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Information card for entry 1574063
Preview
| Coordinates | 1574063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H69 Cs4 O3 |
|---|---|
| Calculated formula | C84 H69 Cs4 O3 |
| Title of publication | Signatures of quantum spin liquid state in triangular-based zig-zag polyaromatic hydrocarbon radicals |
| Authors of publication | Shen, Yongbing; Cui, Mengxing; Zhang, Haitao; Guo, Hanjie; Nakamura, Jumpei G.; Embs, Jan Peter Peter; Zhao, Jing Kui; Yamashita, Masahiro; Fu, Zhen-Dong |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.3931 ± 0.0003 Å |
| b | 13.0388 ± 0.0003 Å |
| c | 22.218 ± 0.0007 Å |
| α | 75.614 ± 0.002° |
| β | 85.704 ± 0.002° |
| γ | 77.205 ± 0.002° |
| Cell volume | 3390.55 ± 0.16 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1345 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298307 (current) | 2025-03-07 | cif/ Adding structures of 1574063 via cif-deposit CGI script. |
1574063.cif |
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Users of the data should acknowledge the original authors of the
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