Cu3C6N2H12I3(CuC3NH6I)4 is Indium-like structured and crystallizes in the hexagonal P6_422 space group. The structure is zero-dimensional and consists of three Cu3C6N2H12I3 clusters and six CuC3NH6I clusters. In each Cu3C6N2H12I3 cluster, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to two equivalent I(3) and two equivalent I(4) atoms. Both Cu(1)-I(3) bond lengths are 2.58 Å. Both Cu(1)-I(4) bond lengths are 3.07 Å. In the second Cu site, Cu(2) is bonded in a 1-coordinate geometry to one N(2), one I(4), and two equivalent I(3) atoms. The Cu(2)-N(2) bond length is 2.13 Å. The Cu(2)-I(4) bond length is 2.59 Å. There is one shorter (2.64 Å) and one longer (2.78 Å) Cu(2)-I(3) bond length. There are three inequivalent C sites. In the first C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(17), and one H(18) atom. The C(9)-N(2) bond length is 1.49 Å. The C(9)-H(17) bond length is 1.10 Å. The C(9)-H(18) bond length is 1.10 Å. In the second C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(13), and one H(14) atom. The C(7)-N(2) bond length is 1.48 Å. The C(7)-H(13) bond length is 1.10 Å. The C(7)-H(14) bond length is 1.10 Å. In the third C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(11), and one H(12) atom. The C(6)-N(2) bond length is 1.48 Å. The C(6)-H(11) bond length is 1.09 Å. The C(6)-H(12) bond length is 1.10 Å. N(2) is bonded in a tetrahedral geometry to one Cu(2), one C(6), one C(7), and one C(9) atom. There are six inequivalent H sites. In the first H site, H(11) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(14) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(17) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(12) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(18) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(13) is bonded in a single-bond geometry to one C(7) atom. There are two inequivalent I sites. In the first I site, I(3) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Cu(2) atoms. In the second I site, I(4) is bonded in a distorted water-like geometry to two equivalent Cu(1) and two equivalent Cu(2) atoms. In each CuC3NH6I cluster, there are two inequivalent Cu sites. In the first Cu site, Cu(3) is bonded in a distorted single-bond geometry to one N(3), one I(1), and two equivalent I(2) atoms. The Cu(3)-N(3) bond length is 2.07 Å. The Cu(3)-I(1) bond length is 2.71 Å. There is one shorter (2.66 Å) and one longer (2.79 Å) Cu(3)-I(2) bond length. In the second Cu site, Cu(4) is bonded in a distorted single-bond geometry to one N(1), one I(2), and two equivalent I(1) atoms. The Cu(4)-N(1) bond length is 2.07 Å. The Cu(4)-I(2) bond length is 2.70 Å. There is one shorter (2.67 Å) and one longer (2.83 Å) Cu(4)-I(1) bond length. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(1), and one H(2) atom. The C(1)-N(3) bond length is 1.49 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(3), and one H(4) atom. The C(2)-N(3) bond length is 1.48 Å. The C(2)-H(3) bond length is 1.09 Å. The C(2)-H(4) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(5), and one H(6) atom. The C(3)-N(1) bond length is 1.49 Å. The C(3)-H(5) bond length is 1.10 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(7), and one H(8) atom. The C(4)-N(1) bond length is 1.49 Å. The C(4)-H(7) bond length is 1.10 Å. The C(4)-H(8) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(10), and one H(9) atom. The C(5)-N(1) bond length is 1.49 Å. The C(5)-H(10) bond length is 1.10 Å. The C(5)-H(9) bond length is 1.10 Å. In the sixth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(15), and one H(16) atom. The C(8)-N(3) bond length is 1.48 Å. The C(8)-H(15) bond length is 1.10 Å. The C(8)-H(16) bond length is 1.10 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a tetrahedral geometry to one Cu(4), one C(3), one C(4), and one C(5) atom. In the second N site, N(3) is bonded in a tetrahedral geometry to one Cu(3), one C(1), one C(2), and one C(8) atom. There are twelve inequivalent H sites. In the first H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the fifth H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(15) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the ninth H site, H(16) is bonded in a single-bond geometry to one C(8) atom. In the tenth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the eleventh H site, H(7) is bonded in a single-bond geometry to one C(4) atom. In the twelfth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Cu(3) and two equivalent Cu(4) atoms. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Cu(4) and two equivalent Cu(3) atoms. Linkers: 18 C1CN2CCN1CC2. Metal clusters: 1 I[Cu]1[Cu][Cu]23(I)(I)[Cu]4[Cu@]2(I)[Cu]143(I)I ,1 I[Cu]1[Cu]2[Cu]34(I)(I)[Cu][Cu@]3(I)[Cu]124(I)I ,1 I[Cu]123(I)[Cu][Cu][Cu]14(I)(I)[Cu@]2(I)[Cu@@]34I ,6 I[Cu@]12[Cu@]3(I)[Cu@@]1(I)[Cu@]23I. The MOF has largest included sphere 5.95 A, density 2.87 g/cm3, surface area 2273.65 m2/g, accessible volume 0.10 cm3/g