Cu2C7H8(N2I)2 crystallizes in the monoclinic Cc space group. The structure consists of a Cu2C7H8(N2I)2 framework. There are twelve inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one N(1,2,3); one I(1); one I(10); and one I(4) atom. The Cu(1)-N(1,2,3) bond length is 1.99 Å. The Cu(1)-I(1) bond length is 2.65 Å. The Cu(1)-I(10) bond length is 2.81 Å. The Cu(1)-I(4) bond length is 2.84 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one N(1,2,3); one I(11); one I(2); and one I(5) atom. The Cu(2)-N(1,2,3) bond length is 1.99 Å. The Cu(2)-I(11) bond length is 2.80 Å. The Cu(2)-I(2) bond length is 2.65 Å. The Cu(2)-I(5) bond length is 2.84 Å. In the third Cu site, Cu(3) is bonded in a distorted single-bond geometry to one N(1,2,3); one I(12); one I(3); and one I(6) atom. The Cu(3)-N(1,2,3) bond length is 1.99 Å. The Cu(3)-I(12) bond length is 2.80 Å. The Cu(3)-I(3) bond length is 2.65 Å. The Cu(3)-I(6) bond length is 2.84 Å. In the fourth Cu site, Cu(4) is bonded in a distorted single-bond geometry to one N(5,6); one I(1); one I(4); and one I(7) atom. The Cu(4)-N(5,6) bond length is 1.99 Å. The Cu(4)-I(1) bond length is 2.84 Å. The Cu(4)-I(4) bond length is 2.66 Å. The Cu(4)-I(7) bond length is 2.79 Å. In the fifth Cu site, Cu(5) is bonded in a distorted single-bond geometry to one N(4), one I(2), one I(5), and one I(8) atom. The Cu(5)-N(4) bond length is 1.99 Å. The Cu(5)-I(2) bond length is 2.84 Å. The Cu(5)-I(5) bond length is 2.66 Å. The Cu(5)-I(8) bond length is 2.80 Å. In the sixth Cu site, Cu(6) is bonded in a distorted single-bond geometry to one N(5,6); one I(3); one I(6); and one I(9) atom. The Cu(6)-N(5,6) bond length is 1.99 Å. The Cu(6)-I(3) bond length is 2.84 Å. The Cu(6)-I(6) bond length is 2.66 Å. The Cu(6)-I(9) bond length is 2.80 Å. In the seventh Cu site, Cu(7) is bonded in a distorted single-bond geometry to one N(7), one I(10), one I(4), and one I(7) atom. The Cu(7)-N(7) bond length is 1.98 Å. The Cu(7)-I(10) bond length is 2.78 Å. The Cu(7)-I(4) bond length is 2.72 Å. The Cu(7)-I(7) bond length is 2.65 Å. In the eighth Cu site, Cu(8) is bonded in a distorted single-bond geometry to one N(8), one I(11), one I(5), and one I(8) atom. The Cu(8)-N(8) bond length is 1.98 Å. The Cu(8)-I(11) bond length is 2.78 Å. The Cu(8)-I(5) bond length is 2.72 Å. The Cu(8)-I(8) bond length is 2.65 Å. In the ninth Cu site, Cu(9) is bonded in a distorted single-bond geometry to one N(9), one I(12), one I(6), and one I(9) atom. The Cu(9)-N(9) bond length is 1.98 Å. The Cu(9)-I(12) bond length is 2.78 Å. The Cu(9)-I(6) bond length is 2.72 Å. The Cu(9)-I(9) bond length is 2.65 Å. In the tenth Cu site, Cu(10) is bonded in a distorted single-bond geometry to one N(18), one I(1), one I(10), and one I(7) atom. The Cu(10)-N(18) bond length is 1.98 Å. The Cu(10)-I(1) bond length is 2.74 Å. The Cu(10)-I(10) bond length is 2.63 Å. The Cu(10)-I(7) bond length is 2.78 Å. In the eleventh Cu site, Cu(11) is bonded in a distorted single-bond geometry to one N(16,17); one I(11); one I(2); and one I(8) atom. The Cu(11)-N(16,17) bond length is 1.98 Å. The Cu(11)-I(11) bond length is 2.64 Å. The Cu(11)-I(2) bond length is 2.73 Å. The Cu(11)-I(8) bond length is 2.78 Å. In the twelfth Cu site, Cu(12) is bonded in a distorted single-bond geometry to one N(16,17); one I(12); one I(3); and one I(9) atom. The Cu(12)-N(16,17) bond length is 1.98 Å. The Cu(12)-I(12) bond length is 2.63 Å. The Cu(12)-I(3) bond length is 2.73 