Zn5C26H16(N9O4)2 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to one N(5), one N(6), one N(7), and one O(2) atom. The Zn(1)-N(5) bond length is 1.99 Å. The Zn(1)-N(6) bond length is 2.01 Å. The Zn(1)-N(7) bond length is 2.02 Å. The Zn(1)-O(2) bond length is 2.02 Å. In the second Zn site, Zn(2) is bonded in a trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. The Zn(2)-N(1) bond length is 2.02 Å. The Zn(2)-N(2) bond length is 2.00 Å. The Zn(2)-N(3) bond length is 2.00 Å. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to two equivalent N(4) and two equivalent O(1) atoms. Both Zn(3)-N(4) bond lengths are 2.05 Å. Both Zn(3)-O(1) bond lengths are 1.99 Å. There are thirteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(12), one C(5), and one N(4) atom. The C(1)-C(12) bond length is 1.42 Å. The C(1)-C(5) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.40 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(3), and one H(1) atom. The C(2)-C(9) bond length is 1.40 Å. The C(2)-N(3) bond length is 1.33 Å. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(5), and one H(2) atom. The C(3)-C(4) bond length is 1.37 Å. The C(3)-N(5) bond length is 1.35 Å. The C(3)-H(2) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(3) atom. The C(4)-C(11) bond length is 1.35 Å. The C(4)-C(13) bond length is 1.43 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(1), and one N(7) atom. The C(5)-N(1) bond length is 1.36 Å. The C(5)-N(7) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(6), and one H(3) atom. The C(6)-C(9) bond length is 1.37 Å. The C(6)-N(6) bond length is 1.31 Å. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a bent 120 degrees geometry to one C(9), one O(1), and one O(4) atom. The C(7)-C(9) bond length is 1.49 Å. The C(7)-O(1) bond length is 1.27 Å. The C(7)-O(4) bond length is 1.16 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(1), one N(4), and one H(4) atom. The C(8)-N(1) bond length is 1.35 Å. The C(8)-N(4) bond length is 1.37 Å. The C(8)-H(4) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one C(7) atom. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(7) atom. The C(10)-N(7) bond length is 1.33 Å. The C(10)-N(9) bond length is 1.34 Å. The C(10)-H(7) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(8) atom. The C(11)-N(2) bond length is 1.32 Å. The C(11)-H(8) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(1), one N(8), and one N(9) atom. The C(12)-N(8) bond length is 1.37 Å. The C(12)-N(9) bond length is 1.31 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(3) atom. The C(13)-O(2) bond length is 1.27 Å. The C(13)-O(3) bond length is 1.27 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(5), and one C(8) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Zn(2), one C(11), and one N(5) atom. The N(2)-N(5) bond length is 1.37 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Zn(2), one C(2), and one N(6) atom. The N(3)-N(6) bond length is 1.35 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(1), and one C(8) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Zn(1), one C(3), and one N(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Zn(1), one C(6), and one N(3) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Zn(1), one C(10), and one C(5) atom. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one C(12), one H(5), and one H(6) atom. The N(8)-H(5) bond length is 0.86 Å. The N(8)-H(6) bond length is 0.86 Å. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one C(10) and one C(12) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zn(3) and one C(7) atom. In the second O site, O(2) is bonded in a water-like geometry to one Zn(1) and one C(13) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(13) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(7) atom. Linkers: 2 Nc1ncnc2=[N]=CN=c12 ,1 NC1=NC=NC2=N[CH]N([Zn](OC(=O)C3=C[N]N=C3)(OC(=O)C3=C[N]N=C3)N3[CH]N=C4N=CN=C(N)[C]43)[C]12 ,2 [O]C(=O)C1=CN=N[CH]1 ,1 [O]C(=O)C1=C[N]N=C1 ,3 [O]C(=O)[C]1C=NN=C1. Metal clusters: 4 O=[C]O[Zn]1N=N[Zn]N=N1 ,1 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 6.88 A, density 0.93 g/cm3, surface area 3710.72 m2/g, accessible volume 0.74 cm3/g