Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ4 N 3,N 6,N 10,N 13)bis­(5-methyltetra­zolato-κN)nickel(II) from synchrotron data

The structure of the title compound, [Ni(C2H3N4)2(C16H38N6)], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the Ni(II) complex mol-ecule, which is related to the other half-mol-ecule by an inversion center. The Ni(II) ion is coordinated by four secondary N atoms of the macrocyclic ligand in a square-planar fashion in the equatorial plane and by two N atoms of the 5-methyltetra-zolate anions in axial positions, resulting in a tetra-gonally distorted octa-hedral geometry. The average equatorial Ni-N bond length [2.060 (8) Å] is shorter than the axial Ni-N bond length [2.2183 (11) Å]. An intra-molecular N-H⋯N hydrogen bond between the secondary amine N atom of the macrocyclic ligand and the non-coordinating N atom of the 5-methyltetra-zolate ion stabilizes the mol-ecular structure. Moreover, an inter-molecular N-H⋯N hydrogen bond between the macrocyclic ligand and 5-methyltetra-zolate group gives rise to a supra-molecular sheet structure parallel to the bc plane.