CuC8N2H10I crystallizes in the trigonal R-3 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one N(1), one N(4), one I(1), and one I(2) atom. The Cu(1)-N(1) bond length is 1.99 Å. The Cu(1)-N(4) bond length is 1.98 Å. The Cu(1)-I(1) bond length is 2.65 Å. The Cu(1)-I(2) bond length is 2.65 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one N(2), one N(3), one I(1), and one I(2) atom. The Cu(2)-N(2) bond length is 1.99 Å. The Cu(2)-N(3) bond length is 1.98 Å. The Cu(2)-I(1) bond length is 2.66 Å. The Cu(2)-I(2) bond length is 2.64 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(1) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(6) bond length is 1.49 Å. The C(1)-N(1) bond length is 1.33 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(3) atom. The C(2)-C(2) bond length is 1.40 Å. The C(2)-C(3) bond length is 1.41 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 N(2) atom. The C(3)-C(4) bond length is 1.49 Å. The C(3)-N(2) bond length is 1.33 Å. In the fourth C site, C(4) is bonded in a distorted water-like geometry to one C(3), one C(5), one H(1), and one H(2) atom. The C(4)-C(5) bond length is 1.55 Å. The C(4)-H(1) bond length is 1.10 Å. The C(4)-H(2) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a tetrahedral geometry to one C(4), one C(6), one C(7), and one C(8) atom. The C(5)-C(6) bond length is 1.55 Å. The C(5)-C(7) bond length is 1.54 Å. The C(5)-C(8) bond length is 1.53 Å. In the sixth C site, C(6) is bonded in a distorted water-like geometry to one C(1), one C(5), one H(3), and one H(4) atom. The C(6)-H(3) bond length is 1.10 Å. The C(6)-H(4) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one C(5); one H(6); and two equivalent H(5,7) atoms. The C(7)-H(6) bond length is 1.10 Å. Both C(7)-H(5,7) bond lengths are 1.10 Å. In the eighth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(5); one H(9); and two equivalent H(8,10) atoms. The C(8)-H(9) bond length is 1.10 Å. Both C(8)-H(8,10) bond lengths are 1.10 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(14), and one N(3) atom. The C(9)-C(10) bond length is 1.41 Å. The C(9)-C(14) bond length is 1.50 Å. The C(9)-N(3) bond length is 1.34 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(9) atom. The C(10)-C(10) bond length is 1.40 Å. The C(10)-C(11) bond length is 1.41 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one N(4) atom. The C(11)-C(12) bond length is 1.50 Å. The C(11)-N(4) bond length is 1.34 Å. In the twelfth C site, C(12) is bonded in a distorted water-like geometry to one C(11), one C(13), one H(11), and one H(12) atom. The C(12)-C(13) bond length is 1.55 Å. The C(12)-H(11) bond length is 1.11 Å. The C(12)-H(12) bond length is 1.10 Å. In the thirteenth C site, C(13) is bonded in a tetrahedral geometry to one C(12), one C(14), one C(15), and one C(16) atom. The C(13)-C(14) bond length is 1.55 Å. The C(13)-C(15) bond length is 1.53 Å. The C(13)-C(16) bond length is 1.53 Å. In the fourteenth C site, C(14) is bonded in a distorted water-like geometry to one C(13), one C(9), one H(13), and one H(14) atom. The C(14)-H(13) bond length is 1.10 Å. The C(14)-H(14) bond length is 1.11 Å. In the fifteenth C site, C(15) is bonded in a trigonal non-coplanar geometry to one C(13), one H(15), one H(16), and one H(17) atom. The C(15)-H(15) bond length is 1.10 Å. The C(15)-H(16) bond length is 1.10 Å. The C(15)-H(17) bond length is 1.10 Å. In the sixteenth C site, C(16) is bonded in a trigonal non-coplanar geometry to one C(13); one H(18); and two equivalent H(19,20) atoms. The C(16)-H(18) bond length is 1.10 Å. Both C(16)-H(19,20) bond lengths are 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(1), and one N(2) atom. The N(1)-N(2) bond length is 1.38 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(3), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(9), and one N(4) atom. The N(3)-N(4) bond length is 1.38 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(11), and one N(3) atom. There are seventeen inequivalent H sites. In the first H site, H(17) is bonded in a single-bond geometry to one C(15) atom. In the second H site, H(18) is bonded in a single-bond geometry to one C(16) atom. In the third H site, H(19,20) is bonded in a single-bond geometry to one C(16) atom. In the fourth H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(5,7) is bonded in a single-bond geometry to one C(7) atom. In the ninth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the tenth H site, H(8,10) is bonded in a single-bond geometry to one C(8) atom. In the eleventh H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the twelfth H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the fourteenth H site, H(13) is bonded in a single-bond geometry to one C(14) atom. In the fifteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the sixteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the seventeenth H site, H(16) is bonded in a single-bond geometry to one C(15) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted L-shaped geometry to one Cu(1) and one Cu(2) atom. In the second I site, I(2) is bonded in a distorted L-shaped geometry to one Cu(1) and one Cu(2) atom. Linkers: 6 CC1(C)Cc2nnc3c4c(nnc(c24)C1)CC(C)(C)C3. Metal clusters: 12 [Cu]. The MOF has largest included sphere 6.87 A, density 1.75 g/cm3, surface area 3285.49 m2/g, accessible volume 0.25 cm3/g