PdCu12N4 crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a distorted linear geometry to four equivalent Cu(3) and two equivalent N(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(3), one N(2), and one N(3) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to four equivalent Cu(3), one N(1), and one N(3) atom. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to one Pd(1), four equivalent Cu(1), and four equivalent Cu(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Pd(1) and four equivalent Cu(2) atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded in a square co-planar geometry to four equivalent Cu(1) atoms. In the third N site, N(3) is bonded in a square co-planar geometry to two equivalent Cu(1) and two equivalent Cu(2) atoms.
PdCu12N4 crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a distorted linear geometry to four equivalent Cu(3) and two equivalent N(1) atoms. All Pd(1)-Cu(3) bond lengths are 2.65 Å. Both Pd(1)-N(1) bond lengths are 1.97 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(3), one N(2), and one N(3) atom. All Cu(1)-Cu(3) bond lengths are 2.70 Å. The Cu(1)-N(2) bond length is 1.86 Å. The Cu(1)-N(3) bond length is 1.87 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to four equivalent Cu(3), one N(1), and one N(3) atom. All Cu(2)-Cu(3) bond lengths are 2.72 Å. The Cu(2)-N(1) bond length is 1.91 Å. The Cu(2)-N(3) bond length is 1.82 Å. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to one Pd(1), four equivalent Cu(1), and four equivalent Cu(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Pd(1) and four equivalent Cu(2) atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded in a square co-planar geometry to four equivalent Cu(1) atoms. In the third N site, N(3) is bonded in a square co-planar geometry to two equivalent Cu(1) and two equivalent Cu(2) atoms.