Zn3C10H6(N10O)2 crystallizes in the monoclinic C2/c 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(2), one N(6), one N(7), one N(8), and one O(1) atom. The Zn(1)-N(1) bond length is 2.10 Å. The Zn(1)-N(2) bond length is 2.14 Å. The Zn(1)-N(6) bond length is 2.18 Å. The Zn(1)-N(7) bond length is 2.27 Å. The Zn(1)-N(8) bond length is 2.14 Å. The Zn(1)-O(1) bond length is 2.25 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to two equivalent N(10) and two equivalent N(3) atoms. Both Zn(2)-N(10) bond lengths are 1.99 Å. Both Zn(2)-N(3) bond lengths are 1.98 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(2) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3), one C(4), and one N(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(4) bond length is 1.43 Å. The C(2)-N(1) bond length is 1.38 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one N(2) atom. The C(3)-C(5) bond length is 1.44 Å. The C(3)-N(2) bond length is 1.38 Å. In the fourth C site, C(4) is bonded in a distorted water-like geometry to one C(2), one N(10), and one N(7) atom. The C(4)-N(10) bond length is 1.35 Å. The C(4)-N(7) bond length is 1.34 Å. In the fifth C site, C(5) is bonded in a distorted water-like geometry to one C(3), one N(3), and one N(6) atom. The C(5)-N(3) bond length is 1.34 Å. The C(5)-N(6) bond length is 1.35 Å. There are ten 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 C(2) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(1), and one C(3) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(5), and one N(4) atom. The N(3)-N(4) bond length is 1.37 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one N(3), one N(5), and one H(3) atom. The N(4)-N(5) bond length is 1.31 Å. The N(4)-H(3) bond length is 1.83 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one N(4) and one N(6) atom. The N(5)-N(6) bond length is 1.34 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Zn(1), one C(5), and one N(5) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Zn(1), one C(4), 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(1), one N(7), and one N(9) atom. The N(8)-N(9) bond length is 1.31 Å. In the ninth N site, N(9) is bonded in a water-like geometry to one N(10) and one N(8) atom. The N(9)-N(10) bond length is 1.35 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(4), and one N(9) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one N(4) and one O(1) atom. The H(3)-O(1) bond length is 1.00 Å. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(2), and one H(3) atom. Linkers: 2 C1=NC2=C([N]1)c1nnnn1[Zn]1(n3nnnc3C3=C(N=C[N]3)c3nnnn31)n1nnnc12. Metal clusters: 2 N1=N[Zn]=NN=[Zn]1.O.O. The MOF has largest included sphere 3.00 A, density 1.87 g/cm3, surface area 3448.22 m2/g, accessible volume 0.16 cm3/g