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Information card for entry 2105792
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| Coordinates | 2105792.cif |
|---|---|
| Structure factors | 2105792.hkl |
| Original IUCr paper | HTML |
| Common name | K9 S8 O33 H9 |
|---|---|
| Formula | H9 K9 O33 S8 |
| Calculated formula | H9.0001 K9 O33 S8 |
| SMILES | [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].[OH3+] |
| Title of publication | <i>M~m~</i>H~<i>n~</i>(<i>X</i>O~4~)~(<i>m~+{ıt n</i>)/2} crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K~9~H~7~(SO~4~)~8~·H~2~O crystals ‒ a new representative of the family of solid acid conductors |
| Authors of publication | Makarova, Irina; Grebenev, Vadim; Dmitricheva, Elena; Dolbinina, Valentina; Chernyshov, Dmitry |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 218 - 226 |
| a | 7.0685 ± 0.0004 Å |
| b | 19.792 ± 0.0005 Å |
| c | 23.4724 ± 0.0006 Å |
| α | 90° |
| β | 95.372 ± 0.004° |
| γ | 90° |
| Cell volume | 3269.4 ± 0.2 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0463 |
| Weighted residual factors for all reflections included in the refinement | 0.0463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.99 |
| Diffraction radiation wavelength | 0.696 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181876 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57. |
2105792.cif 2105792.hkl |
| 180915 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/57. |
2105792.cif 2105792.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2105792.cif 2105792.hkl |
| 108727 | 2014-04-03 | cif/ hkl/ Adding structures of 2105792, 2105793 via cif-deposit CGI script. |
2105792.cif 2105792.hkl |
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