PdCu11N4 crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a linear geometry to four equivalent Cu(5), one N(1), and one N(2) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(5), one N(3), and one N(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to four equivalent Cu(5), one N(4), and one N(5) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to four equivalent Cu(5), one N(1), and one N(6) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to four equivalent Cu(5), one N(2), and one N(5) atom. In the fifth Cu site, Cu(5) is bonded in a 8-coordinate geometry to one Pd(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Pd(1) and four equivalent Cu(3) atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to two equivalent Pd(1) and four equivalent Cu(4) atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(3) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the fourth N site, N(4) is bonded in an octahedral geometry to two equivalent Cu(1) and four equivalent Cu(2) atoms. In the fifth N site, N(5) is bonded in a square co-planar geometry to two equivalent Cu(2) and two equivalent Cu(4) atoms. In the sixth N site, N(6) is bonded in a linear geometry to two equivalent Cu(3) atoms.
PdCu11N4 crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a linear geometry to four equivalent Cu(5), one N(1), and one N(2) atom. All Pd(1)-Cu(5) bond lengths are 2.67 Å. The Pd(1)-N(1) bond length is 1.94 Å. The Pd(1)-N(2) bond length is 1.96 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(5), one N(3), and one N(4) atom. All Cu(1)-Cu(5) bond lengths are 2.57 Å. The Cu(1)-N(3) bond length is 1.80 Å. The Cu(1)-N(4) bond length is 2.10 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to four equivalent Cu(5), one N(4), and one N(5) atom. All Cu(2)-Cu(5) bond lengths are 2.70 Å. The Cu(2)-N(4) bond length is 1.88 Å. The Cu(2)-N(5) bond length is 1.83 Å. In the third Cu site, Cu(3) is bonded in a linear geometry to four equivalent Cu(5), one N(1), and one N(6) atom. All Cu(3)-Cu(5) bond lengths are 2.68 Å. The Cu(3)-N(1) bond length is 1.95 Å. The Cu(3)-N(6) bond length is 1.76 Å. In the fourth Cu site, Cu(4) is bonded in a linear geometry to four equivalent Cu(5), one N(2), and one N(5) atom. All Cu(4)-Cu(5) bond lengths are 2.75 Å. The Cu(4)-N(2) bond length is 1.89 Å. The Cu(4)-N(5) bond length is 1.81 Å. In the fifth Cu site, Cu(5) is bonded in a 8-coordinate geometry to one Pd(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Pd(1) and four equivalent Cu(3) atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to two equivalent Pd(1) and four equivalent Cu(4) atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(3) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the fourth N site, N(4) is bonded in an octahedral geometry to two equivalent Cu(1) and four equivalent Cu(2) atoms. In the fifth N site, N(5) is bonded in a square co-planar geometry to two equivalent Cu(2) and two equivalent Cu(4) atoms. In the sixth N site, N(6) is bonded in a linear geometry to two equivalent Cu(3) atoms.