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Information card for entry 1567836
Preview
| Coordinates | 1567836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C124 H56 Lu3 N5 Ni |
|---|---|
| Calculated formula | C124 H56 Lu3 N5 Ni |
| Title of publication | Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation |
| Authors of publication | Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing |
| Journal of publication | Nanoscale |
| Year of publication | 2022 |
| a | 25.1131 ± 0.0005 Å |
| b | 15.0135 ± 0.0003 Å |
| c | 19.6714 ± 0.0005 Å |
| α | 90° |
| β | 93.887 ± 0.001° |
| γ | 90° |
| Cell volume | 7399.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1303 |
| Residual factor for significantly intense reflections | 0.1197 |
| Weighted residual factors for significantly intense reflections | 0.3195 |
| Weighted residual factors for all reflections included in the refinement | 0.326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.7336 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278760 (current) | 2022-10-25 | cif/ Adding structures of 1567836, 1567837, 1567838 via cif-deposit CGI script. |
1567836.cif |
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