Cu31C48H72S24(N24Br)4 crystallizes in the cubic F-43c space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Cu(3), one N(2), one N(5), one S(2), and one Br(1) atom to form distorted edge-sharing CuCuSBrN2 tetrahedra. The Cu(1)-Cu(3) bond length is 2.78 Å. The Cu(1)-N(2) bond length is 2.00 Å. The Cu(1)-N(5) bond length is 1.99 Å. The Cu(1)-S(2) bond length is 2.31 Å. The Cu(1)-Br(1) bond length is 2.69 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one N(1), one N(6), and two equivalent S(1) atoms. The Cu(2)-N(1) bond length is 1.99 Å. The Cu(2)-N(6) bond length is 1.96 Å. There is one shorter (2.25 Å) and one longer (2.99 Å) Cu(2)-S(1) bond length. In the third Cu site, Cu(3) is bonded in a 7-coordinate geometry to three equivalent Cu(1), three equivalent S(2), and one Br(1) atom. All Cu(3)-S(2) bond lengths are 2.28 Å. The Cu(3)-Br(1) bond length is 3.11 Å. In the fourth Cu site, Cu(4) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. All Cu(4)-S(1) bond lengths are 2.40 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one S(1) atom. The C(1)-N(1) bond length is 1.30 Å. The C(1)-N(3) bond length is 1.36 Å. The C(1)-S(1) bond length is 1.74 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one N(5), one N(7), and one S(2) atom. The C(3)-N(5) bond length is 1.31 Å. The C(3)-N(7) bond length is 1.34 Å. The C(3)-S(2) bond length is 1.74 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one N(6), one N(7), and one N(8) atom. The C(4)-N(6) bond length is 1.33 Å. The C(4)-N(7) bond length is 1.34 Å. The C(4)-N(8) bond length is 1.34 Å. In the fourth C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one N(4) atom. The C(2)-N(2) bond length is 1.30 Å. The C(2)-N(3) bond length is 1.35 Å. The C(2)-N(4) bond length is 1.37 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.40 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cu(1), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one H(1) atom. The N(3)-H(1) bond length is 0.86 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(2), one H(2), and one H(3) atom. The N(4)-H(2) bond length is 0.86 Å. The N(4)-H(3) bond length is 0.86 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one N(6) atom. The N(5)-N(6) bond length is 1.41 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cu(2), one C(4), and one N(5) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(3), one C(4), and one H(4) atom. The N(7)-H(4) bond length is 0.86 Å. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(4), one H(5), and one H(6) atom. The N(8)-H(5) bond length is 0.86 Å. The N(8)-H(6) bond length is 0.86 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(8) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one C(3) atom. In the second S site, S(1) is bonded in a 4-coordinate geometry to one Cu(4), two equivalent Cu(2), and one C(1) atom. Br(1) is bonded in a 3-coordinate geometry to one Cu(3) and three equivalent Cu(1) atoms. Linkers: 192 NC1=N[N]C(=S)N1. Metal clusters: 248 [Cu]. The MOF has largest included sphere 9.58 A, density 1.39 g/cm3, surface area 3039.81 m2/g, accessible volume 0.44 cm3/g