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Information card for entry 2022386
Preview
Coordinates | 2022386.cif |
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Structure factors | 2022386.hkl |
Original IUCr paper | HTML |
Chemical name | Potassium triiodidomercurate(II) monohydrate |
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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 |
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265824 (current) | 2021-06-05 | cif/ hkl/ Adding structures of 2022386 via cif-deposit CGI script. |
2022386.cif 2022386.hkl |
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Users of the data should acknowledge the original authors of the
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