| Autor: |
Domasevitch KV; Inorganic Chemistry Department National Taras Shevchenko University of Kyiv Volodymyrska Str 64/13 01601 Kyiv Ukraine., Senchyk GA; Inorganic Chemistry Department National Taras Shevchenko University of Kyiv Volodymyrska Str 64/13 01601 Kyiv Ukraine., Ponomarova VV; Inorganic Chemistry Department National Taras Shevchenko University of Kyiv Volodymyrska Str 64/13 01601 Kyiv Ukraine., Lysenko AB; Inorganic Chemistry Department National Taras Shevchenko University of Kyiv Volodymyrska Str 64/13 01601 Kyiv Ukraine., Krautscheid H; Institute of Inorganic Chemistry, Leipzig University, Johannisallee 29, D-04103 Leipzig, Germany. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2024 Aug 30; Vol. 80 (Pt 9), pp. 986-992. Date of Electronic Publication: 2024 Aug 30 (Print Publication: 2024). |
| DOI: |
10.1107/S2056989024008375 |
| Abstrakt: |
In the structure of the title salt, {[Ba(μ 3 -C 3 H 2 N 3 O 2 ) 2 (μ-H 2 O)(H 2 O)]·H 2 O} n , the barium ion and all three oxygen atoms of the water mol-ecules reside on a mirror plane. The hydrogen atoms of the bridging water and the solvate water mol-ecules are arranged across a mirror plane whereas all atoms of the monodentate aqua ligand are situated on this mirror plane. The distorted ninefold coord-ination of the Ba ions is completed with four nitroso-, two carbonyl- and three aqua-O atoms at the distances of 2.763 (3)-2.961 (4) Å and it is best described as tricapped trigonal prism. The three-dimensional framework structure is formed by face-sharing of the trigonal prisms, via μ-nitroso- and μ-aqua-O atoms, and also by the bridging coordination of the anions via carbonyl-O atoms occupying two out of the three cap positions. The solvate water mol-ecules populate the crystal channels and facilitate a set of four directional hydrogen bonds. The principal Ba-carbamoyl-cyano-nitro-somethanido linkage reveals a rare example of the inherently polar binodal six- and three-coordinated bipartite topology (three-letter notation sit ). It suggests that small resonance-stabilized cyano-nitroso anions can be utilized as bridging ligands for the supra-molecular synthesis of MOF solids. Such an outcome may be anti-cipated for a broader range of hard Lewis acidic alkaline earth metal ions, which perfectly match the coordination preferences of highly nucleophilic nitroso-O atoms. Thermal analysis reveals two-stage dehydration of the title compound (383 and 473 K) followed by decomposition with release of CO 2 , HCN and H 2 O at 558 K.
(© Domasevitch et al. 2024.) |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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