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Information card for entry 1577423
Preview
| Coordinates | 1577423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C412 H288 Cl2 Cu50 F72 P S |
|---|---|
| Calculated formula | C402 H276 Cu50 F72 P6 S36 |
| Title of publication | Ligand-Controlled Engineering of Cu–H Active Sites on Cu25 Hydride Nanoclusters for Efficient CO2 Electroreduction |
| Authors of publication | Xiang, Zongchen; Zuo, Yang; Zhai, Xinru; Ma, Along; Zhu, Yu; Kang, Yikun; Ma, Xiaoshuang; Wang, Shuxin |
| Journal of publication | Nanoscale |
| Year of publication | 2026 |
| a | 19.1237 ± 0.0008 Å |
| b | 19.9019 ± 0.001 Å |
| c | 32.3253 ± 0.0015 Å |
| α | 81.236 ± 0.002° |
| β | 85.898 ± 0.001° |
| γ | 65.669 ± 0.002° |
| Cell volume | 11078.8 ± 0.9 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306607 (current) | 2026-06-21 | cif/ Adding structures of 1577423 via cif-deposit CGI script. |
1577423.cif |
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Users of the data should acknowledge the original authors of the
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