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International Union of Crystallography, Acta Crystallographica Section E: Crystallographic Communications, 12(71), p. m244-m245, 2015

DOI: 10.1107/s2056989015022823

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Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate

Journal article published in 2015 by Tatiana R. Amarante ORCID, Isabel S. Gonçalves ORCID, Filipe A. Almeida Paz
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The title compound, (C5H9N2)4[Mo8O26]·4H2O, was reported previously from a room-temperature data collection from which only the metal atoms could be refined anisotropically [FitzRoyet al.(1989).Inorg. Chim. Acta,157, 187–194]. The current redetermination at 180 (2) K models all the non-H atoms with anisotropic displacement parameters and fully describes the supramolecular N—H...O and O—H...O hydrogen-bonded network connecting the 3,5-dimethylpyrazolium cations, the water molecules of crystallization and the β-octamolybdate anion. All H atoms involved in the three-dimensional hydrogen-bonding network could be located from difference Fourier maps, with the exception of those of one disordered water molecule, firstly seen in this structural report [refined over two distinct locations with site-occupancy factors of 0.65 (2) and 0.35 (2)]. The complete β-octamolybdate anion is generated by a crystallographic inversion centre.