(Cu4C11H22(NI)4)3(CuC3NH6I)5 is Indium-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of sixteen Cu4C11H22(NI)4 clusters and forty CuC3NH6I clusters. In each Cu4C11H22(NI)4 cluster, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one N(1), one I(1), one I(5), and one I(6) atom. The Cu(1)-N(1) bond length is 2.16 Å. The Cu(1)-I(1) bond length is 2.72 Å. The Cu(1)-I(5) bond length is 2.72 Å. The Cu(1)-I(6) bond length is 2.68 Å. In the second Cu site, Cu(5) is bonded in a distorted single-bond geometry to one N(5), one I(5), and two equivalent I(1) atoms. The Cu(5)-N(5) bond length is 2.04 Å. The Cu(5)-I(5) bond length is 2.71 Å. Both Cu(5)-I(1) bond lengths are 2.70 Å. In the third Cu site, Cu(6) is bonded in a distorted single-bond geometry to one N(6), one I(6), and two equivalent I(1) atoms. The Cu(6)-N(6) bond length is 2.07 Å. The Cu(6)-I(6) bond length is 2.69 Å. Both Cu(6)-I(1) bond lengths are 2.70 Å. There are six inequivalent C sites. In the first C site, C(2) is bonded in a 3-coordinate geometry to one N(5), one H(7), and one H(8) atom. The C(2)-N(5) bond length is 1.57 Å. The C(2)-H(7) bond length is 0.97 Å. The C(2)-H(8) bond length is 0.97 Å. In the second C site, C(3) is bonded in a 4-coordinate geometry to one C(3), one N(1), one H(10), and one H(9) atom. The C(3)-C(3) bond length is 1.39 Å. The C(3)-N(1) bond length is 1.44 Å. The C(3)-H(10) bond length is 0.97 Å. The C(3)-H(9) bond length is 0.97 Å. In the third C site, C(4) is bonded in a 3-coordinate geometry to one N(1), one H(11), and one H(12) atom. The C(4)-N(1) bond length is 1.52 Å. The C(4)-H(11) bond length is 0.97 Å. The C(4)-H(12) bond length is 0.97 Å. In the fourth C site, C(5) is bonded in a 3-coordinate geometry to one N(1), one H(13), and one H(14) atom. The C(5)-N(1) bond length is 1.49 Å. The C(5)-H(13) bond length is 0.97 Å. The C(5)-H(14) bond length is 0.97 Å. In the fifth C site, C(6) is bonded in a 2-coordinate geometry to one N(6), one H(15), and one H(16) atom. The C(6)-N(6) bond length is 1.57 Å. The C(6)-H(15) bond length is 0.97 Å. The C(6)-H(16) bond length is 0.97 Å. In the sixth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one N(5) and two equivalent H(6) atoms. The C(10)-N(5) bond length is 1.49 Å. Both C(10)-H(6) bond lengths are 0.97 Å. There are three inequivalent N sites. In the first N site, N(5) is bonded in a tetrahedral geometry to one Cu(5), one C(10), and two equivalent C(2) atoms. In the second N site, N(6) is bonded in a trigonal non-coplanar geometry to one Cu(6) and two equivalent C(6) atoms. In the third N site, N(1) is bonded in a tetrahedral geometry to one Cu(1), one C(3), one C(4), and one C(5) atom. There are eleven inequivalent H sites. In the first H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the second H site, H(7) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(8) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(10) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(12) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(13) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(14) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(15) is bonded in a single-bond geometry to one C(6) atom. In the eleventh H site, H(16) is bonded in a single-bond geometry to one C(6) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(5), and one Cu(6) atom. In the second I site, I(5) is bonded in a 3-coordinate geometry to one Cu(5) and two equivalent Cu(1) atoms. In the third I site, I(6) is bonded in a 3-coordinate geometry to one Cu(6) and two equivalent Cu(1) atoms. In each CuC3NH6I cluster, Cu(2) is bonded in a distorted single-bond geometry to one N(2) and three equivalent I(2) atoms. The Cu(2)-N(2) bond length is 2.08 Å. All Cu(2)-I(2) bond lengths are 2.71 Å. C(7) is bonded in a 3-coordinate geometry to one N(2) and two equivalent H(1) atoms. The C(7)-N(2) bond length is 1.54 Å. Both C(7)-H(1) bond lengths are 0.93 Å. N(2) is bonded in a tetrahedral geometry to one Cu(2) and three equivalent C(7) atoms. H(1) is bonded in a single-bond geometry to one C(7) atom. I(2) is bonded in a 3-coordinate geometry to three equivalent Cu(2) atoms. Linkers: 53 C1CN2CCN1CC2 ,12 C1C[N]CC[N]1. Metal clusters: 1 I[Cu]12([Cu]3[Cu]1[Cu]23(I)(I)I)[N@]12CC[N@](CC1)(CC2)[Cu]12(I)[Cu]3[Cu]1[Cu]23(I)(I)I ,27 I[Cu]12[Cu]3[Cu]1[Cu]32(I)(I)I ,1 I[Cu@]12[Cu]3[Cu@]1([Cu]23(I)(I)I)[N@]12CC[N@](CC1)(CC2)[Cu]12(I)[Cu]3[Cu]1[Cu]23(I)(I)I ,1 I[Cu@]12[Cu]3[Cu@]1([Cu]23(I)(I)I)[N@]12CC[N@](CC1)(CC2)[Cu@@]12[Cu]3[Cu@@]1([Cu]23(I)(I)I)I ,1 I[Cu@]12[Cu]3[Cu@@]1(I)[Cu]32(I)I. The MOF has largest included sphere 23.87 A, density 0.91 g/cm3, surface area 2608.28 m2/g, accessible volume 0.88 cm3/g