Co5CuN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Co site, Co(2) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. Cu(1) is bonded in a water-like geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Co(2), two equivalent Co(1), and one Cu(1) atom to form corner-sharing NCo3Cu tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Co(2) and four equivalent Co(1) atoms.
Co5CuN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. The Co(1)-N(1) bond length is 1.78 Å. There is one shorter (1.87 Å) and one longer (1.93 Å) Co(1)-N(2) bond length. In the second Co site, Co(2) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Co(2)-N(1) bond lengths are 1.81 Å. Both Co(2)-N(2) bond lengths are 1.90 Å. Cu(1) is bonded in a water-like geometry to two equivalent N(1) atoms. Both Cu(1)-N(1) bond lengths are 1.92 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Co(2), two equivalent Co(1), and one Cu(1) atom to form corner-sharing NCo3Cu tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Co(2) and four equivalent Co(1) atoms.