Cu3C11N4H9I3CH crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of four 02329_fluka molecules inside a Cu3C11N4H9I3 framework. In the Cu3C11N4H9I3 framework, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one N(3), one I(1), one I(2), and one I(3) atom. The Cu(1)-N(3) bond length is 2.00 Å. The Cu(1)-I(1) bond length is 2.79 Å. The Cu(1)-I(2) bond length is 2.64 Å. The Cu(1)-I(3) bond length is 2.62 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one N(2), one I(1), one I(2), and one I(3) atom. The Cu(2)-N(2) bond length is 2.02 Å. The Cu(2)-I(1) bond length is 2.70 Å. The Cu(2)-I(2) bond length is 2.64 Å. The Cu(2)-I(3) bond length is 2.65 Å. In the third Cu site, Cu(3) is bonded in a distorted single-bond geometry to one N(4), one I(1), one I(2), and one I(3) atom. The Cu(3)-N(4) bond length is 2.04 Å. The Cu(3)-I(1) bond length is 2.58 Å. The Cu(3)-I(2) bond length is 2.67 Å. The Cu(3)-I(3) bond length is 2.68 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one N(1), one H(1), and one H(2) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-N(1) bond length is 1.46 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 trigonal planar geometry to one C(1), one C(3), and one C(6) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(6) bond length is 1.39 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(3) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(4) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(4), and one H(5) atom. The C(5)-N(4) bond length is 1.35 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(4), and one H(6) atom. The C(6)-N(4) bond length is 1.35 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(12), one C(8), and one N(1) atom. The C(7)-C(12) bond length is 1.41 Å. The C(7)-C(8) bond length is 1.40 Å. The C(7)-N(1) bond length is 1.37 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one H(7) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-H(7) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(8) atom. The C(9)-H(8) bond length is 1.09 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(10) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(10) bond length is 1.09 Å. In the eleventh C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(7), and one N(3) atom. The C(12)-N(3) bond length is 1.38 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one C(1), one C(7), and one N(2) atom. The N(1)-N(2) bond length is 1.36 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.32 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(12), and one N(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(3), one C(5), and one C(6) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(11) 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(2), and one Cu(3) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the third I site, I(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. Linkers: 4 c1cncc(Cn2nnc3ccccc32)c1. Metal clusters: 12 [Cu]. The MOF has largest included sphere 2.20 A, density 3.17 g/cm3, surface area 2346.89 m2/g, accessible volume 0.05 cm3/g