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Information card for entry 7129567
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| Coordinates | 7129567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H20 S6 |
|---|---|
| Calculated formula | C38 H20 S6 |
| Title of publication | A Cationic Sulfur-Hydrocarbon Triradical with an Excited Quartet State |
| Authors of publication | Tang, Shuxuan; Ruan, Huapeng; Hu, Zhao-Bo; Zhao, Yue; Song, You; Wang, Xinping |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 12.143 ± 0.003 Å |
| b | 12.143 ± 0.003 Å |
| c | 11.827 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1510.3 ± 0.7 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 3 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.1841 |
| Residual factor for significantly intense reflections | 0.1345 |
| Weighted residual factors for significantly intense reflections | 0.2684 |
| Weighted residual factors for all reflections included in the refinement | 0.2978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272040 (current) | 2022-01-15 | cif/ Adding structures of 7129567, 7129568, 7129569 via cif-deposit CGI script. |
7129567.cif |
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Users of the data should acknowledge the original authors of the
structural data.