CuB8H8(CO)4 is Indium-like structured and crystallizes in the tetragonal I4_1md space group. The structure is zero-dimensional and consists of eight CuB8H8(CO)4 clusters. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cu(1)-O(2) bond lengths are 1.97 Å. Both Cu(1)-O(3) bond lengths are 1.98 Å. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Cu(2)-O(1) bond lengths are 1.95 Å. Both Cu(2)-O(4) bond lengths are 1.97 Å. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a distorted bent 120 degrees geometry to one C(2) and one H(1) atom. The B(1)-C(2) bond length is 1.56 Å. The B(1)-H(1) bond length is 1.00 Å. In the second B site, B(3) is bonded in a distorted bent 120 degrees geometry to one C(4) and one H(3) atom. The B(3)-C(4) bond length is 1.57 Å. The B(3)-H(3) bond length is 1.00 Å. In the third B site, B(2) is bonded in a distorted bent 120 degrees geometry to one C(2) and one H(2) atom. The B(2)-C(2) bond length is 1.52 Å. The B(2)-H(2) bond length is 1.00 Å. In the fourth B site, B(4) is bonded in a distorted bent 120 degrees geometry to one C(2) and one H(4) atom. The B(4)-C(2) bond length is 1.56 Å. The B(4)-H(4) bond length is 1.00 Å. In the fifth B site, B(6) is bonded in a distorted bent 120 degrees geometry to one C(2) and one H(6) atom. The B(6)-C(2) bond length is 1.59 Å. The B(6)-H(6) bond length is 1.00 Å. In the sixth B site, B(8) is bonded in a distorted bent 120 degrees geometry to one C(4) and one H(8) atom. The B(8)-C(4) bond length is 1.53 Å. The B(8)-H(8) bond length is 1.00 Å. In the seventh B site, B(5) is bonded in a distorted bent 120 degrees geometry to one C(4) and one H(5) atom. The B(5)-C(4) bond length is 1.64 Å. The B(5)-H(5) bond length is 1.00 Å. In the eighth B site, B(7) is bonded in a distorted bent 120 degrees geometry to one C(4) and one H(7) atom. The B(7)-C(4) bond length is 1.57 Å. The B(7)-H(7) bond length is 1.00 Å. There are four inequivalent C sites. In the first C site, C(2) is bonded in a 5-coordinate geometry to one B(1), one B(2), one B(4), one B(6), and one C(1) atom. The C(2)-C(1) bond length is 1.54 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(3) atom. The C(1)-O(1) bond length is 1.18 Å. The C(1)-O(3) bond length is 1.24 Å. In the third C site, C(4) is bonded in a 5-coordinate geometry to one B(3), one B(5), one B(7), one B(8), and one C(3) atom. The C(4)-C(3) bond length is 1.51 Å. In the fourth C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(4) atom. The C(3)-O(2) bond length is 1.28 Å. The C(3)-O(4) bond length is 1.24 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one B(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one B(4) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one B(6) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one B(7) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one B(8) atom. In the seventh H site, H(3) is bonded in a single-bond geometry to one B(3) atom. In the eighth H site, H(5) is bonded in a single-bond geometry to one B(5) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(2) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(2) and one C(3) atom. Linkers: 6 [O]C(=O)[C@]1([BH])[B@@H]2[B@H]1[B@H]1[B@H]3[B@@H](B2)B[C@@]13C(=O)[O] ,5 [O]C(=O)[C@@]1([BH])[B@H]2[B@@H]1[B@@H]1[B@@H]3[B@H](B2)B[C@]13C(=O)[O] ,1 [O]C(=O)[C@]12B[B@@H]2[B@@H]2[B@H]([B@H]3[B@@H]1B3)[C@@]2([BH])C(=O)[O] ,1 [O]C(=O)[C@@]12B[B@H]2[B@H]2[B@@H]([B@@H]3[B@H]1B3)[C@]2([BH])C(=O)[O] ,1 [O]C(=O)[C@]1([BH])[B@@H]2[B@H]1[B@H]1[B@H]3[B@H]4[B@@H]2[B@H]4[C@@]13C(=O)[O] ,1 [O]C(=O)[C@]12BBB[B@@H]3[B@H]([B@@H]2B1)[C@@]3([BH])C(=O)[O] ,1 [BH][C@@]1(B[B@@H]1[B@@H]1B[C@@]1(BB[BH])C(=O)[O])C(=O)[O]. Metal clusters: 8 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: lvt. The MOF has largest included sphere 9.39 A, density 0.66 g/cm3, surface area 3954.93 m2/g, accessible volume 1.00 cm3/g