Abstract
The asymmetric unit of the title polymeric mononuclear CuII complex, [Cu(C2N3)2(NH3)2]n, contains one half-molecule, the complex being completed through inversion symmetry, with the CuII atom situated on the centre of symmetry. The coordination polyhedron around CuII is a Jahn–Teller-distorted [CuN6] octahedron. The terminal N atoms of two dicyanamide ligands and two ammine ligands form an approximate square plane, with N—Cu—N bite angles of 89.72 (5) and 90.28 (5)°. The coordination polyhedron is completed in the axial positions by the central amide-type N atoms of two additional dicyanamide ligands, with an elongated Cu—N distance of 2.548 (1) Å. In turn, each of the four dicyanamide ligands, acting as bidentate, link the CuII ions into a two-dimensional polymeric structure parallel to (100). The ammine H atoms are involved in intermolecular hydrogen bonding with the free terminal N atoms of neighbouring dicyanamide ligands, yielding a three-dimensional network.
Highlights
The asymmetric unit of the title polymeric mononuclear Cu complex, [Cu(C2N3)2(NH3)2]n, contains one half-molecule, the complex being completed through inversion symmetry, with the CuII atom situated on the centre of symmetry
The ammine H atoms are involved in intermolecular hydrogen bonding with the free terminal N atoms of neighbouring dicyanamide ligands, yielding a three-dimensional network
H atoms treated by a mixture of independent and constrained refinement max = 0.21 e Å3
Summary
Crystal data a Faculty Chemistry Engineering, Michoacán University, Morelia, Michoacán, Mexico, bCOFEPRIS, Michoacán University, Morelia, Michoacán, Mexico, cInstitute of Analytical Chemistry, Faculty of Chemical and Food Technology, Slovak. 81237, and dInstitute of Physical Chemistry and Chemical Physics, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovak Republic. R factor = 0.017; wR factor = 0.052; data-to-parameter ratio = 15.2
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