Bis[(1,4,7,10-tetraazacyclododecane-[kappa]⁴N)(thiocyanato-S)copper(II)] Diaquatetrakis(isothiocyanato-N)calcate(2-) Dihydrate

The Ca^II ion of the title complex, [Cu(SCN)(C₈H₂₀N₄)]₂[Ca(NCS)₄(H₂O)₂].2H₂O, is situated at an inversion center. The coordination geometry around the Cu^II ion is a symmetrical square pyramid with the tetraamine N atoms equatorial and thiocyanato S atom axial. The four donor N atoms of the macrocyclic ligand form a buckled plane, the Cu^II ion lies 0.553 (1) Å out of this plane towards the thiocyanato group. The hydrogen bonds between water molecules and thiocyanato groups help stabilize the crystal structure. A water molecule binds the Cu^II complex and the Ca^II complex together through hydrogen bonds.

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