Abstract

Single crystals of K2Hg(SCN)4 [dipotassium tetra-thio-cyanato-mercurate(II)] were grown from aqueous solutions of potassium thio-cyanate and mercury(II) thio-cyanate and studied by single-crystal X-ray diffraction. In comparison with the previously reported structure model [Zvonkova (1952 ▸). Zh. Fiz. Khim. 26, 1798-1803], all atoms in the crystal structure were located, with lattice parameters and fractional coordinates determined to a much higher precision. In the (crystal) structure, the HgII atom is located on a twofold rotation axis and is coordinated in the form of a distorted tetra-hedron by four S atoms of the thio-cyanate anions. The K+ cation shows a coordination number of eight.

Highlights

  • Thiocyanate and studied by single-crystal X-ray diffraction

  • In the structure, the HgII atom is located on a twofold rotation axis and is coordinated in the form of a distorted tetrahedron by four S atoms of the thiocyanate anions

  • Once we had obtained the compound, we noticed that the original structure determination (Zvonkova, 1952) was of low precision with the light atoms (C and N) not determined, so we redetermined the crystal structure to much higher precision and accuracy

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Summary

Chemical context

Once we had obtained the compound, we noticed that the original structure determination (Zvonkova, 1952) was of low precision with the light atoms (C and N) not determined, so we redetermined the crystal structure to much higher precision and accuracy. The crystal structure has been known since 1952 (Zvonkova, 1952). Related compounds of the type A2Hg(SCN) with A = Rb, Cs, NH4, NMe4 are known (Larbot & Beauchamp, 1973; Tramer, 1962). The HgII atom in K2Hg(SCN) is coordinated in the form of a distorted tetrahedron by four S atoms in a fashion similar to the HgII atom in the structure of. Such tetrahedrally coordinated HgII atoms are known, for example, for the halide and pseudo-halide compounds A2HgX4, viz. Cs2HgBr4. 1986; Dickinson, 1922) and Rb2Hg(CN) (Klüfers et al, 1981)

Structural commentary
Synthesis and crystallization
Refinement
Full Text
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