Å. The Cu(12)-I(9) bond length is 2.78 Å. There are thirty-two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(13,15); one N(1,2,3); and one H(1,2,3) atom. The C(1)-C(13,15) bond length is 1.37 Å. The C(1)-N(1,2,3) bond length is 1.39 Å. The C(1)-H(1,2,3) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(14); one N(1,2,3); and one H(1,2,3) atom. The C(2)-C(14) bond length is 1.37 Å. The C(2)-N(1,2,3) bond length is 1.39 Å. The C(2)-H(1,2,3) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(13,15); one N(1,2,3); and one H(1,2,3) atom. The C(3)-C(13,15) bond length is 1.37 Å. The C(3)-N(1,2,3) bond length is 1.39 Å. The C(3)-H(1,2,3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(1,2,3); one N(10); and one H(4,5,6) atom. The C(4)-N(1,2,3) bond length is 1.33 Å. The C(4)-N(10) bond length is 1.36 Å. The C(4)-H(4,5,6) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(1,2,3); one N(11,12); and one H(4,5,6) atom. The C(5)-N(1,2,3) bond length is 1.33 Å. The C(5)-N(11,12) bond length is 1.36 Å. The C(5)-H(4,5,6) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(1,2,3); one N(11,12); and one H(4,5,6) atom. The C(6)-N(1,2,3) bond length is 1.33 Å. The C(6)-N(11,12) bond length is 1.36 Å. The C(6)-H(4,5,6) bond length is 1.08 Å. In the seventh C site, C(7,8) is bonded in a distorted bent 120 degrees geometry to one C(40), one N(22), and one H(7) atom. The C(7,8)-C(40) bond length is 1.37 Å. The C(7,8)-N(22) bond length is 1.39 Å. The C(7,8)-H(7) bond length is 1.08 Å. In the eighth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(42); one N(24); and one H(8,9) atom. The C(9)-C(42) bond length is 1.37 Å. The C(9)-N(24) bond length is 1.39 Å. The C(9)-H(8,9) bond length is 1.08 Å. In the ninth C site, C(10,11,12) is bonded in a distorted bent 120 degrees geometry to one C(31), one N(13), and one H(10) atom. The C(10,11,12)-C(31) bond length is 1.37 Å. The C(10,11,12)-N(13) bond length is 1.39 Å. The C(10,11,12)-H(10) bond length is 1.08 Å. In the tenth C site, C(13,15) is bonded in a distorted bent 120 degrees geometry to one C(1); one N(10); and one H(13,16) atom. The C(13,15)-N(10) bond length is 1.38 Å. The C(13,15)-H(13,16) bond length is 1.08 Å. In the eleventh C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(2); one N(11,12); and one H(14,15) atom. The C(14)-N(11,12) bond length is 1.38 Å. The C(14)-H(14,15) bond length is 1.08 Å. In the twelfth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(34,35); one N(19); and one H(13,16) atom. The C(16)-C(34,35) bond length is 1.37 Å. The C(16)-N(19) bond length is 1.38 Å. The C(16)-H(13,16) bond length is 1.08 Å. In the thirteenth C site, C(17,18) is bonded in a distorted bent 120 degrees geometry to one C(34,35); one N(20,21); and one H(17,18) atom. The C(17,18)-C(34,35) bond length is 1.37 Å. The C(17,18)-N(20,21) bond length is 1.38 Å. The C(17,18)-H(17,18) bond length is 1.08 Å. In the fourteenth C site, C(19,21) is bonded in a tetrahedral geometry to one N(10); one N(19); one H(19,20,21); and one H(22,23,24) atom. The C(19,21)-N(10) bond length is 1.45 Å. The C(19,21)-N(19) bond length is 1.45 Å. The C(19,21)-H(19,20,21) bond length is 1.10 Å. The C(19,21)-H(22,23,24) bond length is 1.10 Å. In the fifteenth C site, C(20) is bonded in a tetrahedral geometry to one N(11,12); one N(20,21); one H(19,20,21); and one H(22,23,24) atom. The C(20)-N(11,12) bond length is 1.45 Å. The C(20)-N(20,21) bond length is 1.45 Å. The C(20)-H(19,20,21) bond