Crystal structure of trans-diammine(14811-tetra­aza­cyclo­tetra­decane-κ4N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data

摘要

The asymmetric unit of the title complex salt, [Cr(C10H24N4)(NH3)2][ZnCl4]Cl·H2O, is comprised of four halves of the Cr^III complex cations (the counterparts being generated by application of inversion symmetry), two tetra­chlorido­zincate anions, two chloride anions and two water mol­ecules. Each Cr^III ion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetra­aza­cyclo­tetra­deca­ne) ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octa­hedral coordination environment. The Cr—N(cyclam) bond lengths range from 2.0501 (15) to 2.0615 (15) Å, while the Cr—(NH3) bond lengths range from 2.0976 (13) to 2.1062 (13) Å. The macrocyclic cyclam moieties adopt the trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The [ZnCl4]²⁻ anions have a slightly distorted tetra­hedral shape. In the crystal, the Cl⁻ anions link the complex cations, as well as the solvent water mol­ecules, through N—H⋯Cl and O—H⋯Cl hydrogen-bonding inter­actions. The supra­molecular set-up also includes N—H⋯Cl, C—H⋯Cl, N—H⋯O and O—H⋯Cl hydrogen bonding between N—H or C—H groups of cyclam, ammine N—H and water O—H donor groups, and O atoms of the water mol­ecules, Cl⁻ anions or Cl atoms of the [ZnCl4]²⁻ anions as acceptors, leading to a three-dimensional network structure.