Information card for entry 2239821

Structure parameters

• Common name: Potassium mercury tris-thiocyanate
• Chemical name: Potassium [trithiocyanatomercurate(II)]
• Formula: C3 Hg K N3 S3
• Calculated formula: C3 Hg K N3 S3
• SMILES: [Hg](SC#N)(SC#N)[S](C#N)[Hg](SC#N)(SC#N)SC#N.[K+].[K+]
• Title of publication: Crystal structure of K[Hg(SCN)~3~] ‒ a redetermination
• Authors of publication: Weil, Matthias; Häusler, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: i46
• a: 11.2727 ± 0.0011 Å
• b: 4.0775 ± 0.0004 Å
• c: 10.9764 ± 0.001 Å
• α: 90°
• β: 114.951 ± 0.004°
• γ: 90°
• Cell volume: 457.44 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes