Crystal structure and magnetic properties of [C6H4(CH2NH3)(2)][CuCl3(H2O)]Cl center dot H2O

The preparation, crystal structure and magnetic properties of the title com pound. (1,3-xylylenediammonium)auqatrichlorocuprate(II) chloride hydrate, h ave been determined. It is monoclinic, space group P2(1)/c, with a=12.711(2 ), b = 6.122(1), c = 19.175(5) Angstrom and beta = 96.72(2)degrees with V = 1481.6(5) Angstrom for Z = 4. The structure contains several architectural features of significance. The compound contains planar CuCl3(H2O)(-) anion s with Cu-Cl distances ranging from 2.2590(8) to 2.3239(6) Angstrom and a C u-O distance of 1.991(2) Angstrom. The anions form stacks through the forma tion of long (3.06 Angstrom, average) semi-coordinate Cu . . . Cl bonds. Hy drogen bonding involving the coordinated and lattice water molecules ties t he stacks together into two-dimensional arrays. The diammonium cations form organic layers interleaved between the inorganic arrays. The cations are a nchored to the inorganic arrays by an efficient -NH3. . . Cl hydrogen-bondi ng network. Magnetic measurements indicate that weak antiferromagnetic inte ractions (2J/k = - 3.06 K) exist in the system, which is attributed to exch ange coupling mediated by the semi-coordinate Cu CI bonds. (C) 2001 Elsevie r Science B.V. All rights reserved.