Crystal structure of trans-diammine(1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4) N)chromium(III) tetra-chlorido-zincate chloride monohydrate from synchrotron data.

ABSTRACT: 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 tetra-chlorido-zincate anions, two chloride anions and two water mol-ecules. Each Cr(III) 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)?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 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.

SUBMITTER: Moon D 

PROVIDER: S-EPMC4910319 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature