MnC9N7H7O crystallizes in the tetragonal I4_1/a space group. Mn(1) is bonded in an octahedral geometry to one N(2), one N(3), one N(4), one N(6), one N(7), and one O(1) atom. The Mn(1)-N(2) bond length is 2.23 Å. The Mn(1)-N(3) bond length is 2.17 Å. The Mn(1)-N(4) bond length is 2.18 Å. The Mn(1)-N(6) bond length is 2.28 Å. The Mn(1)-N(7) bond length is 2.31 Å. The Mn(1)-O(1) bond length is 2.27 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 1.35 Å. The C(1)-N(3) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(2) atom. The C(2)-C(3) bond length is 1.45 Å. The C(2)-N(1) bond length is 1.36 Å. The C(2)-N(2) bond length is 1.35 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one C(2), one N(4), and one N(6) atom. The C(3)-N(4) bond length is 1.34 Å. The C(3)-N(6) bond length is 1.36 Å. In the fourth C site, C(4) is bonded in a 2-coordinate geometry to one N(4) and one N(5) atom. The C(4)-N(4) bond length is 1.37 Å. The C(4)-N(5) bond length is 1.34 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one N(7) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-N(7) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(2) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(2) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one H(3) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(3) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one H(4) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-H(4) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(8), one N(7), and one H(5) atom. The C(9)-N(7) bond length is 1.34 Å. The C(9)-H(5) bond length is 1.09 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(2), and one H(6) atom. The N(1)-H(6) bond length is 1.64 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Mn(1), one C(2), and one N(3) atom. The N(2)-N(3) bond length is 1.37 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(1), and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(3), and one C(4) atom. In the fifth N site, N(5) is bonded in a water-like geometry to one C(4) and one N(6) atom. The N(5)-N(6) bond length is 1.36 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Mn(1), one C(3), and one N(5) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Mn(1), one C(5), and one C(9) atom. There are seven 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(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) 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 C(9) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one N(1) and one O(1) atom. The H(6)-O(1) bond length is 1.03 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(1) atom. The H(7)-O(1) bond length is 0.98 Å. O(1) is bonded in a distorted water-like geometry to one Mn(1), one H(6), and one H(7) atom. Linkers: 1 c1ccc(nc1)C1=[N]=C(N=N1)C1=N[N]C=N1 ,5 c1ccc(nc1)C1=[N]=C(N=N1)C1=NN=C[N]1 ,1 c1ccc(nc1)C1=[N]=C(N=N1)C1=[N]=CN=N1 ,1 C1=NN=C(C2=N[N]C(c3ccccn3)=N2)[N]1. Metal clusters: 4 N1=N[Mn]=NN=[Mn]1.O.O. The MOF has largest included sphere 7.86 A, density 1.01 g/cm3, surface area 4192.29 m2/g, accessible volume 0.66 cm3/g