Cu2C11N7H14I2CH crystallizes in the triclinic P-1 space group. The structure consists of six 02329_fluka molecules inside a Cu2C11N7H14I2 framework. In the Cu2C11N7H14I2 framework, there are three inequivalent Cu sites. In the first Cu site, Cu(1,2,3) is bonded in a distorted water-like geometry to one N(1); one N(7,9); one I(1,3); and one I(4,6) atom. The Cu(1,2,3)-N(1) bond length is 2.01 Å. The Cu(1,2,3)-N(7,9) bond length is 2.01 Å. The Cu(1,2,3)-I(1,3) bond length is 2.67 Å. The Cu(1,2,3)-I(4,6) bond length is 2.70 Å. In the second Cu site, Cu(4,6) is bonded in a 1-coordinate geometry to one N(15); one I(1,3); and two equivalent I(4,6) atoms. The Cu(4,6)-N(15) bond length is 2.01 Å. The Cu(4,6)-I(1,3) bond length is 2.59 Å. There is one shorter (2.63 Å) and one longer (2.80 Å) Cu(4,6)-I(4,6) bond length. In the third Cu site, Cu(5) is bonded in a 1-coordinate geometry to one N(13), one I(2), and two equivalent I(5) atoms. The Cu(5)-N(13) bond length is 2.01 Å. The Cu(5)-I(2) bond length is 2.59 Å. There is one shorter (2.63 Å) and one longer (2.80 Å) Cu(5)-I(5) bond length. There are twenty-two inequivalent C sites. In the first C site, C(16,18) is bonded in a distorted bent 120 degrees geometry to one C(13,14,15); one N(10,11,12); and one H(16,17,18) atom. The C(16,18)-C(13,14,15) bond length is 1.39 Å. The C(16,18)-N(10,11,12) bond length is 1.36 Å. The C(16,18)-H(16,17,18) bond length is 1.09 Å. In the second C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13,14,15); one N(10,11,12); and one H(16,17,18) atom. The C(17)-C(13,14,15) bond length is 1.39 Å. The C(17)-N(10,11,12) bond length is 1.36 Å. The C(17)-H(16,17,18) bond length is 1.09 Å. In the third C site, C(19) is bonded to one N(19,20,21); one N(4,5,6); one H(19,20,21); and one H(22,23,24) atom to form corner-sharing CH2N2 tetrahedra. The C(19)-N(19,20,21) bond length is 1.43 Å. The C(19)-N(4,5,6) bond length is 1.46 Å. The C(19)-H(19,20,21) bond length is 1.10 Å. The C(19)-H(22,23,24) bond length is 1.10 Å. In the fourth C site, C(20) is bonded to one N(19,20,21); one N(4,5,6); one H(19,20,21); and one H(22,23,24) atom to form corner-sharing CH2N2 tetrahedra. The C(20)-N(19,20,21) bond length is 1.43 Å. The C(20)-N(4,5,6) bond length is 1.46 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 fifth C site, C(21) is bonded to one N(19,20,21); one N(4,5,6); one H(19,20,21); and one H(22,23,24) atom to form corner-sharing CH2N2 tetrahedra. The C(21)-N(19,20,21) bond length is 1.43 Å. The C(21)-N(4,5,6) bond length is 1.46 Å. The C(21)-H(19,20,21) bond length is 1.10 Å. The C(21)-H(22,23,24) bond length is 1.10 Å. In the sixth C site, C(22) is bonded to one N(10,11,12); one N(19,20,21); one H(25,26,27); and one H(28,29,30) atom to form corner-sharing CH2N2 tetrahedra. The C(22)-N(10,11,12) bond length is 1.47 Å. The C(22)-N(19,20,21) bond length is 1.43 Å. The C(22)-H(25,26,27) bond length is 1.10 Å. The C(22)-H(28,29,30) bond length is 1.10 Å. In the seventh C site, C(23) is bonded to one N(10,11,12); one N(19,20,21); one H(25,26,27); and one H(28,29,30) atom to form corner-sharing CH2N2 tetrahedra. The C(23)-N(10,11,12) bond length is 1.47 Å. The C(23)-N(19,20,21) bond length is 1.43 Å. The C(23)-H(25,26,27) bond length is 1.10 Å. The C(23)-H(28,29,30) bond length is 1.10 Å. In the eighth C site, C(24) is bonded to one N(10,11,12); one N(19,20,21); one H(25,26,27); and one H(28,29,30) atom to form corner-sharing CH2N2 tetrahedra. The C(24)-N(10,11,12) bond length is 1.47 Å. The C(24)-N(19,20,21) bond length is 1.43 Å. The C(24)-H(25,26,27) bond length is 1.10 Å. The C(24)-H(28,29,30) bond length is 1.10 Å. In the ninth C site, C(25,26) is bonded in a distorted bent 120 degrees geometry to one C(28,30); one N(13); and one H(31,33) atom. The C(25,26)-C(28,30) bond length is 1.40 Å. The C(25,26)-N(13) bond length is 1.34 Å. The C(25,26)-H(31,33) bond length is 1.08 Å. In the tenth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(28,30); one