Abstract
Complexes of composition [Tl(18-crown-6){BTCO}] and [Tl(18-crown-6){H(BTCO) 2}] (BTCO={ONC(CN)-(benzothiazolyl-2)}su−) have been prepared. The crystal and molecular structure of the [Tl(18-crown-6){H(BTCO) 2}] complex has been determined from X-ray diffraction data (orthorhommbic, space group Pbca, with a=15.520(3), b=11.668(2), c=19.661(4) A ̊ , V=3560.4(12) A ̊ 3, Z=4 ). The structure was refined by least-squares methods to a final value of R=0.029 based on 2525 independent reflections with 1>2 σ(1). The metal atom occupies a center of symmetry. The lattice consists of centrosymmetric cations Tl(18-crown-6) + and anions [H(BTCO) 2} −, which are bridges between neighboring cations to give a one-dimensional polymeric structure. The thallium atoms adopt the eight-fold coordination of a slightly distorted hexagonal-bipyramidal geometry with axial nitrile nitrogen atoms and reside exactly in the center of the crown ether (TlO ∼ 2.820–2.876 Å, TlN 2.987 Å). No stereochemical activity of a lone pair electron density of Tl was observed.
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