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Information card for entry 2244159
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| Coordinates | 2244159.cif |
|---|---|
| Structure factors | 2244159.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[dimagnesium potassium hexaborate hydroxyide monohydrate] |
|---|---|
| Formula | B12 H3 K Mg2 O22 |
| Calculated formula | B12 H3.0006 K Mg2 O22.0004 |
| Title of publication | Crystal structure of MgK~0.5~[B~6~O~10~](OH)~0.5~·0.5H~2~O, poly[dimagnesium potassium bis(hexaborate) hydroxide monohydrate] |
| Authors of publication | Qiu, Qi-Ming; Song, Jian-Biao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 10 |
| Pages of publication | 1003 - 1005 |
| a | 12.2966 ± 0.0002 Å |
| b | 12.2966 ± 0.0002 Å |
| c | 12.2966 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1859.32 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279113 (current) | 2022-11-08 | cif/ Updating files of 2244159 Original log message: Adding full bibliography for 2244159.cif. |
2244159.cif 2244159.hkl |
| 277747 | 2022-09-09 | cif/ hkl/ Adding structures of 2244159 via cif-deposit CGI script. |
2244159.cif 2244159.hkl |
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Users of the data should acknowledge the original authors of the
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