Cu3C11N5H7I2CH crystallizes in the monoclinic C2/c space group. The structure consists of eight 02329_fluka molecules inside a Cu3C11N5H7I2 framework. In the Cu3C11N5H7I2 framework, there are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Cu(1)-N(1) bond lengths are 1.87 Å. In the second Cu site, Cu(2) is bonded in a distorted bent 120 degrees geometry to one N(2), one N(5), and two equivalent I(1) atoms. The Cu(2)-N(2) bond length is 2.00 Å. The Cu(2)-N(5) bond length is 1.98 Å. There is one shorter (2.66 Å) and one longer (2.72 Å) Cu(2)-I(1) bond length. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one N(3), one N(4), one I(1), and one I(2) atom. The Cu(3)-N(3) bond length is 1.95 Å. The Cu(3)-N(4) bond length is 1.96 Å. The Cu(3)-I(1) bond length is 2.70 Å. The Cu(3)-I(2) bond length is 2.89 Å. In the fourth Cu site, Cu(4) is bonded in a linear geometry to two equivalent I(2) atoms. Both Cu(4)-I(2) bond lengths are 2.41 Å. There are eleven inequivalent C sites. In the first C site, C(11) is bonded in a distorted single-bond geometry to one C(8) and one H(7) atom. The C(11)-C(8) bond length is 1.40 Å. The C(11)-H(7) bond length is 1.09 Å. In the second C site, C(12) is bonded in a distorted trigonal planar geometry to one C(10), one N(2), and one H(8) atom. The C(12)-C(10) bond length is 1.39 Å. The C(12)-N(2) bond length is 1.35 Å. The C(12)-H(8) bond length is 1.09 Å. In the third C site, C(1) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one N(3) atom. The C(1)-C(4) bond length is 1.46 Å. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(3) bond length is 1.34 Å. In the fourth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(4), and one H(1) atom. The C(2)-C(8) bond length is 1.40 Å. The C(2)-N(4) bond length is 1.35 Å. The C(2)-H(1) bond length is 1.09 Å. In the fifth C site, C(3) is bonded in a distorted trigonal planar geometry to one C(8), one N(1), and one N(5) atom. The C(3)-C(8) bond length is 1.46 Å. The C(3)-N(1) bond length is 1.36 Å. The C(3)-N(5) bond length is 1.34 Å. In the sixth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(7) bond length is 1.40 Å. In the seventh C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(2) atom. The C(5)-N(2) bond length is 1.35 Å. The C(5)-H(2) bond length is 1.09 Å. In the eighth C site, C(7) is bonded in a distorted single-bond geometry to one C(4) and one H(4) atom. The C(7)-H(4) bond length is 1.09 Å. In the ninth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(3) atom. In the tenth C site, C(9) is bonded in a distorted trigonal planar geometry to one N(4) and one H(5) atom. The C(9)-N(4) bond length is 1.35 Å. The C(9)-H(5) bond length is 1.09 Å. In the eleventh C site, C(10) is bonded in a distorted single-bond geometry to one C(12) and one H(6) atom. The C(10)-H(6) bond length is 1.09 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(12), and one C(5) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Cu(3), one C(1), and one N(5) atom. The N(3)-N(5) bond length is 1.37 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(3), one C(2), and one C(9) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Cu(2), one C(3), and one N(3) atom. There are seven 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 C(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(12) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent Cu(2) atoms. In the second I site, I(2) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one Cu(4) atom. Linkers: 4 c1ccc(cn1)C1=[N]=C(N=N1)c1cccnc1. Metal clusters: 12 [Cu]. The MOF has largest included sphere 2.77 A, density 2.87 g/cm3, surface area 2560.95 m2/g, accessible volume 0.07 cm3/g