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Information card for entry 8106785
Preview
| Coordinates | 8106785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H18 N4 S3 |
|---|---|
| Calculated formula | C9 H18 N4 S3 |
| Title of publication | The second polymorph of triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide, C9H18N4S3 |
| Authors of publication | Wang, Peizhi; Zeng, Huahui; Wu, Xiangxiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 61 - 63 |
| a | 12.8444 ± 0.0003 Å |
| b | 15.798 ± 0.0005 Å |
| c | 14.1803 ± 0.0004 Å |
| α | 90° |
| β | 98.293 ± 0.002° |
| γ | 90° |
| Cell volume | 2847.32 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281188 (current) | 2023-03-01 | cif/ Adding structures of 8106785 via cif-deposit CGI script. |
8106785.cif |
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Users of the data should acknowledge the original authors of the
structural data.