Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m179-m180    [ doi:10.1107/S1600536813004947 ]

Bromido(1,4,7,10,13-penta­aza­cyclo­hexa­deca­ne)cobalt(III) dibromide dihydrate

T. Kurisaki, M. Hamano and H. Wakita

Abstract: The title salt, [CoBr(C11H27N5)]Br2·2H2O, contains a complex cation with mirror symmetry and two Br- counter-anions that are likewise located on the mirror plane. The central CoIII atom of the complex cation has one Br- ion in an axial position, one N atom of the penta­dentate macrocyclic ligand in the other axial position and four N atoms of the ligand in equatorial positions, defining a distorted octa­hedral coordination geometry. The macrocyclic ligand is coordinated to the CoIII atom within a 5, 6, 5 arrangement of chelate rings in the equatorial plane of the four N atoms. Due to symmetry, the configuration of the chiral N atoms is 1RS, 4SR, 10RS, 13SR. In the crystal, N-H...Br, O-H...Br and N-H...O hydrogen bonds between the complex cation, anions and lattice water mol­ecules generate a three-dimensional network.

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