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Information card for entry 2108121
Preview
| Coordinates | 2108121.cif |
|---|---|
| Structure factors | 2108121.hkl |
| Original IUCr paper | HTML |
| Formula | C5 H16 N2 O3.5 S2 |
|---|---|
| Calculated formula | C5 H16 N2 O3.4995 S2 |
| Title of publication | Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates |
| Authors of publication | Brozdowska, Agnieszka; Chojnacki, Jarosław |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 507 - 518 |
| a | 11.7872 ± 0.0009 Å |
| b | 11.7872 ± 0.0009 Å |
| c | 16.2851 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2262.6 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1592 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199062 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2108117, 2108118, 2108119, 2108120, 2108121, 2108122 via cif-deposit CGI script. |
2108121.cif 2108121.hkl |
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Users of the data should acknowledge the original authors of the
structural data.