Mn3C16H8(N5O4)2 crystallizes in the orthorhombic Pbca space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square pyramidal geometry to one N(3), one N(4), one O(1), one O(2), and one O(4) atom. The Mn(1)-N(3) bond length is 2.27 Å. The Mn(1)-N(4) bond length is 2.20 Å. The Mn(1)-O(1) bond length is 2.25 Å. The Mn(1)-O(2) bond length is 2.14 Å. The Mn(1)-O(4) bond length is 2.16 Å. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to two equivalent N(5) and two equivalent O(3) atoms. Both Mn(2)-N(5) bond lengths are 2.15 Å. Both Mn(2)-O(3) bond lengths are 2.23 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(1) atom. The C(1)-N(2) bond length is 1.31 Å. The C(1)-N(3) bond length is 1.35 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(1), one N(3), and one H(2) atom. The C(2)-N(1) bond length is 1.32 Å. The C(2)-N(3) bond length is 1.32 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one C(4); one N(1); and two equivalent H(3,4) atoms. The C(3)-C(4) bond length is 1.50 Å. The C(3)-N(1) bond length is 1.46 Å. Both C(3)-H(3,4) bond lengths are 0.97 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(4), and one N(5) atom. The C(4)-N(4) bond length is 1.34 Å. The C(4)-N(5) bond length is 1.33 Å. In the fifth C site, C(5) is bonded in a 3-coordinate geometry to one C(6), one C(7), and one N(4) atom. The C(5)-C(6) bond length is 1.49 Å. The C(5)-C(7) bond length is 1.39 Å. The C(5)-N(4) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.27 Å. The C(6)-O(2) bond length is 1.25 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(5), one C(8), and one N(5) atom. The C(7)-C(8) bond length is 1.49 Å. The C(7)-N(5) bond length is 1.37 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.27 Å. The C(8)-O(4) bond length is 1.25 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one C(2), one C(3), and one N(2) atom. The N(1)-N(2) bond length is 1.35 Å. In the second N site, N(2) is bonded in a water-like geometry to one C(1) and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(1), and one C(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(4), and one C(5) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one C(4), and one C(7) 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 C(2) atom. In the third H site, H(3,4) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(6) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one C(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(8) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one C(8) atom. Linkers: 5 [O]C(=O)[C]1N=C(Cn2cncn2)N=C1C([O])=O ,2 [O]C(=O)[C]1N=C(CN2[CH]N=C[N]2)N=C1C([O])=O ,1 [O]C(=O)C1=C(C([O])=O)N=C(Cn2cncn2)[N]1. Metal clusters: 12 [Mn]. The MOF has largest included sphere 4.15 A, density 1.46 g/cm3, surface area 3495.54 m2/g, accessible volume 0.31 cm3/g