ZnC6N5H5O crystallizes in the orthorhombic Pbca space group. Zn(1) is bonded to one N(2), one N(5), and two equivalent O(1) atoms to form corner-sharing ZnN2O2 tetrahedra. The Zn(1)-N(2) bond length is 2.02 Å. The Zn(1)-N(5) bond length is 2.08 Å. Both Zn(1)-O(1) bond lengths are 1.95 Å. There are six inequivalent C sites. In the first C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one H(1) atom. The C(3)-C(1) bond length is 1.40 Å. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the second C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(5), and one H(2) atom. The C(4)-N(5) bond length is 1.35 Å. The C(4)-H(2) bond length is 1.09 Å. In the third C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(6) atom. The C(1)-C(2) bond length is 1.46 Å. The C(1)-C(6) bond length is 1.40 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(5), and one H(3) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-N(5) bond length is 1.35 Å. The C(5)-H(3) bond length is 1.09 Å. In the fifth C site, C(2) is bonded in a distorted water-like geometry to one C(1), one N(1), and one N(4) atom. The C(2)-N(1) bond length is 1.34 Å. The C(2)-N(4) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(4) atom. The C(6)-H(4) bond length is 1.09 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one C(2) and one N(2) atom. The N(1)-N(2) bond length is 1.33 Å. In the second N site, N(5) is bonded in a trigonal planar geometry to one Zn(1), one C(4), and one C(5) atom. In the third N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.33 Å. In the fourth 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 1.33 Å. In the fifth N site, N(4) is bonded in a 3-coordinate geometry to one C(2), one N(3), and one H(5) atom. The N(4)-H(5) bond length is 1.78 Å. There are five inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(5) is bonded in a single-bond geometry to one N(4) and one O(1) atom. The H(5)-O(1) bond length is 1.00 Å. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(3) is bonded in a single-bond geometry to one C(5) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn(1) and one H(5) atom. Linkers: 4 c1cc(C2=NN=N[N]2)ccn1 ,4 c1cc(C2=N[N]N=N2)ccn1. Metal clusters: 8 [Zn]. The MOF has largest included sphere 2.49 A, density 1.95 g/cm3, surface area 3744.75 m2/g, accessible volume 0.12 cm3/g