Zn4C16N13H11O6 crystallizes in the monoclinic C2/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal non-coplanar geometry to one N(1), one N(2), and one N(6) atom. The Zn(1)-N(1) bond length is 1.99 Å. The Zn(1)-N(2) bond length is 2.02 Å. The Zn(1)-N(6) bond length is 2.01 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(3), one N(4), one N(5), and one O(1) atom. The Zn(2)-N(3) bond length is 2.00 Å. The Zn(2)-N(4) bond length is 1.98 Å. The Zn(2)-N(5) bond length is 1.99 Å. The Zn(2)-O(1) bond length is 1.94 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(3) bond length is 1.34 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(2) atom. The C(2)-N(2) bond length is 1.32 Å. The C(2)-N(3) bond length is 1.35 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(3) atom. The C(3)-N(4) bond length is 1.32 Å. The C(3)-N(6) bond length is 1.35 Å. The C(3)-H(3) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(4) atom. The C(4)-N(5) bond length is 1.34 Å. The C(4)-N(6) bond length is 1.32 Å. The C(4)-H(4) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(8) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-C(7) bond length is 1.50 Å. The C(5)-C(8) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(9), and one H(5) atom. The C(6)-C(9) bond length is 1.39 Å. The C(6)-H(5) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.27 Å. The C(7)-O(2) bond length is 1.22 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to two equivalent C(5) and one H(6) atom. The C(8)-H(6) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to two equivalent C(6) and one N(7) atom. The C(9)-N(7) bond length is 1.47 Å. There are seven inequivalent N sites. In the first N site, N(5) is bonded in a distorted bent 120 degrees geometry to one Zn(2), one C(4), and one N(4) atom. The N(5)-N(4) bond length is 1.37 Å. In the second N site, N(6) is bonded in a trigonal planar geometry to one Zn(1), one C(3), and one C(4) atom. In the third N site, N(7) is bonded in a trigonal planar geometry to one C(9) and two equivalent O(3) atoms. Both N(7)-O(3) bond lengths are 1.22 Å. In the fourth 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 1.38 Å. In the fifth N site, N(2) is bonded in a 3-coordinate geometry to one Zn(1), one C(2), and one N(1) atom. In the sixth N site, N(3) is bonded in a trigonal planar geometry to one Zn(2), one C(1), and one C(2) atom. In the seventh N site, N(4) is bonded in a 3-coordinate geometry to one Zn(2), one C(3), and one N(5) atom. There are six 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 C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(7) atom. In the third O site, O(3) is bonded in a single-bond geometry to one N(7) atom. Linkers: 2 [O]C(=O)c1cc(C([O])=O)cc([N+](=O)[O-])c1 ,5 C1=NN=C[N]1 ,2 C1=NC=N[N]1 ,1 [N]1=CN=NC=1. Metal clusters: 2 N1=N[Zn]=NN=[Zn]1 ,2 O=[C]O[Zn]1=NN=[Zn](O[C]=O)N=N1. The MOF has largest included sphere 6.58 A, density 1.07 g/cm3, surface area 3748.59 m2/g, accessible volume 0.54 cm3/g