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Information card for entry 1576099
Preview
| Coordinates | 1576099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H3 N O S2 |
|---|---|
| Calculated formula | C3 H3 N O S2 |
| Title of publication | Site-Selective Thionation and Doping Enabled Tunable Full-Color Emission in Nonconventional Luminophores |
| Authors of publication | Chen, Xiang; Tao, Siyu; Chen, ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang |
| Journal of publication | Materials Horizons |
| Year of publication | 2025 |
| a | 7.2223 ± 0.0006 Å |
| b | 7.5798 ± 0.0006 Å |
| c | 9.9313 ± 0.0008 Å |
| α | 90° |
| β | 102.849 ± 0.002° |
| γ | 90° |
| Cell volume | 530.06 ± 0.07 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303074 (current) | 2025-10-28 | cif/ Adding structures of 1576098, 1576099, 1576100 via cif-deposit CGI script. |
1576099.cif |
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Users of the data should acknowledge the original authors of the
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