Cu6C45N12H21O13 crystallizes in the cubic Fm-3m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.96 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. All Cu(2)-O(2) bond lengths are 1.88 Å. In the third Cu site, Cu(3) is bonded in a bent 150 degrees geometry to two equivalent N(2) and one O(3) atom. Both Cu(3)-N(2) bond lengths are 2.08 Å. The Cu(3)-O(3) bond length is 1.92 Å. There are ten inequivalent C sites. In the first C site, C(6) is bonded in a distorted single-bond geometry to two equivalent C(1) and one H(4) atom. Both C(6)-C(1) bond lengths are 1.37 Å. The C(6)-H(4) bond length is 0.95 Å. In the second C site, C(7) is bonded in a single-bond geometry to one C(10) and two equivalent C(4) atoms. The C(7)-C(10) bond length is 1.34 Å. Both C(7)-C(4) bond lengths are 1.37 Å. In the third C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(9) and two equivalent C(5) atoms. The C(8)-C(9) bond length is 1.49 Å. Both C(8)-C(5) bond lengths are 1.40 Å. In the fourth C site, C(9) is bonded in a trigonal planar geometry to one C(8) and two equivalent C(2) atoms. Both C(9)-C(2) bond lengths are 1.39 Å. In the fifth C site, C(10) is bonded in a distorted single-bond geometry to one C(7) and two equivalent N(1) atoms. Both C(10)-N(1) bond lengths are 1.38 Å. In the sixth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(6) atom. The C(1)-C(2) bond length is 1.37 Å. The C(1)-C(3) bond length is 1.36 Å. In the seventh C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(9), and one H(1) atom. The C(2)-H(1) bond length is 0.95 Å. In the eighth C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(3)-O(1) bond length is 1.31 Å. The C(3)-O(2) bond length is 1.43 Å. In the ninth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(2) atom. The C(4)-C(5) bond length is 1.37 Å. The C(4)-H(2) bond length is 0.95 Å. In the tenth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(3) atom. The C(5)-H(3) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to one C(10) and one N(2) atom. The N(1)-N(2) bond length is 1.23 Å. In the second N site, N(2) is bonded in a single-bond geometry to one Cu(3) and one N(1) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(3) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Cu(3) atoms. Linkers: 15 [O]C(=O)c1cc(C([O])=O)cc(-c2ccc(C3=N[N]N=N3)cc2)c1 ,9 [O]C(=O)c1cc(C([O])=O)cc(-c2ccc(C3=NN=N[N]3)cc2)c1. Metal clusters: 12 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4 ,8 N1=N[Cu]2N=N[Cu](N=N[Cu]1)O2. The MOF has largest included sphere 21.62 A, density 0.44 g/cm3, surface area 3726.67 m2/g, accessible volume 2.00 cm3/g