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Information card for entry 2022386
Preview
| Coordinates | 2022386.cif |
|---|---|
| Structure factors | 2022386.hkl |
| Original IUCr paper | HTML |
| Chemical name | Potassium triiodidomercurate(II) monohydrate |
|---|---|
| Formula | H2 Hg I3 K O |
| Calculated formula | H2 Hg I3 K O |
| Title of publication | Refinement of K[HgI3]·H2O using non-spherical atomic form factors |
| Authors of publication | Chocolatl Torres, Misael; Bernès, Sylvain; Salazar Kuri, Ulises |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 7 |
| Pages of publication | 681 - 685 |
| a | 8.581 ± 0.0002 Å |
| b | 9.2648 ± 0.0003 Å |
| c | 11.4073 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 906.89 ± 0.05 Å3 |
| Cell temperature | 153 ± 1 K |
| Ambient diffraction temperature | 153 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0353 |
| Weighted residual factors for all reflections included in the refinement | 0.0381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8712 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.56083 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265824 (current) | 2021-06-05 | cif/ hkl/ Adding structures of 2022386 via cif-deposit CGI script. |
2022386.cif 2022386.hkl |
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