Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(thio­cyanato-κN)nickel(II) from synchrotron data

The crystal structure of the title compound, [Ni(NCS)(2)(C(16)H(38)N(6))], has been determined from synchrotron data. The asymmetric unit consists of two halves of the complex mol­ecules which have their Ni(II) atoms located on inversion centres. The Ni(II) ions show a tetra­gonally distorted octa­hedral coordination geometry, with four secondary amine N atoms of the aza­macrocyclic ligand in the equatorial plane and two N atoms of the thio­cyanate anions in the axial positions. The average equatorial Ni—N bond length [2.070 (5) Å] is shorter than the average axial Ni—N bond length [2.107 (18) Å]. Only half of the macrocyclic ligand N—H groups are involved in hydrogen bonding. The complex mol­ecules are connected via inter­molecular N—H⋯S hydrogen bonds into two symmetry-independent one-dimensional polymeric structures extending along the b-axis direction. One of the n-butyl substituents of the macrocycle exhibits conformational disorder with a refined occupancy ratio of 0.630:0.370.