CuH16(CN3)8CuH16(CN)4 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuH16(CN)4 cluster and one CuH16(CN3)8 cluster. In the CuH16(CN)4 cluster, Cu(2) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(12) atoms. Both Cu(2)-N(1) bond lengths are 2.00 Å. Both Cu(2)-N(12) bond lengths are 2.03 Å. There are two inequivalent C sites. In the first C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(1), and one H(3) atom. The C(2)-N(1) bond length is 1.47 Å. The C(2)-H(1) bond length is 1.10 Å. The C(2)-H(3) bond length is 1.10 Å. In the second C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(12), one H(11), and one H(7) atom. The C(3)-N(12) bond length is 1.48 Å. The C(3)-H(11) bond length is 1.10 Å. The C(3)-H(7) bond length is 1.10 Å. There are two inequivalent N sites. In the first N site, N(12) is bonded to one Cu(2), one C(3), one H(5), and one H(6) atom to form distorted corner-sharing NCuH2C tetrahedra. The N(12)-H(5) bond length is 1.04 Å. The N(12)-H(6) bond length is 1.03 Å. In the second N site, N(1) is bonded to one Cu(2), one C(2), one H(2), and one H(8) atom to form distorted corner-sharing NCuH2C tetrahedra. The N(1)-H(2) bond length is 1.03 Å. The N(1)-H(8) bond length is 1.04 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one N(12) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one N(12) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one N(1) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(3) atom. In the CuH16(CN3)8 cluster, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent N(13), two equivalent N(2), and two equivalent N(4) atoms. Both Cu(1)-N(13) bond lengths are 2.02 Å. Both Cu(1)-N(2) bond lengths are 2.04 Å. Both Cu(1)-N(4) bond lengths are 2.72 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(3), one N(5), and one N(7) atom. The C(1)-N(3) bond length is 1.36 Å. The C(1)-N(5) bond length is 1.38 Å. The C(1)-N(7) bond length is 1.36 Å. In the second C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(13), and one H(16) atom. The C(4)-N(2) bond length is 1.48 Å. The C(4)-H(13) bond length is 1.10 Å. The C(4)-H(16) bond length is 1.10 Å. In the third C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one N(13), one H(12), and one H(14) atom. The C(5)-N(13) bond length is 1.48 Å. The C(5)-H(12) bond length is 1.10 Å. The C(5)-H(14) bond length is 1.10 Å. In the fourth C site, C(6) is bonded in a trigonal planar geometry to one N(10), one N(11), and one N(6) atom. The C(6)-N(10) bond length is 1.35 Å. The C(6)-N(11) bond length is 1.35 Å. The C(6)-N(6) bond length is 1.39 Å. There are twelve inequivalent N sites. In the first N site, N(2) is bonded to one Cu(1), one C(4), one H(15), and one H(4) atom to form distorted corner-sharing NCuH2C tetrahedra. The N(2)-H(15) bond length is 1.03 Å. The N(2)-H(4) bond length is 1.03 Å. In the second N site, N(3) is bonded in a distorted water-like geometry to one C(1) and one N(4) atom. The N(3)-N(4) bond length is 1.33 Å. In the third N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(3), and one N(8) atom. The N(4)-N(8) bond length is 1.35 Å. In the fourth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one C(1) and one N(6) atom. The N(5)-N(6) bond length is 1.28 Å. In the fifth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one C(6) and one N(5) atom. In the sixth N site, N(7) is bonded in a distorted water-like geometry to one C(1) and one N(8) atom. The N(7)-N(8) bond length is 1.33 Å. In the seventh N site, N(8) is bonded in a water-like geometry to one N(4) and one N(7) atom. In the eighth N site, N(9) is bonded in a water-like geometry to one N(10) and one N(14) atom. The N(9)-N(10) bond length is 1.33 Å. The N(9)-N(14) bond length is 1.34 Å. In the ninth N site, N(10) is bonded in a distorted water-like geometry to one C(6) and one N(9) atom. In the tenth N site, N(11) is bonded in a water-like geometry to one C(6) and one N(14) atom. The N(11)-N(14) bond length is 1.34 Å. In the eleventh N site, N(13) is bonded to one Cu(1), one C(5), one H(10), and one H(9) atom to form distorted corner-sharing NCuH2C tetrahedra. The N(13)-H(10) bond length is 1.04 Å. The N(13)-H(9) bond length is 1.02 Å. In the twelfth N site, N(14) is bonded in a water-like geometry to one N(11) and one N(9) atom. There are eight inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(9) is bonded in a single-bond geometry to one N(13) atom. In the third H site, H(10) is bonded in a single-bond geometry to one N(13) atom. In the fourth H site, H(12) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(14) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(15) is bonded in a single-bond geometry to one N(2) atom. In the eighth H site, H(16) is bonded in a single-bond geometry to one C(4) atom. Linkers: 1 N1=NN=[C](=N1)[N][N][C]1=NN=NN=1. Metal clusters: . The MOF has largest included sphere 1.64 A, density 1.82 g/cm3, surface area 4271.39 m2/g, accessible volume 0.06 cm3/g