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Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]
The title compound, {[Ba(7)(C(3)H(5)O(2))(14)]·0.946C(3)H(6)O(2)·4H(2)O}(n), is represented by a metal–organic framework structure that is held together by Ba—O—Ba bonds, as well as by O—H⋯O hydrogen bonds of moderate strength. The structure comprises of four independent Ba(2+) cations (one of which...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001838/ https://www.ncbi.nlm.nih.gov/pubmed/32071759 http://dx.doi.org/10.1107/S2056989020000924 |
Sumario: | The title compound, {[Ba(7)(C(3)H(5)O(2))(14)]·0.946C(3)H(6)O(2)·4H(2)O}(n), is represented by a metal–organic framework structure that is held together by Ba—O—Ba bonds, as well as by O—H⋯O hydrogen bonds of moderate strength. The structure comprises of four independent Ba(2+) cations (one of which is situated on a twofold rotation axis), seven independent propionate and two independent water molecules. The bond-valence sums of all the cations indicate a slight overbonding. There is also an occupationally, as well as a positionally disordered propionic acid molecule present in the structure. Its occupation is slightly lower than the full occupation while the disordered molecules occupy two positions related by a rotation about a twofold rotation axis. In addition, the methyl group in the symmetry-independent propionic acid molecule is also disordered, and occupies two positions. Each propionic acid molecule coordinates to just one cation from a pair of symmetry-equivalent Ba(2+) sites and is simultaneously bonded by an O—H⋯O(propionate) hydrogen bond. This means that on a microscopic scale, the coordination number of the corresponding Ba(2+) site is either 9 or 10. The methyl as well as hydroxy hydrogen atoms of the disordered propionic acid molecule were not determined. |
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