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Information card for entry 1576064
Preview
| Coordinates | 1576064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H36 Cu4 I4 N4 O4 |
|---|---|
| Calculated formula | C44 H36 Cu4 I4 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 | 25.128 ± 0.003 Å |
| b | 9.0436 ± 0.001 Å |
| c | 21.557 ± 0.002 Å |
| α | 90° |
| β | 101.525 ± 0.005° |
| γ | 90° |
| Cell volume | 4800 ± 0.9 Å3 |
| Cell temperature | 298.99 K |
| Ambient diffraction temperature | 298.99 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
1576064.cif |
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Users of the data should acknowledge the original authors of the
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