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Information card for entry 2022450
Preview
| Coordinates | 2022450.cif |
|---|---|
| Structure factors | 2022450.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(diethyldithiocarbamato-κ<i>S</i>)antimony(III) |
|---|---|
| Formula | C15 H30 N3 S6 Sb |
| Calculated formula | C15 H30 N3 S6 Sb |
| SMILES | [Sb]123(SC(=[S]1)N(CC)CC)(SC(=[S]2)N(CC)CC)SC(=[S]3)N(CC)CC |
| Title of publication | Resolvable polymorphism in an intergrowth of two modifications of tris(diethyldithiocarbamato)antimony |
| Authors of publication | Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 10 |
| Pages of publication | 610 - 614 |
| a | 12.4204 ± 0.001 Å |
| b | 13.5117 ± 0.001 Å |
| c | 14.6614 ± 0.0011 Å |
| α | 90° |
| β | 99.832 ± 0.008° |
| γ | 90° |
| Cell volume | 2424.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1124 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271916 (current) | 2022-01-07 | cif/ Updating files of 2022449, 2022450 Original log message: Adding full bibliography for 2022449--2022450.cif. |
2022450.cif 2022450.hkl |
| 269098 | 2021-09-11 | cif/ hkl/ Adding structures of 2022449, 2022450 via cif-deposit CGI script. |
2022450.cif 2022450.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.