Aqua-{μ-1,4-bis-[(1,4,7,10-tetra-aza-cyclo-dodecan-1-yl)meth-yl]benzene}(nitrato-κ O)dicopper(II) tris-(nitrate) trihydrate

Abstract

In the title dinuclear Cu^II complex, [Cu₂(NO₃)(C₂₄H₄₆N₈)(H₂O)](NO₃)₃·3H₂O, the two Cu^II mol-ecules both have a square-pyramidal geometry, but the ligands in the axial positions are different: a water mol-ecule and a nitrate ion. All nitrate ions, water mol-ecules, and N-H groups are involved in an inter-molecular hydrogen-bond network.

Keywords: copper(II) complex; crystal structure; cyclen; dinuclear complex; p-xylene.

Figure 1

The molecular structure of the complex cation in the title compound with displacement ellipsoids drawn at the 30% probability level. C-bound H atoms, counter-anions and solvate mol­ecules are omitted for clarity.

Figure 2

The hydrogen-bond network of the nitrate salt of p-bis­(Cu^II–cyclen) with displacement ellipsoids drawn at the 30% probability level. C-bound H atoms are omitted for clarity. Hydrogen-bond inter­actions are shown as dotted lines.

Figure 3

The Hirshfeld surface and two-dimensional fingerprint plots [d _e (vertical axis) and d _i (horizontal axis) represent the distances from a point on the Hirshfeld surface to the nearest atoms outside (external) and inside (inter­nal) the surface, respectively] of the nitrate salt of p-bis­(Cu^II–cyclen). (a) Hirshfeld surface and (b) all inter­actions and those delineated into (c) H⋯H, (d) N⋯H/H⋯N, and (e) O⋯H/H⋯O inter­actions.

Figure 4

Packing view of the nitrate salt of p-bis­(Cu^II–cyclen) represented with polyhedral structures around the Cu^II atoms, with displacement ellipsoids drawn at the 30% probability level. Non-coordinating nitrate ions, solvate water mol­ecules and C-bound H atoms are omitted for clarity.