Crystal structure of the Ba^II-based Co^II-containing one-dimensional coordination polymer poly[[aqua{?₄-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(methylidene)]bis-(4-oxo-4H-pyran-3-olato)}-perchloratocobaltbarium] perchlorate].

ABSTRACT: The title compound, {[Ba{Co(H_-2L1)}(ClO₄)(H₂O)]ClO₄} _n , L1 = 4,10-bis-[(3-hy-droxy-4-pyron-2-yl)meth-yl]-1,7-dimethyl-1,4,7,10-tetra-aza-cyclo-dodeca-ne, is a one-dimensional coordination polymer. The asymmetric unit consists of a {Ba[Co(H_-2L1)](ClO₄)(H₂O)}⁺ cationic fragment and a non-coordinating ClO₄^- anion. In the neutral [Co(H_-2L1)] moiety, the cobalt ion is hexa-coordinated in a trigonal-prismatic fashion by the surrounding N₄O₂ donor set. The Ba²⁺ ion is nine-coordinated and exhibits a distorted [BaO₉] monocapped square-anti-prismatic geometry, the six oxygen atoms coming from three distinct [Co(H_-2L1)] moieties, while the remaining three vertices are occupied by the oxygen atoms of a bidentate perchlorate anion and a water mol-ecule. A barium-?₂-oxygen motif develops along the a axis, connecting symmetry-related dinuclear Ba^II-Co^II cationic fragments in a wave-like chain, forming a one-dimensional metal coordination polymer. Non-coordinating ClO₄^- anions are located in the space between the chains. Weak C-H?O hydrogen bonds involving both coordinating and non-coordinating perchlorate anions build the whole crystal architecture. To our knowledge, this is the first example of a macrocyclic ligand forming a Ba^II-based one-dimensional coordination polymer, containing Co^II ions surrounded by a N₄O₂ donor set.

SUBMITTER: Paoli P 

PROVIDER: S-EPMC5730228 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature