Lattice energy minimization techniques have been used to study the 2D-molecular organization of a monolayer of [Ru(bpy)(3)](2+) confined between two clay layers with respect to the stereochemistry of the guest complexes. The simulation results show the importance of both host-guest and guest-guest interactions in determining the structure of the interlamellar space, In the two structures with the lowest energy there is a perfect fit between guest shape acid corrugation of the clay surfaces, while the lateral interactions between complex cations are favorable, The lattice energy minimum is observed with different 2D-arrangements of complex cations for an enantiomeric and a racemic monolayer. On the basis of this result the reported effect of chirality on the adsorption capacity can be rationalized.