ± 0.0005 Å |
| b | 8.5617 ± 0.0003 Å |
| c | 18.9646 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2811.83 ± 0.16 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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 |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123171.cif |
| 214275 | 2019-03-22 | cif/ Adding structures of 7123171, 7123172, 7123173, 7123174 via cif-deposit CGI script. |
7123171.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.