length is 1.10 Å. The C(20)-H(22,23,24) bond length is 1.10 Å. In the sixteenth C site, C(22,23) is bonded in a tetrahedral geometry to one N(13), one N(22), one H(25), and one H(28) atom. The C(22,23)-N(13) bond length is 1.45 Å. The C(22,23)-N(22) bond length is 1.45 Å. The C(22,23)-H(25) bond length is 1.10 Å. The C(22,23)-H(28) bond length is 1.10 Å. In the seventeenth C site, C(24) is bonded in a tetrahedral geometry to one N(14,15); one N(24); one H(26,27); and one H(29,30) atom. The C(24)-N(14,15) bond length is 1.45 Å. The C(24)-N(24) bond length is 1.45 Å. The C(24)-H(26,27) bond length is 1.10 Å. The C(24)-H(29,30) bond length is 1.10 Å. In the eighteenth C site, C(25) is bonded in a trigonal planar geometry to one N(16,17); one N(22); and one H(31,32) atom. The C(25)-N(16,17) bond length is 1.32 Å. The C(25)-N(22) bond length is 1.37 Å. The C(25)-H(31,32) bond length is 1.08 Å. In the nineteenth C site, C(26) is bonded in a trigonal planar geometry to one N(16,17); one N(23); and one H(31,32) atom. The C(26)-N(16,17) bond length is 1.32 Å. The C(26)-N(23) bond length is 1.37 Å. The C(26)-H(31,32) bond length is 1.09 Å. In the twentieth C site, C(27) is bonded in a trigonal planar geometry to one N(18), one N(24), and one H(33) atom. The C(27)-N(18) bond length is 1.32 Å. The C(27)-N(24) bond length is 1.37 Å. The C(27)-H(33) bond length is 1.09 Å. In the twenty-first C site, C(28,29) is bonded in a trigonal planar geometry to one N(13), one N(7), and one H(34) atom. The C(28,29)-N(13) bond length is 1.37 Å. The C(28,29)-N(7) bond length is 1.32 Å. The C(28,29)-H(34) bond length is 1.09 Å. In the twenty-second C site, C(30) is bonded in a trigonal planar geometry to one N(14,15); one N(9); and one H(35,36) atom. The C(30)-N(14,15) bond length is 1.37 Å. The C(30)-N(9) bond length is 1.32 Å. The C(30)-H(35,36) bond length is 1.09 Å. In the twenty-third C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(7); and one H(37,38,39) atom. The C(31)-N(7) bond length is 1.38 Å. The C(31)-H(37,38,39) bond length is 1.08 Å. In the twenty-fourth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(8); and one H(37,38,39) atom. The C(32)-C(10,11,12) bond length is 1.37 Å. The C(32)-N(8) bond length is 1.38 Å. The C(32)-H(37,38,39) bond length is 1.08 Å. In the twenty-fifth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(9); and one H(37,38,39) atom. The C(33)-C(10,11,12) bond length is 1.37 Å. The C(33)-N(9) bond length is 1.38 Å. The C(33)-H(37,38,39) bond length is 1.08 Å. In the twenty-sixth C site, C(34,35) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(4), and one H(40) atom. The C(34,35)-N(4) bond length is 1.39 Å. The C(34,35)-H(40) bond length is 1.09 Å. In the twenty-seventh C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(17,18); one N(5,6); and one H(41,42) atom. The C(36)-C(17,18) bond length is 1.37 Å. The C(36)-N(5,6) bond length is 1.39 Å. The C(36)-H(41,42) bond length is 1.09 Å. In the twenty-eighth C site, C(37,38) is bonded in a trigonal planar geometry to one N(19), one N(4), and one H(43) atom. The C(37,38)-N(19) bond length is 1.36 Å. The C(37,38)-N(4) bond length is 1.33 Å. The C(37,38)-H(43) bond length is 1.09 Å. In the twenty-ninth C site, C(39) is bonded in a trigonal planar geometry to one N(20,21); one N(5,6); and one H(44,45) atom. The C(39)-N(20,21) bond length is 1.36 Å. The C(39)-N(5,6) bond length is 1.33 Å. The C(39)-H(44,45) bond length is 1.09 