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Information card for entry 1550276
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| Coordinates | 1550276.cif |
|---|---|
| Structure factors | 1550276.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dithiobis(formamidinium) bis(hydrogen sulfate) |
|---|---|
| Formula | C2 H10 N4 O8 S4 |
| Calculated formula | C2 H10 N4 O8 S4 |
| SMILES | S(=O)(=O)(O)[O-].S(=O)(=O)([O-])O.S(SC(=[NH2+])N)C(=[NH2+])N |
| Title of publication | Dithiobis(formamidinium) bis(hydrogen sulfate) |
| Authors of publication | Zouihri, Hafid; El Korchi, Khadija; Yamni, Khalid; Tijani, Najib |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 11 |
| Pages of publication | x181540 |
| a | 5.1371 ± 0.0002 Å |
| b | 9.5237 ± 0.0004 Å |
| c | 12.9884 ± 0.0006 Å |
| α | 106.521 ± 0.002° |
| β | 96.067 ± 0.002° |
| γ | 95.618 ± 0.002° |
| Cell volume | 600.32 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212149 (current) | 2018-11-23 | cif/ hkl/ Adding structures of 1550276 via cif-deposit CGI script. |
1550276.cif 1550276.hkl |
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Users of the data should acknowledge the original authors of the
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