Abstract
The syntheses and structure determinations by means of single-crystal X-ray diffraction of commensurate (C(6)H(14)N(2))(2)[Mo(8)O(26)] * 4H(2)O and incommensurate (C(6)H(14)N(2))(2)[Mo(8)O(26)] * 4.66H(2)O, two new organic-inorganic hybrid compounds based on polyoxomolybdates and differing in their solvent content, are reported. Given the important disorder observed in the latter compound, only a combination of non-harmonic waves, crenel functions and TLS tensors offered a good modelling of the structure. (C(6)H(14)N(2))(2)[Mo(8)O(26)] * nH(2)O results from the self-assembly of [Mo(8)O(26)](4-) anionic chains, C(6)H(14)N(2)(2+) (H(2)DABCO(2+)) cations and water molecules. The [Mo(8)O(26)](4-) chain is built from gamma-[Mo(8)O(28)](8-) octamolybdate clusters, connected to each other through corner sharing. In both compounds, the [Mo(8)O(26)](4-) chains are separated, in a similar way, by the H(2)DABCO(2+) subunits, acting as charge-compensating cations, and by the water molecules. The orientation of the H(2)DABCO(2+) cations is shown to be different from what has been observed previously in monoclinic (H(2)DABCO)(2)[Mo(8)O(26)] * 4H(2)O, and therefore to give a different network of hydrogen bonds.
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More From: Acta Crystallographica Section B Structural Science
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