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Title: | Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate |
Author: | Amarante, Tatiana R. Gonçalves, Isabel S. Almeida Paz, Filipe A. |
Keywords: | 3,5 dimethylpyrazolium cations; Crystal structure Octa molybdate(VI) anion Structure redetermination Hydrogen bonding network |
Issue Date: | 2015 |
Publisher: | International Union of Crystallography |
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 [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. |
Peer review: | yes |
URI: | http://hdl.handle.net/10773/18146 |
DOI: | 10.1107/S2056989015022823 |
ISSN: | 2056-9890 |
Appears in Collections: | CICECO - Artigos DQ - Artigos |
Files in This Item:
File | Description | Size | Format | |
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Redetermination of the crystal structure of 35-dimethylpyrazolium β-octamolybdate tetrahydrate_10.1107S2056989015022823.pdf | 687.24 kB | Adobe PDF | View/Open |
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