Cu2C6N5H5I2 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(3), one I(1), and two equivalent I(3) atoms to form distorted corner-sharing CuI3N tetrahedra. The Cu(1)-N(3) bond length is 1.98 Å. The Cu(1)-I(1) bond length is 2.63 Å. There is one shorter (2.57 Å) and one longer (2.67 Å) Cu(1)-I(3) bond length. In the second Cu site, Cu(2) is bonded to one N(4), one I(2), and two equivalent I(4) atoms to form distorted corner-sharing CuI3N tetrahedra. The Cu(2)-N(4) bond length is 1.98 Å. The Cu(2)-I(2) bond length is 2.62 Å. There is one shorter (2.57 Å) and one longer (2.66 Å) Cu(2)-I(4) bond length. In the third Cu site, Cu(3) is bonded to one N(2), one I(4), and two equivalent I(1) atoms to form distorted corner-sharing CuI3N tetrahedra. The Cu(3)-N(2) bond length is 1.97 Å. The Cu(3)-I(4) bond length is 2.72 Å. There is one shorter (2.56 Å) and one longer (2.63 Å) Cu(3)-I(1) bond length. In the fourth Cu site, Cu(4) is bonded to one N(1), one I(3), and two equivalent I(2) atoms to form distorted corner-sharing CuI3N tetrahedra. The Cu(4)-N(1) bond length is 1.97 Å. The Cu(4)-I(3) bond length is 2.72 Å. There is one shorter (2.56 Å) and one longer (2.63 Å) Cu(4)-I(2) bond length. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3,4); one N(1); and one N(7) atom. The C(1)-C(3,4) bond length is 1.45 Å. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(7) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3,4); one N(2); and one N(8) atom. The C(2)-C(3,4) bond length is 1.45 Å. The C(2)-N(2) bond length is 1.36 Å. The C(2)-N(8) bond length is 1.35 Å. In the third C site, C(3,4) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(9) atom. The C(3,4)-C(5) bond length is 1.41 Å. The C(3,4)-C(9) bond length is 1.41 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(3,4); one C(7); and one H(1,2) atom. The C(5)-C(7) bond length is 1.38 Å. The C(5)-H(1,2) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(3,4); one C(8); and one H(1,2) atom. The C(6)-C(3,4) bond length is 1.41 Å. The C(6)-C(8) bond length is 1.38 Å. The C(6)-H(1,2) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(9), and one H(3) atom. The C(7)-N(9) bond length is 1.35 Å. The C(7)-H(3) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(6), one N(10), and one H(4) atom. The C(8)-N(10) bond length is 1.35 Å. The C(8)-H(4) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(11); one C(3,4); and one H(5,6) atom. The C(9)-C(11) bond length is 1.38 Å. The C(9)-H(5,6) bond length is 1.09 Å. In the ninth C site, C(10) is bonded in a distorted single-bond geometry to one C(12); one C(3,4); and one H(5,6) atom. The C(10)-C(12) bond length is 1.38 Å. The C(10)-C(3,4) bond length is 1.41 Å. The C(10)-H(5,6) bond length is 1.09 Å. In the tenth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(9), one N(9), and one H(7) atom. The C(11)-N(9) bond length is 1.35 Å. The C(11)-H(7) bond length is 1.09 Å. In the eleventh C site, C(12) is bonded in a distorted trigonal planar geometry to one C(10), one N(10), and one H(8) atom. The C(12)-N(10) bond length is 1.35 Å. The C(12)-H(8) bond length is 1.09 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(4), one C(1), and one N(3) atom. The N(1)-N(3) bond length is 1.34 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cu(3), one C(2), and one N(4) atom. The N(2)-N(4) bond length is 1.34 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(1), and one N(5) atom. The N(3)-N(5) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(2), and one N(6) atom. The N(4)-N(6) bond length is 1.34 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one N(3), one N(7), and one H(10) atom. The N(5)-N(7) bond length is 1.33 Å. The N(5)-H(10) bond length is 1.81 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one N(4), one N(8), and one H(9) atom. The N(6)-N(8) bond length is 1.33 Å. The N(6)-H(9) bond length is 1.81 Å. In the seventh N site, N(7) is bonded in a distorted water-like geometry to one C(1) and one N(5) atom. In the eighth N site, N(8) is bonded in a distorted water-like geometry to one C(2) and one N(6) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(11), one C(7), and one H(9) atom. The N(9)-H(9) bond length is 1.06 Å. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one C(12), one C(8), and one H(10) atom. The N(10)-H(10) bond length is 1.06 Å. There are eight inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(5,6) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one N(6) and one N(9) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one N(10) and one N(5) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(3) atoms. In the second I site, I(2) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(4) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Cu(4) and two equivalent Cu(1) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Cu(3) and two equivalent Cu(2) atoms. Linkers: 1 [CH]1C=C(C2=NN=N[N]2)C=CN1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 2.11 A, density 3.39 g/cm3, surface area 2289.47 m2/g, accessible volume 0.04 cm3/g