Received 28 January 2013
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-HBr, O-HBr and N-HO hydrogen bonds between the complex cation, anions and lattice water molecules generate a three-dimensional network.
For background to metal complexes with azamacrocycles, see: Mewis & Archida (2010). For related structures, see: Curtis et al. (1987a,b); Eigenbrot et al. (1988); Tahirov et al. (1993); Bombieri et al. (1982). For the synthesis of the macrocyclic ligand, see: Richman & Atkins (1974).
Data collection: CrystalClear (Rigaku, 2008); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: WinGX (Farrugia, 2012).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2723 ).
This work was partially supported by Grants-in-Aid for Scientific Research (C) 22550088 and (B) 23300319 from the Japan Society for the Promotion of Science.
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