CuC10N4H14I3 crystallizes in the monoclinic Cm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent N(1), one I(1), and one I(2) atom to form distorted corner-sharing CuI2N2 tetrahedra. Both Cu(1)-N(1) bond lengths are 1.96 Å. The Cu(1)-I(1) bond length is 2.70 Å. The Cu(1)-I(2) bond length is 2.68 Å. In the second Cu site, Cu(2) is bonded to two equivalent N(2), one I(1), and one I(2) atom to form distorted corner-sharing CuI2N2 tetrahedra. Both Cu(2)-N(2) bond lengths are 1.96 Å. The Cu(2)-I(1) bond length is 2.68 Å. The Cu(2)-I(2) bond length is 2.68 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(1), one H(3), and one H(5) atom. The C(1)-C(3) bond length is 1.49 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(3) bond length is 1.10 Å. The C(1)-H(5) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one H(2), one H(4), and one H(6) atom. The C(2)-C(4) bond length is 1.49 Å. The C(2)-H(2) bond length is 1.10 Å. The C(2)-H(4) bond length is 1.10 Å. The C(2)-H(6) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one C(5), and one N(1) atom. The C(3)-C(5) bond length is 1.42 Å. The C(3)-N(1) bond length is 1.35 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(2) atom. The C(4)-C(6) bond length is 1.42 Å. The C(4)-N(2) bond length is 1.35 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(3), one C(6), and one C(7) atom. The C(5)-C(6) bond length is 1.46 Å. The C(5)-C(7) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(4), one C(5), and one C(8) atom. The C(6)-C(8) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(5), one C(9), and one N(3) atom. The C(7)-C(9) bond length is 1.49 Å. The C(7)-N(3) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one C(6), and one N(4) atom. The C(8)-C(10) bond length is 1.49 Å. The C(8)-N(4) bond length is 1.35 Å. In the ninth C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one H(11), one H(7), and one H(9) atom. The C(9)-H(11) bond length is 1.10 Å. The C(9)-H(7) bond length is 1.10 Å. The C(9)-H(9) bond length is 1.10 Å. In the tenth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(10), one H(12), and one H(8) atom. The C(10)-H(10) bond length is 1.10 Å. The C(10)-H(12) bond length is 1.10 Å. The C(10)-H(8) bond length is 1.10 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one N(3) atom. The N(1)-N(3) 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 C(4), and one N(4) atom. The N(2)-N(4) bond length is 1.36 Å. In the third N site, N(3) is bonded in a 2-coordinate geometry to one C(7), one N(1), and one H(13) atom. The N(3)-H(13) bond length is 1.02 Å. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one C(8), one N(2), and one H(14) atom. The N(4)-H(14) bond length is 1.02 Å. There are fourteen 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(9) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(10) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one N(3) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one N(4) atom. There are six inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), and one I(3) atom. The I(1)-I(3) bond length is 3.08 Å. In the second I site, I(2) is bonded in a water-like geometry to one Cu(1), one Cu(2), and one I(4) atom. The I(2)-I(4) bond length is 3.23 Å. In the third I site, I(3) is bonded in a linear geometry to one I(1) and one I(5) atom. The I(3)-I(5) bond length is 2.86 Å. In the fourth I site, I(4) is bonded in a 2-coordinate geometry to one I(2) and one I(6) atom. The I(4)-I(6) bond length is 2.82 Å. In the fifth I site, I(5) is bonded in a distorted single-bond geometry to one I(3) atom. In the sixth I site, I(6) is bonded in a distorted single-bond geometry to one I(4) atom. Linkers: 2 Cc1n[nH]c(C)c1-c1c(C)n[nH]c1C. Metal clusters: 2 [Cu]. The MOF has largest included sphere 2.01 A, density 2.59 g/cm3, surface area 3133.04 m2/g, accessible volume 0.12 cm3/g