FeCuC5N6O crystallizes in the tetragonal I4mm space group. Fe(1) is bonded in an octahedral geometry to one C(1), four equivalent C(2), and one N(3) atom. Cu(1) is bonded in a square pyramidal geometry to one N(2) and four equivalent N(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one N(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cu(1) and one C(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Cu(1) and one C(1) atom. In the third N site, N(3) is bonded in a linear geometry to one Fe(1) and one O(1) atom. O(1) is bonded in a single-bond geometry to one N(3) atom.
FeCuC5N6O crystallizes in the tetragonal I4mm space group. Fe(1) is bonded in an octahedral geometry to one C(1), four equivalent C(2), and one N(3) atom. The Fe(1)-C(1) bond length is 1.94 Å. All Fe(1)-C(2) bond lengths are 1.94 Å. The Fe(1)-N(3) bond length is 1.66 Å. Cu(1) is bonded in a square pyramidal geometry to one N(2) and four equivalent N(1) atoms. The Cu(1)-N(2) bond length is 2.18 Å. All Cu(1)-N(1) bond lengths are 1.97 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one N(2) atom. The C(1)-N(2) bond length is 1.17 Å. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one N(1) atom. The C(2)-N(1) bond length is 1.17 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cu(1) and one C(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Cu(1) and one C(1) atom. In the third N site, N(3) is bonded in a linear geometry to one Fe(1) and one O(1) atom. The N(3)-O(1) bond length is 1.15 Å. O(1) is bonded in a single-bond geometry to one N(3) atom.