ZnC6H8(N3O2)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ZnC6H8(N3O2)3 cluster. Zn(1) is bonded in an octahedral geometry to one N(1), one N(9), one O(2), one O(3), one O(4), and one O(5) atom. The Zn(1)-N(1) bond length is 2.23 Å. The Zn(1)-N(9) bond length is 2.27 Å. The Zn(1)-O(2) bond length is 2.05 Å. The Zn(1)-O(3) bond length is 2.08 Å. The Zn(1)-O(4) bond length is 2.08 Å. The Zn(1)-O(5) bond length is 2.11 Å. There are six inequivalent C sites. In the first C site, 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 1.39 Å. The C(1)-N(4) bond length is 1.37 Å. The C(1)-N(5) bond length is 1.33 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(5), one N(6), and one N(9) atom. The C(2)-N(5) bond length is 1.33 Å. The C(2)-N(6) bond length is 1.36 Å. The C(2)-N(9) bond length is 1.39 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(7), one H(5), and one H(6) atom. The C(3)-N(7) bond length is 1.45 Å. The C(3)-H(5) bond length is 1.10 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to 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 1.28 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(5)-O(5) bond length is 1.29 Å. The C(5)-O(6) bond length is 1.24 Å. In the sixth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(7), and one H(8) atom. The C(6)-N(3) bond length is 1.44 Å. The C(6)-H(7) bond length is 1.10 Å. The C(6)-H(8) bond length is 1.09 Å. There are nine 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 1.30 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.35 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(6), one N(2), and one N(4) atom. The N(3)-N(4) bond length is 1.31 Å. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one C(1) and one N(3) atom. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the sixth N site, N(6) is bonded in a distorted water-like geometry to one C(2) and one N(7) atom. The N(6)-N(7) bond length is 1.32 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one C(3), one N(6), and one N(8) atom. The N(7)-N(8) bond length is 1.35 Å. In the eighth N site, N(8) is bonded in a water-like geometry to one N(7) and one N(9) atom. The N(8)-N(9) bond length is 1.30 Å. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one N(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. The H(1)-O(3) bond length is 1.01 Å. The H(1)-O(5) bond length is 1.59 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 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. The H(3)-O(4) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. The H(4)-O(4) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 trigonal non-coplanar geometry to one Zn(1), one H(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(5), and one H(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(5) atom. Linkers: 2 [O]C(=O)CN1[N]N=[C](=N1)[N][C]1=N[N]N(N=1)CC(=O)[O]. Metal clusters: 2 O.O.O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 2.93 A, density 1.86 g/cm3, surface area 3732.15 m2/g, accessible volume 0.12 cm3/g