Information card for entry 2022386

Structure parameters

• 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 ų
• 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