CuH16(CN)12CuH8(CN)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuH16(CN)12 cluster and one CuH8(CN)6 cluster. In the CuH16(CN)12 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent N(6) and two equivalent N(7) atoms. Both Cu(1)-N(6) bond lengths are 1.98 Å. Both Cu(1)-N(7) bond lengths are 2.01 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(5) and two equivalent H(1,2) atoms. The C(1)-N(5) bond length is 1.45 Å. Both C(1)-H(1,2) bond lengths are 0.97 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(3,4) atoms. The C(2)-N(3) bond length is 1.46 Å. Both C(2)-H(3,4) bond lengths are 0.97 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one N(3), one N(7), and one H(6) atom. The C(4)-N(3) bond length is 1.31 Å. The C(4)-N(7) bond length is 1.36 Å. The C(4)-H(6) bond length is 0.93 Å. In the fourth C site, C(6) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(9) atom. The C(6)-N(7) bond length is 1.36 Å. The C(6)-N(9) bond length is 1.34 Å. The C(6)-H(9) bond length is 0.93 Å. In the fifth C site, C(7) is bonded in a trigonal planar geometry to one N(1), one N(6), and one H(10) atom. The C(7)-N(1) bond length is 1.30 Å. The C(7)-N(6) bond length is 1.35 Å. The C(7)-H(10) bond length is 0.93 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(11) atom. The C(8)-N(5) bond length is 1.32 Å. The C(8)-N(6) bond length is 1.32 Å. The C(8)-H(11) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one C(7) and one N(5) atom. The N(1)-N(5) bond length is 1.36 Å. In the second N site, N(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one N(9) atom. The N(3)-N(9) bond length is 1.33 Å. In the third N site, N(5) is bonded in a 3-coordinate geometry to one C(1), one C(8), and one N(1) atom. In the fourth N site, N(6) is bonded in a trigonal planar geometry to one Cu(1), one C(7), and one C(8) atom. In the fifth N site, N(7) is bonded in a trigonal planar geometry to one Cu(1), one C(4), and one C(6) atom. In the sixth N site, N(9) is bonded in a water-like geometry to one C(6) and one N(3) atom. There are six inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(9) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(8) atom. In the CuH8(CN)6 cluster, Cu(2) is bonded in a linear geometry to two equivalent N(2) atoms. Both Cu(2)-N(2) bond lengths are 1.96 Å. There are three inequivalent C sites. In the first C site, C(9) is bonded in a trigonal planar geometry to one N(2), one N(8), and one H(12) atom. The C(9)-N(2) bond length is 1.34 Å. The C(9)-N(8) bond length is 1.33 Å. The C(9)-H(12) bond length is 0.93 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one N(2), one N(4), and one H(5) atom. The C(3)-N(2) bond length is 1.32 Å. The C(3)-N(4) bond length is 1.31 Å. The C(3)-H(5) bond length is 0.93 Å. In the third C site, C(5) is bonded in a 3-coordinate geometry to one N(4) and two equivalent H(7,8) atoms. The C(5)-N(4) bond length is 1.46 Å. Both C(5)-H(7,8) bond lengths are 0.97 Å. There are three inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(3), and one C(9) atom. In the second N site, N(4) is bonded in a 3-coordinate geometry to one C(3), one C(5), and one N(8) atom. The N(4)-N(8) bond length is 1.37 Å. In the third N site, N(8) is bonded in a distorted water-like geometry to one C(9) and one N(4) atom. There are three inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(7,8) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(12) is bonded in a single-bond geometry to one C(9) atom. Linkers: 1 [CH2]N1[CH]N=C[N]1.[CH2][N][C][N].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[N].[CH]N([CH2])[N].[CH][N][N].[CH][N][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C][N][N][CH].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][Cu].[N][Cu][N] ,1 [CH2]CN1[CH]N=C[N]1.[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[N].[CH][N][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]C[N][N].[C][N][N].[C][N][N].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][Cu].[N][N]. Metal clusters: 1 [Cu]. The MOF has largest included sphere 7.31 A, density 0.93 g/cm3, surface area 4962.96 m2/g, accessible volume 0.56 cm3/g