Crystal structure of trans-diammine(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4N)chromium(III) tetra-chlorido-zincate 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 CrIII complex cations (the counterparts being generated by application of inversion symmetry), two tetra-chlorido-zincate anions, two chloride anions and two water mol-ecules. Each CrIII ion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetra-aza-cyclo-tetra-deca-ne) ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octa-hedral coordination environment. The Cr—N(cyclam) bond lengths range from 2.0501?(15) to 2.0615?(15)??, while the Cr—(NH3) bond lengths range from 2.0976?(13) to 2.1062?(13)??. 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 tetra-hedral shape. In the crystal, the Cl? anions link the complex cations, as well as the solvent water mol-ecules, through N—H?Cl and O—H?Cl hydrogen-bonding inter-actions. The supra-molecular 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 mol-ecules, Cl? anions or Cl atoms of the [ZnCl4]2? anions as acceptors, leading to a three-dimensional network structure.