ZnC5N5H7O2 crystallizes in the tetragonal I4_1/a space group. Zn(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(2), one N(3), one O(1), and one O(2) atom. The Zn(1)-N(1) bond length is 2.05 Å. The Zn(1)-N(2) bond length is 2.13 Å. The Zn(1)-N(3) bond length is 2.08 Å. The Zn(1)-O(1) bond length is 2.01 Å. The Zn(1)-O(2) bond length is 2.25 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.26 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one N(3) atom. The C(2)-C(4) bond length is 1.49 Å. The C(2)-N(1) bond length is 1.34 Å. The C(2)-N(3) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(2), and one H(3) atom. The C(3)-N(2) bond length is 1.48 Å. The C(3)-H(2) bond length is 1.10 Å. The C(3)-H(3) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted water-like geometry to one C(2), one H(4), and one H(5) atom. The C(4)-H(4) bond length is 1.10 Å. The C(4)-H(5) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(6), and one H(7) atom. The C(5)-N(2) bond length is 1.49 Å. The C(5)-H(6) bond length is 1.10 Å. The C(5)-H(7) bond length is 1.10 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one N(5) atom. The N(1)-N(5) bond length is 1.36 Å. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one Zn(1), one C(3), one C(5), and one H(1) atom. The N(2)-H(1) bond length is 1.03 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one N(4) atom. The N(3)-N(4) bond length is 1.35 Å. In the fourth N site, N(4) is bonded in a water-like geometry to one N(3) and one N(5) atom. The N(4)-N(5) bond length is 1.31 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one N(1) and one N(4) atom. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Zn(1) and one C(1) atom. Linkers: 8 [O]C(=O)CNCCC1=NN=N[N]1. Metal clusters: 8 [Zn]. The MOF has largest included sphere 3.00 A, density 1.92 g/cm3, surface area 3614.74 m2/g, accessible volume 0.14 cm3/g