Å. In the thirtieth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(7,8); one N(16,17); and one H(46,47) atom. The C(40)-N(16,17) bond length is 1.38 Å. The C(40)-H(46,47) bond length is 1.08 Å. In the thirty-first C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(7,8); one N(16,17); and one H(46,47) atom. The C(41)-C(7,8) bond length is 1.37 Å. The C(41)-N(16,17) bond length is 1.38 Å. The C(41)-H(46,47) bond length is 1.08 Å. In the thirty-second C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(18), and one H(48) atom. The C(42)-N(18) bond length is 1.38 Å. The C(42)-H(48) bond length is 1.08 Å. There are seventeen inequivalent N sites. In the first N site, N(1,2,3) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(4) atom. In the second N site, N(4) is bonded in a trigonal planar geometry to one Cu(5); one C(34,35); and one C(37,38) atom. In the third N site, N(5,6) is bonded in a trigonal planar geometry to one Cu(6); one C(34,35); and one C(37,38) atom. The N(5,6)-C(34,35) bond length is 1.39 Å. The N(5,6)-C(37,38) bond length is 1.33 Å. In the fourth N site, N(7) is bonded in a trigonal planar geometry to one Cu(7); one C(28,29); and one C(31) atom. In the fifth N site, N(8) is bonded in a trigonal planar geometry to one Cu(8); one C(28,29); and one C(32) atom. The N(8)-C(28,29) bond length is 1.32 Å. In the sixth N site, N(9) is bonded in a trigonal planar geometry to one Cu(9), one C(30), and one C(33) atom. In the seventh N site, N(10) is bonded in a trigonal planar geometry to one C(13,15); one C(19,21); and one C(4) atom. In the eighth N site, N(11,12) is bonded in a trigonal planar geometry to one C(14), one C(20), and one C(5) atom. In the ninth N site, N(13) is bonded in a trigonal planar geometry to one C(10,11,12); one C(22,23); and one C(28,29) atom. In the tenth N site, N(14,15) is bonded in a trigonal planar geometry to one C(10,11,12); one C(22,23); and one C(28,29) atom. The N(14,15)-C(10,11,12) bond length is 1.39 Å. The N(14,15)-C(22,23) bond length is 1.45 Å. The N(14,15)-C(28,29) bond length is 1.37 Å. In the eleventh N site, N(16,17) is bonded in a trigonal planar geometry to one Cu(11), one C(25), and one C(40) atom. In the twelfth N site, N(18) is bonded in a trigonal planar geometry to one Cu(10), one C(27), and one C(42) atom. In the thirteenth N site, N(19) is bonded in a trigonal planar geometry to one C(16); one C(19,21); and one C(37,38) atom. In the fourteenth N site, N(20,21) is bonded in a trigonal planar geometry to one C(17,18); one C(20); and one C(37,38) atom. The N(20,21)-C(37,38) bond length is 1.36 Å. In the fifteenth N site, N(22) is bonded in a trigonal planar geometry to one C(22,23); one C(25); and one C(7,8) atom. In the sixteenth N site, N(23) is bonded in a trigonal planar geometry to one C(22,23); one C(26); and one C(7,8) atom. The N(23)-C(22,23) bond length is 1.45 Å. The N(23)-C(7,8) bond length is 1.39 Å. In the seventeenth N site, N(24) is bonded in a trigonal planar geometry to one C(24), one C(27), and one C(9) atom. There are twenty-six inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(4,5,6) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(7,8) atom. In the fourth H site, H(8,9) is bonded in a single-bond geometry to one C(7,8) atom. The H(8,9)-C(7,8) bond length is 1.08 Å. In the fifth H site, H(10) is bonded in a single-bond geometry to one C(10,11,12) atom. In the sixth H site, H(11,12) is bonded in a single-bond