Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1576063
Preview
| Coordinates | 1576063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H36 Cu2 I2 N4 O4 |
|---|---|
| Calculated formula | C44 H36 Cu2 I2 N4 O4 |
| Title of publication | Regulating charge transfer of copper(I) coordination compounds via conformation engineering for highly-efficient radioluminescence and 3D X-ray imaging |
| Authors of publication | Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shu-Juan; Zhao, Qiang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.804 ± 0.002 Å |
| b | 18.111 ± 0.004 Å |
| c | 13.654 ± 0.003 Å |
| α | 90° |
| β | 105.923 ± 0.006° |
| γ | 90° |
| Cell volume | 2093.6 ± 0.8 Å3 |
| Cell temperature | 293.77 K |
| Ambient diffraction temperature | 293.77 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302988 (current) | 2025-10-24 | cif/ Adding structures of 1576063, 1576064, 1576065 via cif-deposit CGI script. |
1576063.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.