Crystal structure of tetra-kis-[μ-3-carboxy-1-(1,2,4-triazol-4-yl)adamantane-κ2 N 1:N 2]tetra-fluoridodi-μ2-oxido-dioxidodisilver(I)divanadium(V) tetra-hydrate.

Ganna A Senchyk,Andrey B Lysenko,Kostiantyn V Domasevitch,Eduard B Rusanov

doi:10.1107/s2056989019006844

Ganna A Senchyk, Andrey B Lysenko + Show 2 more

Open Access

https://doi.org/10.1107/s2056989019006844

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Abstract

The crystal structure of the title mol-ecular complex, [Ag2{VO2F2}2(C13H17N3O2)4]·4H2O, supported by the heterofunctional ligand tr-ad-COOH [1-(1,2,4-triazol-4-yl)-3-carb-oxy-adamantane] is reported. Four 1,2,4-triazole groups of the ligand link two AgI atoms, as well as AgI and VV centres, forming the heterobimetallic coordination cluster {AgI 2(VVO2F2)2(tr)4}. VV exists as a vanadium oxofluoride anion and possesses a distorted trigonal-bipyramidal coordination environment [VO2F2N]. A carb-oxy-lic acid functional group of the ligand stays in a neutral form and is involved in hydrogen bonding with solvent water mol-ecules and VO2F2 - ions of adjacent mol-ecules. The extended hydrogen-bonding network is responsible for the crystal packing in the structure.

Highlights

The crystal structure of the title molecular complex, [Ag2{VO2F2}2(C13H17N3O2)4]Á4H2O, supported by the heterofunctional ligand tr-ad-COOH [1-(1,2,4triazol-4-yl)-3-carboxyadamantane] is reported
A carboxylic acid functional group of the ligand stays in a neutral form and is involved in hydrogen bonding with solvent water molecules and VO2F2À ions of adjacent molecules
In the present research we introduce a new ligand [tr-adCOOH = 1-(1,2,4-triazol-4-yl)-3-carboxyadamantane], whose 1,2,4-triazole and –COOH donor groups can support the formation of the Ag–V heterometallic coordination cluster

Summary

Chemical context

Heterometallic hybrids incorporating a metal oxide/ oxofluoride matrix are of particular interest as they exhibit non-trivial magnetic, luminescent (Cui et al, 2012), optical and catalytic properties (Dolbecq et al, 2010). In the present research we introduce a new ligand [tr-adCOOH = 1-(1,2,4-triazol-4-yl)-3-carboxyadamantane], whose 1,2,4-triazole and –COOH donor groups can support the formation of the Ag–V heterometallic coordination cluster. It has recently been shown (Senchyk et al, 2012) that symmetrical 1,2,4-triazoles can selectively bridge these different metals. A combination of an AgI–triazole cation and VOF anions lead to the neutral tetranuclear {AgI2(VVO2F2)2(tr)4} unit, which was found in the structure of the title [Ag2(VO2F2)2(tr-ad-COOH)4]Á4H2O complex I (Fig. 1). 2. Structural commentary The asymmetric unit of the title compound contains one AgI cation, one [VO2F2]À anion, two organic ligands and two solvent water molecules.

Supramolecular features

Synthesis and crystallization

Findings

Refinement