Crystal Structure of a Hybrid Cyclohexaphosphate: [o-C₇H₁₀NO]₄Li₂P₆O₁₈·5H₂O

Abstract

Chemical preparation and structural caracterization by X-ray diffraction are given for a new organic cyclohexaphosphate, [o-C₇H₁₀NO]₄Li₂P₆O₁₈·5H₂O. This compound crystallizes in the orthorhombic space group Pna2₁, with unit-cell parameters a = 19.964(3)Å, b = 9.417(4)Å, c = 23.520(4)Å, Z = 4, V = 4421.8(17)ų. Its crystal structure has been determined and refined to a final R = 0.068 and Rw = 0.070 for 5276 independent reflections. The atomic arrangement can be described as a layer organization built by P₆O₁₈ rings, lithium and water molecules. Between these layers, [o-C₇H₁₀NO]⁺ organic cations are located giving rise to a three-dimensional network.