CuC36N7H27O3I is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CuC36N7H27O3I clusters. Cu(1) is bonded in a distorted bent 120 degrees geometry to one N(3), one N(5), and two equivalent I(1) atoms. The Cu(1)-N(3) bond length is 1.99 Å. The Cu(1)-N(5) bond length is 1.99 Å. There is one shorter (2.66 Å) and one longer (2.71 Å) Cu(1)-I(1) bond length. There are thirty-six inequivalent C sites. In the first C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. The C(5)-C(4) bond length is 1.40 Å. The C(5)-H(3) bond length is 1.09 Å. In the second C site, C(6) is bonded in a distorted single-bond geometry to one C(1) and one H(1,4) atom. The C(6)-C(1) bond length is 1.41 Å. The C(6)-H(1,4) bond length is 1.09 Å. In the third C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one O(1) atom. The C(7)-C(8) bond length is 1.49 Å. The C(7)-N(2) bond length is 1.35 Å. The C(7)-O(1) bond length is 1.26 Å. In the fourth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the fifth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(5) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(5) bond length is 1.09 Å. In the sixth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(3), and one H(6) atom. The C(10)-N(3) bond length is 1.35 Å. The C(10)-H(6) bond length is 1.09 Å. In the seventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one N(3), and one H(7) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-N(3) bond length is 1.35 Å. The C(11)-H(7) bond length is 1.09 Å. In the eighth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(8), and one H(8) atom. The C(12)-H(8) bond length is 1.09 Å. In the ninth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14), one C(18), and one N(1) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-C(18) bond length is 1.40 Å. The C(13)-N(1) bond length is 1.42 Å. In the tenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one H(9) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-H(9) bond length is 1.09 Å. In the eleventh C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(16), and one H(10) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-H(10) bond length is 1.09 Å. In the twelfth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one N(4) atom. The C(16)-C(17) bond length is 1.40 Å. The C(16)-N(4) bond length is 1.41 Å. In the thirteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(11) atom. The C(17)-H(11) bond length is 1.09 Å. In the fourteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(13) and one H(12) atom. The C(18)-H(12) bond length is 1.09 Å. In the fifteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(20), one N(4), and one O(2) atom. The C(19)-C(20) bond length is 1.49 Å. The C(19)-N(4) bond length is 1.35 Å. The C(19)-O(2) bond length is 1.25 Å. In the sixteenth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(24) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(24) bond length is 1.40 Å. In the seventeenth C site, C(21) is bonded in a distorted single-bond geometry to one C(20), one C(22), and one H(13) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-H(13) bond length is 1.09 Å. In the eighteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one N(5), and one H(14) atom. The C(22)-N(5) bond length is 1.35 Å. The C(22)-H(14) bond length is 1.09 Å. In the nineteenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(15) atom. The C(23)-N(5) bond length is 1.35 Å. The C(23)-H(15) bond length is 1.09 Å. In the twentieth C site, C(24) is bonded in a distorted single-bond geometry to one C(20) and one H(16) atom. The C(24)-H(16) bond length is 1.09 Å. In the twenty-first C site, C(25) is bonded in a distorted trigonal planar geometry to one C(26), one C(30), and one N(1) atom. The C(25)-C(26) bond length is 1.41 Å. The C(25)-C(30) bond length is 1.41 Å. The C(25)-N(1) bond length is 1.41 Å. In the twenty-second C site, C(26) is bonded in a distorted single-bond geometry to one C(25), one C(27), and one H(17) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-H(17) bond length is 1.09 Å. In the twenty-third C site, C(27) is bonded in a distorted trigonal planar geometry to one C(26), one C(28), and one H(18) atom. The C(27)-C(28) bond length is 1.41 Å. The C(27)-H(18) bond length is 1.09 Å. In the twenty-fourth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one N(6) atom. The C(28)-C(29) bond length is 1.40 Å. The C(28)-N(6) bond length is 1.40 Å. In the twenty-fifth C site, C(29) is bonded in a distorted single-bond geometry to one C(28) and one H(19) atom. The C(29)-H(19) bond length is 1.09 Å. In the twenty-sixth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(36), one N(7), and one H(23) atom. The C(35)-C(36) bond length is 1.39 Å. The C(35)-N(7) bond length is 1.34 Å. The C(35)-H(23) bond length is 1.09 Å. In the twenty-seventh C site, C(30) is bonded in a distorted single-bond geometry to one C(25) and one H(20) atom. The C(30)-H(20) bond length is 1.09 Å. In the twenty-eighth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(32), one N(6), and one O(3) atom. The C(31)-C(32) bond length is 1.50 Å. The C(31)-N(6) bond length is 1.37 Å. The C(31)-O(3) bond length is 1.24 Å. In the twenty-ninth C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(36) atom. The C(32)-C(33) bond length is 1.40 Å. The C(32)-C(36) bond length is 1.40 Å. In the thirtieth 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 1.40 Å. The C(1)-N(1) bond length is 1.41 Å. In the thirty-first C site, C(33) is bonded in a distorted single-bond geometry to one C(32), one C(34), and one H(21) atom. The C(33)-C(34) bond length is 1.39 Å. The C(33)-H(21) bond length is 1.09 Å. In the thirty-second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1,4) atom. The C(2)-H(1,4) bond length is 1.09 Å. In the thirty-third C site, C(34) is bonded in a distorted trigonal planar geometry to one C(33), one N(7), and one H(22) atom. The C(34)-N(7) bond length is 1.34 Å. The C(34)-H(22) bond length is 1.09 Å. In the thirty-fourth C site, C(36) is bonded in a distorted trigonal planar geometry to one C(32), one C(35), and one H(24) atom. The C(36)-H(24) bond length is 1.09 Å. In the thirty-fifth C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(2) bond length is 1.09 Å. In the thirty-sixth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(2) atom. The C(4)-N(2) bond length is 1.41 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(13), and one C(25) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(4), one C(7), and one H(25) atom. The N(2)-H(25) bond length is 1.03 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(11) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(16), one C(19), and one H(26) atom. The N(4)-H(26) bond length is 1.03 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(22), and one C(23) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(28), one C(31), and one H(27) atom. The N(6)-H(27) bond length is 1.01 Å. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one C(34) and one C(35) atom. There are twenty-six inequivalent H sites. In the first H site, H(1,4) 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(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) 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. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(22) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(23) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(26) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(27) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(29) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(30) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(33) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(34) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(35) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(36) atom. In the twenty-fourth H site, H(25) is bonded in a single-bond geometry to one N(2) atom. In the twenty-fifth H site, H(26) is bonded in a single-bond geometry to one N(4) atom. In the twenty-sixth H site, H(27) is bonded in a single-bond geometry to one N(6) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(19) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(31) atom. I(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Linkers: 2 O=C(Nc1ccc(N(c2ccc(NC(=O)c3ccncc3)cc2)c2ccc(NC(=O)c3ccncc3)cc2)cc1)c1ccncc1 ,4 O=C(Nc1ccc(N(c2ccc(NC(=O)c3ccncc3)cc2)c2ccc(NC(=O)c3ccncc3)cc2)cc1)c1c[c]ncc1. Metal clusters: 2 I[Cu][Cu]I. The MOF has largest included sphere 5.53 A, density 1.25 g/cm3, surface area 4478.80 m2/g, accessible volume 0.37 cm3/g