Abstract
X-ray analysis has established the “semicoordination” bonding mode for one tetrafluoroborate anion in tetrafluoroborato-2,2′-bipyridyl{2,6-bis[1-(p-ethylphenylimino)ethyl]pyridine}copper(II) tetrafluoroborate, [Cu(bipy) (C25H27N3)(FBF3)]BF4. Crystals of the title compound are monoclinic, space group P21/n with four molecules in the unit cell ofa=14.991(3),b=14.989(3),c=16.933(4) A,β=109.33(2)°. The structure was solved by the heavy-atom method and refined by blocked full-matrix least squares calculations with anisotropic thermal parameters for nonhydrogen atoms toR=0.049 andR w=0.051 for 3311 reflections withI>3σ(I). The copper atom coordination is pseudo-octahedral, with one nitrogen atom of the bipyridyl ligand [Cu-N(2)1.985(4) A] and three nitrogen atoms of the terdentate NNN donor ligand [Cu-N(3) 1.923(4), Cu-N(4) 2.073(4), Cu-N(5) 2.073(4) A] forming the equatorial plane. The axial sites are occupied by the second nitrogen atom of the bipyridyl ligand [Cu-N(1) 2.186(5) A] and a loosely bound fluorine atom [Cu-F(21) 2.692(5) A] of the “semicoordinated” tetrafluoroborate group. The other BF 4 − anion is ionic. Electronic and vibrational spectral data for the complex are discussed in terms of the geometry of the cation.
Published Version
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