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Information card for entry 2312698
Preview
| Coordinates | 2312698.cif |
|---|---|
| Structure factors | 2312698.hkl |
| Original paper (by DOI) | HTML |
| Formula | C5 H16 N2 O4 S2 |
|---|---|
| Calculated formula | C5 H16 N2 O4 S2 |
| Title of publication | A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O. |
| Authors of publication | Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 706 - 714 |
| a | 6.6308 ± 0.0002 Å |
| b | 12.4415 ± 0.0003 Å |
| c | 12.6936 ± 0.0003 Å |
| α | 90° |
| β | 100.074 ± 0.002° |
| γ | 90° |
| Cell volume | 1031.04 ± 0.05 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0237 |
| Weighted residual factors for all reflections included in the refinement | 0.0254 |
| Goodness-of-fit parameter for significantly intense reflections | 1.24 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296752 (current) | 2024-12-07 | cif/ Updating files of 2312698, 2312699 Original log message: Adding full bibliography for 2312698--2312699.cif. |
2312698.cif 2312698.hkl |
| 296191 | 2024-12-03 | cif/ hkl/ Adding structures of 2312698, 2312699 via cif-deposit CGI script. |
2312698.cif 2312698.hkl |
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Users of the data should acknowledge the original authors of the
structural data.