geometry to one C(10,11,12) atom. The H(11,12)-C(10,11,12) bond length is 1.08 Å. In the seventh H site, H(13,16) is bonded in a single-bond geometry to one C(13,15) atom. In the eighth H site, H(14,15) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(17,18) is bonded in a single-bond geometry to one C(17,18) atom. In the tenth H site, H(19,20,21) is bonded in a single-bond geometry to one C(19,21) atom. In the eleventh H site, H(22,23,24) is bonded in a single-bond geometry to one C(19,21) atom. In the twelfth H site, H(25) is bonded in a single-bond geometry to one C(22,23) atom. In the thirteenth H site, H(26,27) is bonded in a single-bond geometry to one C(22,23) atom. The H(26,27)-C(22,23) bond length is 1.10 Å. In the fourteenth H site, H(28) is bonded in a single-bond geometry to one C(22,23) atom. In the fifteenth H site, H(29,30) is bonded in a single-bond geometry to one C(22,23) atom. The H(29,30)-C(22,23) bond length is 1.10 Å. In the sixteenth H site, H(31,32) is bonded in a single-bond geometry to one C(25) atom. In the seventeenth H site, H(33) is bonded in a single-bond geometry to one C(27) atom. In the eighteenth H site, H(34) is bonded in a single-bond geometry to one C(28,29) atom. In the nineteenth H site, H(35,36) is bonded in a single-bond geometry to one C(28,29) atom. The H(35,36)-C(28,29) bond length is 1.09 Å. In the twentieth H site, H(37,38,39) is bonded in a single-bond geometry to one C(31) atom. In the twenty-first H site, H(40) is bonded in a single-bond geometry to one C(34,35) atom. In the twenty-second H site, H(41,42) is bonded in a single-bond geometry to one C(34,35) atom. The H(41,42)-C(34,35) bond length is 1.09 Å. In the twenty-third H site, H(43) is bonded in a single-bond geometry to one C(37,38) atom. In the twenty-fourth H site, H(44,45) is bonded in a single-bond geometry to one C(37,38) atom. The H(44,45)-C(37,38) bond length is 1.09 Å. In the twenty-fifth H site, H(46,47) is bonded in a single-bond geometry to one C(40) atom. In the twenty-sixth H site, H(48) is bonded in a single-bond geometry to one C(42) atom. There are twelve inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(10), and one Cu(4) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Cu(11), one Cu(2), and one Cu(5) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cu(12), one Cu(3), and one Cu(6) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(4), and one Cu(7) atom. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one Cu(8) atom. In the sixth I site, I(6) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(6), and one Cu(9) atom. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one Cu(10), one Cu(4), and one Cu(7) atom. In the eighth I site, I(8) is bonded in a 3-coordinate geometry to one Cu(11), one Cu(5), and one Cu(8) atom. In the ninth I site, I(9) is bonded in a 3-coordinate geometry to one Cu(12), one Cu(6), and one Cu(9) atom. In the tenth I site, I(10) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(10), and one Cu(7) atom. In the eleventh I site, I(11) is bonded in a 3-coordinate geometry to one Cu(11), one Cu(2), and one Cu(8) atom. In the twelfth I site, I(12) is bonded in a 3-coordinate geometry to one Cu(12), one Cu(3), and one Cu(9) atom. Linkers: 11 c1cn(Cn2ccnc2)cn1. Metal clusters: 4 I[Cu@]12[Cu@]3(I)[Cu@@]1(I)[Cu@]23I ,8 [Cu]. The MOF has largest included sphere 7.80 A, density 2.11 g/cm3, surface area 2712.83 m2/g, accessible volume 0.24 cm3/g