Synthesis and X-ray, magnetic and spectroscopic investigations of tetrakis [μ-(β-alanine )- O, O′]bis(diphen ylphosphato)dicopper(II) di(diphenylphosphate) dihydrate

Abstract

The crystal structure of the tetrakis [μ-(β-alanine)- O, O′]bis(diphenylphosphato)dicopper(II) di(di- phenylphosphate) dihydrate, [Cu 2(β-ala) 4(DPhP) 2]· 2DPhP·2H 2O (where β-ala= −OOCCH 2CH 2NH 3 + and DPhP = (C 6H 5O) 2PO 2 −, diphenylphosphate monoanion) was determined by single-crystal X-ray diffraction method. The compound crystallizes in the triclinic space group P 1 with orte formula weight in a unit cell of dimensions: a = 9.781(3), b = 14.247- (4), c = 13.809(4) Å, α = 94.59(5), β = 94.73(5) and γ = 114.67(5)°. The structure was solved by the heavy-atom technique and refined by full-matrix least-squares methods to a final R value of 0.050 based on 3540 non-zero, independent data with I > 3.8 σ( I). The crystal structure consists of centrosymmetric carboxylatobridged dimeric units, uncoordinated diphenylphosphate monoanions and water molecules of crystallization. The coordination geometry about each copper(II) center is squarepyramidal, with four oxygen atoms from zwitterionic β-alanine molecules in the basal plane and the oxygen diphenylphosphate atom at the apical position. The magnetic susceptibilitiy and ESR results are compared with those found in the copper(II) glycine polymeric complex.