Refinement of the crystal structure of potassium octacyanomolybdate(IV) dihydrate

Chem. Met. Alloys 3 (2010) 49-52

https://doi.org/10.30970/cma3.0122

Iryna TYPILO, Olha SEREDA, Helen STOECKLI-EVANS, Roman GLADYSHEVSKII,
Dariya SEMENYSHYN

X-ray diffraction on single crystal was used to refine the crystal structure of K₄[Mo(CN)₈]×2H₂O. For the first time the positions of all hydrogen atoms in the complex were localized, the crystal structure being determined at temperature 173 K. The compound crystallizes in the orthorombic system, space group Pnma, cell parameters: a = 16.6959(10), b = 11.6090(6), c = 8.6796(6) Å, V = 1682.30(18) Å3, Z = 4, D_x = 1.961 g·cm^-3, number of independent reflections 2365, reliability factors R = 0.0329, wR = 0.0590. The coordination polyhedron of the molybdenum atoms is a dodecahedron [Mo(CN)₈]. The potassium atoms have three different deformed polyhedra: trigonal bipyramid [K1N₄OH₂], tetragonal pyramid [K2N₅] and trigonal prism with one additional atom [K3N₅(OH₂)₂]. All cyanogroups in the complex are terminal.

Projection of the structure of K₄[Mo(CN)₈]×2H₂O along [001].

Keywords

Potassium octacyanomolybdate(IV) / Crystal structure / X-ray diffraction