Cu3C6N9H7OCl3 crystallizes in the cubic Fd-3c space group. The structure consists of a Cu3C6N9H7OCl3 framework. Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one O(1), and one Cl(1) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(2) bond length is 2.00 Å. The Cu(1)-O(1) bond length is 2.03 Å. The Cu(1)-Cl(1) bond length is 2.29 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(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)-H(1) bond length is 0.96 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(2) atom. The C(2)-N(2) bond length is 1.31 Å. The C(2)-N(3) bond length is 1.36 Å. The C(2)-H(2) bond length is 0.96 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.39 Å. In the second N site, N(3) is bonded in a distorted trigonal planar geometry to one C(1), one C(2), and one N(3) atom. The N(3)-N(3) bond length is 1.37 Å. In the third N site, N(2) is bonded in a 3-coordinate geometry to one Cu(1), one C(2), and one N(1) atom. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(1) 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 O(1) atom. The H(3)-O(1) bond length is 0.85 Å. O(1) is bonded in a single-bond geometry to three equivalent Cu(1) and one H(3) atom. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. Linkers: 96 c1nncn1-n1cnnc1. Metal clusters: 30 O[Cu@]1(Cl)=N[N][Cu](Cl)/N=N\[Cu](Cl)/N=N\1 ,34 O[Cu@@]1(Cl)=N[N][Cu](Cl)/N=N\[Cu](Cl)/N=N\1. The MOF has largest included sphere 7.29 A, density 2.02 g/cm3, surface area 2790.42 m2/g, accessible volume 0.21 cm3/g