N(15); and one H(31,33) atom. The C(27)-C(28,30) bond length is 1.40 Å. The C(27)-N(15) bond length is 1.34 Å. The C(27)-H(31,33) bond length is 1.08 Å. In the eleventh C site, C(28,30) is bonded in a distorted single-bond geometry to one C(25,26); one C(31,32); and one H(34,35) atom. The C(28,30)-C(31,32) bond length is 1.39 Å. The C(28,30)-H(34,35) bond length is 1.08 Å. In the twelfth C site, C(29) is bonded in a distorted single-bond geometry to one C(25,26); one C(31,32); and one H(34,35) atom. The C(29)-C(25,26) bond length is 1.40 Å. The C(29)-C(31,32) bond length is 1.39 Å. The C(29)-H(34,35) bond length is 1.08 Å. In the thirteenth C site, C(31,32) is bonded in a distorted bent 120 degrees geometry to one C(28,30); one N(16); and one H(37,39) atom. The C(31,32)-N(16) bond length is 1.36 Å. The C(31,32)-H(37,39) bond length is 1.09 Å. In the fourteenth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(28,30); one N(18); and one H(37,39) atom. The C(33)-C(28,30) bond length is 1.39 Å. The C(33)-N(18) bond length is 1.36 Å. The C(33)-H(37,39) bond length is 1.09 Å. In the fifteenth C site, C(34) is bonded to one N(16); one N(19,20,21); one H(40,41,42); and one H(43,44,45) atom to form corner-sharing CH2N2 tetrahedra. The C(34)-N(16) bond length is 1.47 Å. The C(34)-N(19,20,21) bond length is 1.43 Å. The C(34)-H(40,41,42) bond length is 1.10 Å. The C(34)-H(43,44,45) bond length is 1.10 Å. In the sixteenth C site, C(35) is bonded to one N(17); one N(19,20,21); one H(40,41,42); and one H(43,44,45) atom to form corner-sharing CH2N2 tetrahedra. The C(35)-N(17) bond length is 1.47 Å. The C(35)-N(19,20,21) bond length is 1.43 Å. The C(35)-H(40,41,42) bond length is 1.10 Å. The C(35)-H(43,44,45) bond length is 1.10 Å. In the seventeenth C site, C(36) is bonded to one N(18); one N(19,20,21); one H(40,41,42); and one H(43,44,45) atom to form corner-sharing CH2N2 tetrahedra. The C(36)-N(18) bond length is 1.47 Å. The C(36)-N(19,20,21) bond length is 1.43 Å. The C(36)-H(40,41,42) bond length is 1.10 Å. The C(36)-H(43,44,45) bond length is 1.10 Å. In the eighteenth C site, C(1,2,3) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1,2,3) atom. The C(1,2,3)-N(1) bond length is 1.34 Å. The C(1,2,3)-H(1,2,3) bond length is 1.08 Å. In the nineteenth C site, C(7,8) is bonded in a distorted bent 120 degrees geometry to one N(4,5,6) and one H(7,8,9) atom. The C(7,8)-N(4,5,6) bond length is 1.36 Å. The C(7,8)-H(7,8,9) bond length is 1.08 Å. In the twentieth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(4,5,6) and one H(7,8,9) atom. The C(9)-N(4,5,6) bond length is 1.36 Å. The C(9)-H(7,8,9) bond length is 1.08 Å. In the twenty-first C site, C(10,11,12) is bonded in a distorted bent 120 degrees geometry to one C(13,14,15); one N(7,9); and one H(10,11,12) atom. The C(10,11,12)-C(13,14,15) bond length is 1.41 Å. The C(10,11,12)-N(7,9) bond length is 1.35 Å. The C(10,11,12)-H(10,11,12) bond length is 1.09 Å. In the twenty-second C site, C(13,14,15) is bonded in a distorted single-bond geometry to one C(10,11,12); one C(16,18); and one H(13,14,15) atom. The C(13,14,15)-H(13,14,15) bond length is 1.08 Å. There are fourteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1,2,3); one C(1,2,3); and one N(4,5,6) atom. The N(1)-N(4,5,6) bond length is 1.36 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1,2,3); one C(1,2,3); and one N(4,5,6) atom. The N(2)-Cu(1,2,3) bond length is 2.01 Å. The N(2)-C(1,2,3) bond length is 1.34 Å. The N(2)-N(4,5,6) bond length is 1.36 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1,2,3); one C(1,2,3); and one N(4,5,6) atom. The N(3)-Cu(1,2,3) bond length is 2.01 Å. The N(3)-C(1,2,3) bond length is 1.34 Å. The N(3)-N(4,5,6) bond length is 1.36 Å. In the fourth N site, N(4,5,6) is bonded in a distorted trigonal planar geometry to one C(19); one C(7,8); and one N(1) atom. In the fifth N site, N(7,9) is bonded in a distorted trigonal planar geometry to one Cu(1,2,3); one C(10,11,12); and