Ir12Zn4C42N48O13 crystallizes in the cubic Fm-3m space group. Ir(1) is bonded in a 5-coordinate geometry to one Ir(1), two equivalent N(1), and two equivalent N(2) atoms. The Ir(1)-Ir(1) bond length is 1.97 Å. Both Ir(1)-N(1) bond lengths are 1.74 Å. Both Ir(1)-N(2) bond lengths are 2.28 Å. Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(2) bond length is 1.94 Å. All Zn(1)-O(1) bond lengths are 1.73 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(1), one C(3), and one N(1) atom. The C(1)-C(1) bond length is 0.91 Å. The C(1)-C(3) bond length is 1.36 Å. The C(1)-N(1) bond length is 1.41 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3) and two equivalent O(1) atoms. The C(2)-C(3) bond length is 1.50 Å. Both C(2)-O(1) bond lengths are 1.58 Å. In the third C site, C(3) is bonded in a 5-coordinate geometry to one C(2) and four equivalent C(1) atoms. In the fourth C site, C(4) is bonded in a 5-coordinate geometry to one C(4) and four equivalent N(1) atoms. The C(4)-C(4) bond length is 1.47 Å. All C(4)-N(1) bond lengths are 1.37 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ir(1), one C(1), one C(4), and one N(1) atom. The N(1)-N(1) bond length is 0.90 Å. In the second N site, N(2) is bonded in a single-bond geometry to one Ir(1) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(2) atom. Linkers: 4 [C][C]1[C][N]N1[C]N1[C][C][N]1.[C][C]1[C][N]N1[C]N1[C][C][N]1.[O][C][O].[O][C][O] ,2 [C][C]1[C]N([C]N2[C][C][N]2)[N]1.[C][C]1[C]N([C]N2[C][C][N]2)[N]1.[O][C][O].[O][C][O] ,5 [C]1[N]N2[C]N3[N][C]C3=[C][C]12.[C]1[N]N2[C]N3[N][C]C3=[C][C]12.[O][C][O].[O][C][O] ,3 [C]1[C][N][N]1.[C]1[C][N][N]1.[C][C]1[C]N([C])[N]1.[C][C]1[C]N([C])[N]1.[O][C][O].[O][C][O] ,1 [C]1[C][N][N]1.[C]N1[C][C][N]1.[C][C]1[C]N([C])[N]1.[C][C]1[C][N][N]1.[O][C][O].[O][C][O] ,1 [C]1[N]N2[C]N3[N][C]C3=[C][C]12.[C]1[N]N2[C][N@]3[C][C]([C][C]12)[N]3.[O][C][O].[O][C][O] ,1 [C]1[N]N2[C][N@@]3[C][C]([C][C]12)[N]3.[C]N1[N][C][C]1[C][C]1[C][N][N]1.[O][C][O].[O][C][O] ,1 [C]1[N]N2[C]N3[N][C][C]3[C][C]12.[C][C]1[C][N]N1[C]N1[C][C][N]1.[O][C][O].[O][C][O] ,1 [C]1[N]N2[C]N3[N][C]C3=[C][C]12.[C][C]1[C][N]N1[C]N1[C][C][N]1.[O][C][O].[O][C][O] ,1 [C]1[N]N2[C]N3[N][C][C]3[C][C]12.[C]1[N]N2[C]N3[N][C][C]3[C][C]12.[O][C][O].[O][C][O] ,2 [C]1[N]N2[C]N3[N][C]C3=[C][C]12.[C]1[N]N2[C][N@@]3[C][C]([C][C]12)[N]3.[O][C][O].[O][C][O] ,1 [C]N1[N][C][C]1[C][C]1[C][N][N]1.[C]N1[N][C][C]1[C][C]1[C][N][N]1.[O][C][O].[O][C][O] ,1 [C]1[N]N2[C][N@]3[C][C]([C][C]12)[N]3.[C]N1[C][C]([C][C]2[C][N][N]2)[N]1.[O][C][O].[O][C][O]. Metal clusters: 8 [C]1O[Zn]2O[C]O[Zn@]34O[C]O[Zn](O1)O[C]O[Zn@](O[C]O2)(O[C]O3)O4 ,48 [N]1[N][Ir]2[N][N][Ir]12. The MOF has largest included sphere 18.46 A, density 1.33 g/cm3, surface area 1785.44 m2/g, accessible volume 0.55 cm3/g