CuC5N2H7ICH2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six 02329_fluka molecules and one CuC5N2H7I cluster. In the CuC5N2H7I cluster, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one N(1), one I(1), and one I(3) atom. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-I(1) bond length is 2.57 Å. The Cu(1)-I(3) bond length is 2.66 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one N(5), one I(3), and two equivalent I(2) atoms. The Cu(2)-N(5) bond length is 1.99 Å. The Cu(2)-I(3) bond length is 2.64 Å. There is one shorter (2.65 Å) and one longer (2.79 Å) Cu(2)-I(2) bond length. In the third Cu site, Cu(3) is bonded in a distorted single-bond geometry to one N(3), one I(1), one I(2), and one I(3) atom. The Cu(3)-N(3) bond length is 2.00 Å. The Cu(3)-I(1) bond length is 2.72 Å. The Cu(3)-I(2) bond length is 2.66 Å. The Cu(3)-I(3) bond length is 2.79 Å. There are fifteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one H(1), one H(2), and one H(3) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. The C(1)-H(3) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one N(2) atom. The C(2)-N(1) bond length is 1.34 Å. The C(2)-N(2) bond length is 1.37 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(4) atom. The C(3)-C(4) bond length is 1.37 Å. The C(3)-N(1) bond length is 1.39 Å. The C(3)-H(4) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one H(5) atom. The C(4)-N(2) bond length is 1.38 Å. The C(4)-H(5) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(6), and one H(7) atom. The C(5)-N(2) bond length is 1.46 Å. The C(5)-H(6) bond length is 1.10 Å. The C(5)-H(7) bond length is 1.10 Å. In the sixth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(12), and one H(13) atom. The C(8)-N(4) bond length is 1.46 Å. The C(8)-H(12) bond length is 1.10 Å. The C(8)-H(13) bond length is 1.10 Å. In the seventh C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one C(10), one H(14), one H(15), and one H(16) atom. The C(9)-C(10) bond length is 1.48 Å. The C(9)-H(14) bond length is 1.10 Å. The C(9)-H(15) bond length is 1.10 Å. The C(9)-H(16) bond length is 1.10 Å. In the eighth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(3), and one N(4) atom. The C(10)-N(3) bond length is 1.34 Å. The C(10)-N(4) bond length is 1.37 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(4), and one H(17) atom. The C(11)-C(12) bond length is 1.37 Å. The C(11)-N(4) bond length is 1.38 Å. The C(11)-H(17) bond length is 1.09 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(3), and one H(18) atom. The C(12)-N(3) bond length is 1.38 Å. The C(12)-H(18) bond length is 1.08 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(14), one H(19), one H(20), and one H(21) atom. The C(13)-C(14) bond length is 1.48 Å. The C(13)-H(19) bond length is 1.10 Å. The C(13)-H(20) bond length is 1.09 Å. The C(13)-H(21) bond length is 1.10 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one N(5), and one N(6) atom. The C(14)-N(5) bond length is 1.34 Å. The C(14)-N(6) bond length is 1.36 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(5), and one H(22) atom. The C(15)-C(16) bond length is 1.37 Å. The C(15)-N(5) bond length is 1.38 Å. The C(15)-H(22) bond length is 1.08 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(6), and one H(23) atom. The C(16)-N(6) bond length is 1.38 Å. The C(16)-H(23) bond length is 1.08 Å. In the fifteenth C site, C(17) is bonded in a distorted trigonal non-coplanar geometry to one N(6), one H(24), and one H(25) atom. The C(17)-N(6) bond length is 1.46 Å. The C(17)-H(24) bond length is 1.10 Å. The C(17)-H(25) bond length is 1.10 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(3), one C(10), and one C(12) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(8) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(2), one C(14), and one C(15) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(17) atom. There are twenty-one 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(1) 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(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(8) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(9) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(9) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(11) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(12) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(13) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(13) atom. In the seventeenth H site, H(21) is bonded in a single-bond geometry to one C(13) atom. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one C(15) atom. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one C(16) atom. In the twentieth H site, H(24) is bonded in a single-bond geometry to one C(17) atom. In the twenty-first H site, H(25) is bonded in a single-bond geometry to one C(17) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(3) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3) and two equivalent Cu(2) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(3) atom. Linkers: 3 Cc1nccn1CCCCn1ccnc1C. Metal clusters: 1 I[Cu]1[Cu][Cu]1(I)I.I[Cu]1[Cu][Cu]1(I)I. The MOF has largest included sphere 1.83 A, density 2.51 g/cm3, surface area 3157.93 m2/g, accessible volume 0.08 cm3/g