one N(10,11,12) atom. The N(7,9)-N(10,11,12) bond length is 1.36 Å. In the sixth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(1,2,3); one C(10,11,12); and one N(10,11,12) atom. The N(8)-Cu(1,2,3) bond length is 2.01 Å. The N(8)-C(10,11,12) bond length is 1.35 Å. The N(8)-N(10,11,12) bond length is 1.36 Å. In the seventh N site, N(10,11,12) is bonded in a distorted trigonal planar geometry to one C(16,18); one C(22); and one N(7,9) atom. In the eighth N site, N(13) is bonded in a distorted trigonal planar geometry to one Cu(5); one C(25,26); and one N(16) atom. The N(13)-N(16) bond length is 1.36 Å. In the ninth N site, N(14) is bonded in a distorted trigonal planar geometry to one Cu(4,6); one C(25,26); and one N(17) atom. The N(14)-Cu(4,6) bond length is 2.01 Å. The N(14)-C(25,26) bond length is 1.34 Å. The N(14)-N(17) bond length is 1.36 Å. In the tenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Cu(4,6); one C(27); and one N(18) atom. The N(15)-N(18) bond length is 1.36 Å. In the eleventh N site, N(16) is bonded in a distorted trigonal planar geometry to one C(31,32); one C(34); and one N(13) atom. In the twelfth N site, N(17) is bonded in a distorted trigonal planar geometry to one C(31,32); one C(35); and one N(14) atom. The N(17)-C(31,32) bond length is 1.36 Å. In the thirteenth N site, N(18) is bonded in a distorted trigonal planar geometry to one C(33), one C(36), and one N(15) atom. In the fourteenth N site, N(19,20,21) is bonded in a trigonal planar geometry to one C(19), one C(22), and one C(34) atom. There are seventeen inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(1,2,3) atom. In the second H site, H(7,8,9) is bonded in a single-bond geometry to one C(7,8) atom. In the third H site, H(10,11,12) is bonded in a single-bond geometry to one C(10,11,12) atom. In the fourth H site, H(13,14,15) is bonded in a single-bond geometry to one C(13,14,15) atom. In the fifth H site, H(16,17,18) is bonded in a single-bond geometry to one C(16,18) atom. In the sixth H site, H(19,20,21) is bonded in a single-bond geometry to one C(19) atom. In the seventh H site, H(22,23,24) is bonded in a single-bond geometry to one C(19) atom. In the eighth H site, H(25,26,27) is bonded in a single-bond geometry to one C(22) atom. In the ninth H site, H(28,29,30) is bonded in a single-bond geometry to one C(22) atom. In the tenth H site, H(31,33) is bonded in a single-bond geometry to one C(25,26) atom. In the eleventh H site, H(32) is bonded in a single-bond geometry to one C(25,26) atom. The H(32)-C(25,26) bond length is 1.08 Å. In the twelfth H site, H(34,35) is bonded in a single-bond geometry to one C(28,30) atom. In the thirteenth H site, H(36) is bonded in a single-bond geometry to one C(28,30) atom. The H(36)-C(28,30) bond length is 1.08 Å. In the fourteenth H site, H(37,39) is bonded in a single-bond geometry to one C(31,32) atom. In the fifteenth H site, H(38) is bonded in a single-bond geometry to one C(31,32) atom. The H(38)-C(31,32) bond length is 1.09 Å. In the sixteenth H site, H(40,41,42) is bonded in a single-bond geometry to one C(34) atom. In the seventeenth H site, H(43,44,45) is bonded in a single-bond geometry to one C(34) atom. There are four inequivalent I sites. In the first I site, I(1,3) is bonded in a 2-coordinate geometry to one Cu(1,2,3) and one Cu(4,6) atom. In the second I site, I(2) is bonded in a 2-coordinate geometry to one Cu(1,2,3) and one Cu(5) atom. The I(2)-Cu(1,2,3) bond length is 2.67 Å. In the third I site, I(4,6) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1,2,3) and two equivalent Cu(4,6) atoms. In the fourth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1,2,3) and two equivalent Cu(5) atoms. The I(5)-Cu(1,2,3) bond length is 2.70 Å. Linkers: 6 c1cnn(CN(Cn2cccn2)Cn2cccn2)c1. Metal clusters: 8 [Cu] ,1 [Cu][Cu](I)I.[Cu][Cu](I)I. The MOF has largest included sphere 6.64 A, density 2.34 g/cm3, surface area 3080.30 m2/g, accessible volume 0.12 cm3/g