  The chain-polymer Cu(II) breathing crystals C21H19CuF12N4O6 were studied
using the x-ray diffraction and ab initio band structure calculations. We show
that the crystal structure modification at T=146 K, associated with the spin
crossover transition, induces the changes of the orbital order in half of the
Cu sites. This in turn results in the switch of the magnetic interaction sign
in accordance with the Goodenough-Kanamori-Andersen theory of the coupling
between the orbital and spin degrees of freedom.
