CHCuC9N4H9S2IC5N2H5S is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 02329_fluka molecules, two 2-(methylthio)pyrimidine molecules, and one CuC9N4H9S2I cluster. In the CuC9N4H9S2I cluster, Cu(1) is bonded in a distorted bent 120 degrees geometry to one N(1), one N(2), and two equivalent I(1) atoms. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(2) bond length is 2.00 Å. There is one shorter (2.65 Å) and one longer (2.69 Å) Cu(1)-I(1) bond length. There are nine inequivalent C sites. In the first C site, C(2) is bonded in a distorted bent 120 degrees geometry to one N(1), one N(3), and one S(1) atom. The C(2)-N(1) bond length is 1.36 Å. The C(2)-N(3) bond length is 1.34 Å. The C(2)-S(1) bond length is 1.75 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one S(2) atom. The C(3)-N(2) bond length is 1.36 Å. The C(3)-N(4) bond length is 1.34 Å. The C(3)-S(2) bond length is 1.75 Å. In the third C site, C(4) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one H(2) atom. The C(4)-C(8) bond length is 1.39 Å. The C(4)-N(2) bond length is 1.35 Å. The C(4)-H(2) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted water-like geometry to one H(3), one H(4), and one S(2) atom. The C(5)-H(3) bond length is 1.10 Å. The C(5)-H(4) bond length is 1.10 Å. The C(5)-S(2) bond length is 1.82 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(8), one N(4), and one H(5) atom. The C(6)-C(8) bond length is 1.39 Å. The C(6)-N(4) bond length is 1.34 Å. The C(6)-H(5) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one N(1) and one H(6) atom. The C(7)-N(1) bond length is 1.35 Å. The C(7)-H(6) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(7) atom. The C(8)-H(7) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(8) atom. The C(9)-N(3) bond length is 1.34 Å. The C(9)-H(8) bond length is 1.09 Å. In the ninth C site, C(10) is bonded in a distorted water-like geometry to one H(10), one H(9), and one S(1) atom. The C(10)-H(10) bond length is 1.10 Å. The C(10)-H(9) bond length is 1.10 Å. The C(10)-S(1) bond length is 1.81 Å. There are four 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(7) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(4) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(2) and one C(9) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(3) and one C(6) atom. There are nine inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(4) 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(6) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(10) and one C(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(3) and one C(5) atom. I(1) is bonded in a distorted L-shaped geometry to two equivalent Cu(1) atoms. Linkers: 2 c1cnc(SCCSc2ncccn2)nc1 ,2 [c]1cnc(SCCSc2ncccn2)nc1. Metal clusters: 1 [Cu]I.[Cu]I. The MOF has largest included sphere 2.23 A, density 1.96 g/cm3, surface area 4012.50 m2/g, accessible volume 0.13 cm3/g