Information card for entry 2311394

Structure parameters

• Chemical name: Dipotassium tetrathiocyanatomercurate(II)
• Formula: C4 Hg K2 N4 S4
• Calculated formula: C4 Hg K2 N4 S4
• SMILES: [K+].C(#N)S[Hg](SC#N)(SC#N)SC#N.[K+]
• Title of publication: Redetermination of the crystal structure of K₂Hg(SCN)₄.
• Authors of publication: Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 7
• Pages of publication: 1073 - 1075
• a: 10.8154 ± 0.0009 Å
• b: 9.3243 ± 0.0007 Å
• c: 13.3313 ± 0.0011 Å
• α: 90°
• β: 106.648 ± 0.006°
• γ: 90°
• Cell volume: 1288.06 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No