MoZnC4N2H8(OF)4 crystallizes in the trigonal P3_121 space group. Mo(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted MoO2F4 octahedra that share corners with two equivalent Zn(1)N2O2F2 octahedra. The corner-sharing octahedral tilt angles are 39°. Both Mo(1)-O(1) bond lengths are 1.72 Å. Both Mo(1)-F(1) bond lengths are 1.94 Å. Both Mo(1)-F(2) bond lengths are 2.08 Å. Zn(1) is bonded to one N(1), one N(2), two equivalent O(2), and two equivalent F(2) atoms to form ZnN2O2F2 octahedra that share corners with two equivalent Mo(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 39°. The Zn(1)-N(1) bond length is 2.21 Å. The Zn(1)-N(2) bond length is 2.20 Å. Both Zn(1)-O(2) bond lengths are 2.06 Å. Both Zn(1)-F(2) bond lengths are 2.10 Å. There are two inequivalent C sites. In the first C site, C(2) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(2) atom. The C(2)-N(1) bond length is 1.34 Å. The C(2)-H(2) bond length is 1.09 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(1) atom. The C(1)-N(2) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent C(2) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent C(1) atoms. 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. The H(3)-O(2) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. The H(4)-O(1) bond length is 1.68 Å. The H(4)-O(2) bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Mo(1) and one H(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. Linkers: 1 c1cnccn1. Metal clusters: 3 [Zn] ,3 [Mo]. The MOF has largest included sphere 1.64 A, density 2.60 g/cm3, surface area 2893.48 m2/g, accessible volume 0.04 cm3/g