Cd11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form distorted CdN6 octahedra that share edges with two equivalent Cd(1)N6 octahedra and edges with eight equivalent Cd(2)N5 trigonal bipyramids. In the second Cd site, Cd(2) is bonded to one N(1), two equivalent N(2), and two equivalent N(4) atoms to form distorted CdN5 trigonal bipyramids that share corners with three equivalent Cd(2)N5 trigonal bipyramids, edges with two equivalent Cd(1)N6 octahedra, and edges with three equivalent Cd(2)N5 trigonal bipyramids. In the third Cd site, Cd(3) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Cd site, Cd(4) is bonded in a distorted trigonal planar geometry to three equivalent N(2) atoms. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Cd(3) and one C(1) atom. In the second N site, N(4) is bonded in a distorted single-bond geometry to one Cd(1), four equivalent Cd(2), and one C(1) atom. In the third N site, N(1) is bonded to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms to form NCd6 octahedra that share corners with two equivalent N(1)Cd6 octahedra, corners with four equivalent N(2)Cd5 square pyramids, and edges with three equivalent N(1)Cd6 octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Cd(2) and three equivalent Cd(4) atoms to form NCd5 square pyramids that share corners with two equivalent N(1)Cd6 octahedra, corners with four equivalent N(2)Cd5 square pyramids, and edges with two equivalent N(2)Cd5 square pyramids. The corner-sharing octahedral tilt angles are 67°.
Cd11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form distorted CdN6 octahedra that share edges with two equivalent Cd(1)N6 octahedra and edges with eight equivalent Cd(2)N5 trigonal bipyramids. Both Cd(1)-N(4) bond lengths are 2.83 Å. All Cd(1)-N(1) bond lengths are 2.39 Å. In the second Cd site, Cd(2) is bonded to one N(1), two equivalent N(2), and two equivalent N(4) atoms to form distorted CdN5 trigonal bipyramids that share corners with three equivalent Cd(2)N5 trigonal bipyramids, edges with two equivalent Cd(1)N6 octahedra, and edges with three equivalent Cd(2)N5 trigonal bipyramids. The Cd(2)-N(1) bond length is 2.32 Å. Both Cd(2)-N(2) bond lengths are 2.36 Å. Both Cd(2)-N(4) bond lengths are 2.63 Å. In the third Cd site, Cd(3) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(3) atoms. Both Cd(3)-N(1) bond lengths are 2.37 Å. Both Cd(3)-N(3) bond lengths are 2.33 Å. In the fourth Cd site, Cd(4) is bonded in a distorted trigonal planar geometry to three equivalent N(2) atoms. There is one shorter (2.21 Å) and two longer (2.33 Å) Cd(4)-N(2) bond lengths. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. The C(1)-N(3) bond length is 1.23 Å. The C(1)-N(4) bond length is 1.24 Å. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Cd(3) and one C(1) atom. In the second N site, N(4) is bonded in a distorted single-bond geometry to one Cd(1), four equivalent Cd(2), and one C(1) atom. In the third N site, N(1) is bonded to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms to form NCd6 octahedra that share corners with two equivalent N(1)Cd6 octahedra, corners with four equivalent N(2)Cd5 square pyramids, and edges with three equivalent N(1)Cd6 octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Cd(2) and three equivalent Cd(4) atoms to form NCd5 square pyramids that share corners with two equivalent N(1)Cd6 octahedra, corners with four equivalent N(2)Cd5 square pyramids, and edges with two equivalent N(2)Cd5 square pyramids. The corner-sharing octahedral tilt angles are 67°.