Synthesis and the crystal structure of [Hg6As4](InCl6)Cl: influence of covalent and electrostatic factors on the supramolecular structureстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:A new inorganic supramolecular complex [Hg6As4](InCl6)Cl was synthesized. The complex crystallizes in the cubic space group Pa3 with the unit cell parameter a = 12.109(l) Angstrom and Z = 4. The crystal structure of the complex is based on the (3)(chi)[Hg6As4](4+) three-dimensional cationic host framework. The guest InCl63- and Cl- anions are located in the cavities of the framework. The host-guest interactions were examined by quantum-chemical calculations of the equilibrium geometry of the InCl63- anion and analysis of the periodic zero-potential surface of the supramolecular complex. It was demonstrated that the electrostatic factors dominate over the covalent factors in the organization of the supramolecular structure of [Hg6As4](InCl6)Cl.