MoNi2H40(C3N2)8(CH)12 crystallizes in the tetragonal I4_1/amd space group. The structure consists of sixteen 02329_fluka molecules and sixteen ethane molecules inside a MoNi2H40(C3N2)8 framework. In the MoNi2H40(C3N2)8 framework, Mo(1) is bonded in a 8-coordinate geometry to four equivalent C(3) and four equivalent C(4) atoms. All Mo(1)-C(3) bond lengths are 2.08 Å. All Mo(1)-C(4) bond lengths are 2.11 Å. Ni(1) is bonded in an octahedral geometry to two equivalent N(3) and four equivalent N(1) atoms. Both Ni(1)-N(3) bond lengths are 2.01 Å. All Ni(1)-N(1) bond lengths are 2.07 Å. There are four inequivalent C sites. In the first C site, C(3) is bonded in a distorted linear geometry to one Mo(1) and one N(2) atom. The C(3)-N(2) bond length is 1.20 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one Mo(1) and one N(3) atom. The C(4)-N(3) bond length is 1.16 Å. In the third C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(1), and one H(2) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 0.97 Å. The C(1)-H(2) bond length is 0.97 Å. In the fourth C site, C(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(4,5) atoms. The C(2)-N(1) bond length is 1.51 Å. Both C(2)-H(4,5) bond lengths are 0.97 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ni(1), one C(1), one C(2), and one H(6) atom. The N(1)-H(6) bond length is 0.91 Å. In the second N site, N(3) is bonded in a linear geometry to one Ni(1) and one C(4) atom. In the third N site, N(2) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(4,5) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one N(1) atom. Linkers: 5 [C]C[C@H]1CNCCNC[C@H](C[C])CNCCNC1. Metal clusters: 4 [Ni] ,2 [Mo]. The MOF has largest included sphere 5.97 A, density 1.03 g/cm3, surface area 4658.80 m2/g, accessible volume 0.45 cm3/g