ZnCN5H5OF2 crystallizes in the orthorhombic P2_12_12_1 space group. Zn(1) is bonded to one N(1), one N(2), one O(1), one F(1), and two equivalent F(2) atoms to form corner-sharing ZnN2OF3 octahedra. The corner-sharing octahedral tilt angles are 64°. The Zn(1)-N(1) bond length is 2.09 Å. The Zn(1)-N(2) bond length is 2.12 Å. The Zn(1)-O(1) bond length is 2.15 Å. The Zn(1)-F(1) bond length is 2.23 Å. Both Zn(1)-F(2) bond lengths are 2.04 Å. C(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(5) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.36 Å. The C(1)-N(5) bond length is 1.33 Å. There are five inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one N(1), and one N(3) atom. The N(2)-N(1) bond length is 1.35 Å. The N(2)-N(3) bond length is 1.29 Å. In the second N site, N(3) is bonded in a water-like geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.35 Å. In the third N site, N(4) is bonded in a 3-coordinate geometry to one C(1), one N(3), and one H(3) atom. The N(4)-H(3) bond length is 1.06 Å. In the fourth N site, N(5) is bonded in a trigonal planar geometry to one C(1), one H(4), and one H(5) atom. The N(5)-H(4) bond length is 1.03 Å. The N(5)-H(5) bond length is 1.03 Å. In the fifth N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(1), and one N(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one F(1) atom. The H(1)-O(1) bond length is 1.00 Å. The H(1)-F(1) bond length is 1.60 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one F(1) atom. The H(2)-O(1) bond length is 1.00 Å. The H(2)-F(1) bond length is 1.61 Å. In the third H site, H(3) is bonded in a distorted linear geometry to one N(4) and one F(1) atom. The H(3)-F(1) bond length is 1.55 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(5) atom. O(1) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted tetrahedral geometry to one Zn(1), one H(1), one H(2), and one H(3) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Zn(1) atoms. Linkers: 4 Nc1nnn[nH]1. Metal clusters: 4 [Zn]. The MOF has largest included sphere 2.12 A, density 2.36 g/cm3, surface area 2998.82 m2/g, accessible volume 0.06 cm3/g