ZnC3H6(NO)4 crystallizes in the monoclinic Cc space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an octahedral geometry to one N(1), one N(3), one O(1), one O(3), one O(4), and one O(7) atom. The Zn(1)-N(1) bond length is 2.15 Å. The Zn(1)-N(3) bond length is 2.13 Å. The Zn(1)-O(1) bond length is 2.09 Å. The Zn(1)-O(3) bond length is 2.15 Å. The Zn(1)-O(4) bond length is 2.15 Å. The Zn(1)-O(7) bond length is 2.13 Å. In the second Zn site, Zn(2) is bonded in a trigonal bipyramidal geometry to one N(6), one N(8), one O(2), one O(6), and one O(8) atom. The Zn(2)-N(6) bond length is 2.05 Å. The Zn(2)-N(8) bond length is 2.05 Å. The Zn(2)-O(2) bond length is 2.02 Å. The Zn(2)-O(6) bond length is 2.07 Å. The Zn(2)-O(8) bond length is 2.18 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.34 Å. In the second C site, C(2) is bonded in a water-like geometry to one C(1), one H(7), and one H(8) atom. The C(2)-H(7) bond length is 1.10 Å. The C(2)-H(8) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. The C(3)-O(2) bond length is 1.29 Å. The C(3)-O(4) bond length is 1.26 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one N(5), and one N(8) atom. The C(4)-C(5) bond length is 1.48 Å. The C(4)-N(5) bond length is 1.34 Å. The C(4)-N(8) bond length is 1.35 Å. In the fifth C site, C(5) is bonded in a distorted water-like geometry to one C(4), one H(10), and one H(9) atom. The C(5)-H(10) bond length is 1.09 Å. The C(5)-H(9) bond length is 1.10 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(7) atom. The C(6)-O(5) bond length is 1.27 Å. The C(6)-O(7) bond length is 1.28 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.34 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one H(6) atom. The N(2)-N(3) bond length is 1.32 Å. The N(2)-H(6) bond length is 1.81 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one N(2), and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one C(1), one N(3), and one H(4) atom. The N(4)-H(4) bond length is 1.71 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one C(4), one N(6), and one H(11) atom. The N(5)-N(6) bond length is 1.34 Å. The N(5)-H(11) bond length is 1.74 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Zn(2), one N(5), and one N(7) atom. The N(6)-N(7) bond length is 1.31 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.34 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(4), and one N(7) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. The H(2)-O(3) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. The H(3)-O(6) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one N(4) and one O(6) atom. The H(4)-O(6) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(8) atom. The H(5)-O(8) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) and one O(8) atom. The H(6)-O(8) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(5) and one O(1) atom. The H(11)-O(1) bond length is 1.00 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(1) atom. The H(12)-O(1) bond length is 0.99 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one H(11), and one H(12) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Zn(2) and one C(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(2), one H(3), and one H(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Zn(1) and one C(6) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Zn(2), one H(5), and one H(6) atom. Linkers: 4 [O]C(=O)CC1=NN=N[N]1. Metal clusters: 2 O.O.O.O.O=[C]O[Zn]O[C]O[Zn]. The MOF has largest included sphere 1.72 A, density 2.26 g/cm3, surface area 3247.59 m2/g, accessible volume 0.07 cm3/g