Structural and Physicochemical Studies of [4-ClC6H4CH2NH3]4Li2P6O184H2O

The crystal structure of a new organic cation cyclohexaphosphate, [4-ClC6H4CH2NH3]4Li2P6O18.4H2O, is reported. It crystallizes in the triclinic system (space group P-1) with the following unit-cell parameters: a = 9.628(8), b = 12.801(9), c = 19.528(6) , = 78.60(4), = 83.00(5), = 89.98(4), Z = 2, and V = 2341(3)3. The structure has been solved using direct methods and refined by least-squares analysis [R1 = 0.043, wR2 = 0.108]. The structure can be described as infinite anionic layers with composition of [Li2(P6O18)(H2O)4]4 - and parallel to the ac plane. The organic groups are located in the accessible voids. The molecules are stabilized by OHO and NHO types of intermolecular hydrogen bonds in the unit cell in addition to Van der Waals forces.