Crystal structure of cis-aqua-chlorido-(rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4) N)chromium(III) tetra-chlorido-zincate trihydrate from synchrotron data.

ABSTRACT: The structure of the title compound, cis-[CrCl(cycb)(H2O)][ZnCl4]·3H2O (cycb is rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane; C16H36N4), has been determined from synchrotron data. In the complex cation, the Cr(III) ion is bound by four N atoms from the tetra-dentate cycb ligand, a chloride ion and one water mol-ecule in a cis arrangement, displaying a distorted octa-hedral coordination geometry. The distorted tetra-hedral [ZnCl4](2-) anion and three additional water mol-ecules remain outside the coordination sphere. The Cr-N(cycb) bond lengths are in the range of 2.0837?(14) to 2.1399?(12)?Å while the Cr-Cl and Cr-(OH2) bond lengths are 2.2940?(8) and 2.0082?(13)?Å, respectively. The crystal packing is stabilized by hydrogen-bonding inter-actions between the N-H groups of the macrocyclic ligand, the O-H groups of the water mol-ecules and the Cl atoms of the tetra-chlorido-zincate anion, leading to the formation of a three-dimensional network.

SUBMITTER: Moon D 

PROVIDER: S-EPMC4555385 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature