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Information card for entry 1575828
Preview
| Coordinates | 1575828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cu4 S2.08 Se1.919 Ti |
|---|---|
| Calculated formula | Cu3.998 S2.08 Se1.92 Ti |
| Title of publication | Construction of a homologous series of metal nanoclusters and its implications for structure-activity correlations |
| Authors of publication | Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 5.5251 ± 0.0001 Å |
| b | 5.5251 ± 0.0001 Å |
| c | 5.5251 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 168.663 ± 0.005 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 215 |
| Hermann-Mauguin space group symbol | P -4 3 m |
| Hall space group symbol | P -4 2 3 |
| Residual factor for all reflections | 0.0226 |
| Residual factor for significantly intense reflections | 0.0192 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for significantly intense reflections | 1.75 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.67 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302183 (current) | 2025-09-19 | cif/ Adding structures of 1575828, 1575829, 1575830 via cif-deposit CGI script. |
1575828.cif |
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Users of the data should acknowledge the original authors of the
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