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Information card for entry 2108194
Preview
| Coordinates | 2108194.cif |
|---|---|
| Structure factors | 2108194.hkl |
| Original paper (by DOI) | HTML |
| Formula | H7.84 K1.29 N1.71 O8 S2 |
|---|---|
| Calculated formula | H7.7999 K1.3 N1.7 O8 S2 |
| Title of publication | New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase |
| Authors of publication | Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 1105 - 1113 |
| a | 5.7768 ± 0.0003 Å |
| b | 5.7768 ± 0.0004 Å |
| c | 22.0983 ± 0.0012 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.004° |
| γ | 120 ± 0.006° |
| Cell volume | 638.65 ± 0.08 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections included in the refinement | 0.0382 |
| Goodness-of-fit parameter for significantly intense reflections | 2.46 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.46 |
| 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 |
|---|---|---|---|
| 205696 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2108194 via cif-deposit CGI script. |
2108194.cif 2108194.hkl |
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