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Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate
The title compound, (C(5)H(9)N(2))(4)[Mo(8)O(26)]·4H(2)O, was reported previously from a room-temperature data collection from which only the metal atoms could be refined anisotropically [FitzRoy et al. (1989 ▸). Inorg. Chim. Acta, 157, 187–194]. The current redetermination at 180 (2) K models all t...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719855/ https://www.ncbi.nlm.nih.gov/pubmed/26870446 http://dx.doi.org/10.1107/S2056989015022823 |
Sumario: | The title compound, (C(5)H(9)N(2))(4)[Mo(8)O(26)]·4H(2)O, was reported previously from a room-temperature data collection from which only the metal atoms could be refined anisotropically [FitzRoy et 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. |
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