Abstract
The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl·3H2O (chxn is trans-1,2-cyclo-hexa-nedi-amine; C6H14N2), has been determined from synchrotron data. The Cr(III) ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octa-hedral coordination environment. The distorted tetra-hedral [ZnCl4](2-) anion, the isolated Cl(-) anion and three lattice water mol-ecules remain outside the coordination sphere. The Cr-N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N-Cr-N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding inter-actions between the amino groups of the chxn ligands and the water mol-ecules as donor groups, and O atoms of the water mol-ecules, chloride anions and Cl atoms of the [ZnCl4](2-) anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl4](2-) anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06.
Highlights
The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl3H2O, has been determined from synchrotron data
The CrIII ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment
The distorted tetrahedral [ZnCl4]2 anion, the isolated Cl anion and three lattice water molecules remain outside the coordination sphere
Summary
First of all we performed a single-crystal structure analysis of the starting complex [Cr(chxn)3]Cl32H2O with 98 K synchrotron data to determine the exact composition and coordination geometry of the CrIII ion. In comparison with the bond lengths and angles of the structure of this complex determined with. The nitrogen atoms of the three 1,2-cyclohexanediamine ligands define a distorted octahedral coordination environment around the Cr(III) ion with a mean N—Cr—N bite angle of 82.1 (4). The disordered tetrahedral [ZnCl4]2 anion, the isolated Cl anion and the three water molecules remain outside the coordination sphere of CrIII. Cl anions are well separated by van der Waals contacts and there is no basis for describing the ZnII species as a distorted [ZnCl5]3 anion
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