Zn5C20H6(NO2)8 crystallizes in the orthorhombic Pbca space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted pentagonal pyramidal geometry to one N(2), one N(3), one O(1), one O(4), one O(5), and one O(8) atom. The Zn(1)-N(2) bond length is 2.28 Å. The Zn(1)-N(3) bond length is 2.27 Å. The Zn(1)-O(1) bond length is 2.31 Å. The Zn(1)-O(4) bond length is 2.47 Å. The Zn(1)-O(5) bond length is 2.35 Å. The Zn(1)-O(8) bond length is 2.26 Å. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one N(1), one N(4), one O(4), one O(5), and one O(8) atom. The Zn(2)-N(1) bond length is 2.24 Å. The Zn(2)-N(4) bond length is 2.25 Å. The Zn(2)-O(4) bond length is 2.29 Å. The Zn(2)-O(5) bond length is 2.25 Å. The Zn(2)-O(8) bond length is 2.44 Å. In the third Zn site, Zn(3) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. Both Zn(3)-O(6) bond lengths are 2.21 Å. Both Zn(3)-O(7) bond lengths are 2.25 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one N(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(4) bond length is 1.47 Å. The C(1)-N(1) bond length is 1.36 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one N(2) atom. The C(2)-N(2) bond length is 1.36 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-N(2) bond length is 1.32 Å. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(4)-O(1) bond length is 1.24 Å. The C(4)-O(2) bond length is 1.27 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(5)-O(3) bond length is 1.27 Å. The C(5)-O(4) bond length is 1.24 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one N(3) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(3) bond length is 1.37 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one N(4) atom. The C(7)-C(10) bond length is 1.51 Å. The C(7)-N(4) bond length is 1.37 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(2) atom. The C(8)-N(3) bond length is 1.32 Å. The C(8)-N(4) bond length is 1.34 Å. The C(8)-H(2) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(9)-O(5) bond length is 1.26 Å. The C(9)-O(6) bond length is 1.24 Å. In the tenth C site, C(10) is bonded in a bent 120 degrees geometry to one C(7), one O(7), and one O(8) atom. The C(10)-O(7) bond length is 1.24 Å. The C(10)-O(8) bond length is 1.26 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(1), and one C(3) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one C(3) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(6), and one C(8) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(2), one C(7), and one C(8) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(8) 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 0.82 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Zn(1) and one C(4) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(4) and one H(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one C(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one C(9) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(9) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(10) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one C(10) atom. Linkers: 8 [O]C(=O)C1=NC=N[C]1C(=O)O ,1 [O]C(=O)C1=C(C([O])=O)N=C[N]1 ,7 [O]C(=O)[C]1N=CN=C1C([O])=O. Metal clusters: 20 [Zn]. The MOF has largest included sphere 4.79 A, density 1.75 g/cm3, surface area 3202.65 m2/g, accessible volume 0.27 cm3/g