Mo5MnC10H8(N5O6)2(CH)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight 02329_fluka molecules inside a Mo5MnC10H8(N5O6)2 framework. In the Mo5MnC10H8(N5O6)2 framework, there are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one N(3), one O(1), one O(2), one O(4), and two equivalent O(3) atoms. The Mo(1)-N(3) bond length is 2.35 Å. The Mo(1)-O(1) bond length is 1.76 Å. The Mo(1)-O(2) bond length is 1.74 Å. The Mo(1)-O(4) bond length is 2.03 Å. There is one shorter (1.75 Å) and one longer (2.23 Å) Mo(1)-O(3) bond length. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(4), one O(4), one O(6), and two equivalent O(5) atoms. The Mo(2)-N(4) bond length is 2.40 Å. The Mo(2)-O(4) bond length is 1.83 Å. The Mo(2)-O(6) bond length is 2.01 Å. There is one shorter (1.78 Å) and one longer (2.13 Å) Mo(2)-O(5) bond length. In the third Mo site, Mo(3) is bonded in a water-like geometry to two equivalent O(6) atoms. Both Mo(3)-O(6) bond lengths are 1.81 Å. Mn(1) is bonded in an octahedral geometry to two equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms. Both Mn(1)-N(2) bond lengths are 2.31 Å. Both Mn(1)-O(1) bond lengths are 2.14 Å. Both Mn(1)-O(2) bond lengths are 2.18 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-C(5) bond length is 1.37 Å. The C(1)-C(6) bond length is 1.47 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(2) atom. The C(2)-N(1) bond length is 1.38 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(3)-N(1) bond length is 1.35 Å. The C(3)-H(3) bond length is 0.93 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(1) and one H(5) atom. The C(5)-H(5) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one N(5) atom. The C(6)-N(2) bond length is 1.33 Å. The C(6)-N(5) bond length is 1.35 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(2) and one C(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Mn(1), one C(6), and one N(3) atom. The N(2)-N(3) bond length is 1.35 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Mo(1), one N(2), and one N(4) atom. The N(3)-N(4) bond length is 1.31 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Mo(2), one N(3), and one N(5) atom. The N(4)-N(5) bond length is 1.32 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one C(6), one N(4), and one H(1) atom. The N(5)-H(1) bond length is 0.86 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(5) 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(5) is bonded in a single-bond geometry to one C(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Mo(2) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. Linkers: 8 c1cncc(-c2nnn[nH]2)c1. Metal clusters: 4 [Mn] ,20 [Mo]. The MOF has largest included sphere 4.46 A, density 2.58 g/cm3, surface area 2246.24 m2/g, accessible volume 0.10 cm3/g