Crystal Structure of pyridinium isopolymolybdate (C5H6N)2n[Mo4O13]n by M. Michalec, K. Stadnicka, and S. A. Hodorowicz

Crystal Research and Technology

Cryst. Res. Technol. 42, 91 (2007) - Abstract -

Crystal Structure of pyridinium isopolymolybdate (C₅H₆N)_2n[Mo₄O₁₃]_n

M. Michalec, K. Stadnicka, and S. A. Hodorowicz

Faculty of Chemistry, Jagiellonian University, 30-019 Kraków, Ingardena 3, Poland

Keywords	pyridinium isopolymolybdate, SEM micrography, IR spectroscopy, X-ray diffraction, crystal structure
PACS	61.66.Hq
DOI	10.1002/crat.200610777

Synthesis and crystal structure are described for pyridinium isopolymolybdate of chemical composition (C₅H₆N)_2n[Mo₄O₁₃]_n. The crystals are triclinic, space group P-1, with the following unit-cell parameters: a=8.2695(11) Å, b=10.544(4) Å, c=11.177(4) Å, α=71.76(5)°, β=89.68(3)°, γ=78.79(3)°, V=906.4(4) Å³, Z = 2 (chemical formula (C₅H₆N)₂[Mo₄O₁₃]), D_calcd =2.755 g cm^-3. Crystal structure was solved by Patterson methods and refined to a final R value 0.085 for 4045 independent reflections. The studied compound, considered in analogy to triclinic (NH₄)₂Mo₄O₁₃ as pyridinium polyoctamolybdate, is proposed to be better described as pyridinium isopolytetramolybdate (C₅H₆N)_2n[Mo₄O₁₃]_n. It seems that the proper coordination number of molybdenum (VI) ions is five, resulting in pyramidal coordination polyhedra [MoO₅]. Coordination polyhedra joined by common edges form tetramolybdate monomeric unit [Mo₄O₁₃]. The mers are connected by oxygen bridges Mo - O - Mo into infinite ribbon chains. Each two infinite chains are hold together by weaker intermolecular interactions.

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