Mo2C8N7H10O8CH crystallizes in the monoclinic P2_1/c space group. The structure consists of four 02329_fluka molecules inside a Mo2C8N7H10O8 framework. In the Mo2C8N7H10O8 framework, there are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Mo(1)-N(1) bond length is 2.38 Å. The Mo(1)-O(1) bond length is 1.93 Å. The Mo(1)-O(2) bond length is 1.92 Å. The Mo(1)-O(3) bond length is 1.73 Å. The Mo(1)-O(4) bond length is 1.72 Å. The Mo(1)-O(5) bond length is 2.31 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one N(2), one O(1), one O(2), one O(6), one O(7), and one O(8) atom. The Mo(2)-N(2) bond length is 2.37 Å. The Mo(2)-O(1) bond length is 1.90 Å. The Mo(2)-O(2) bond length is 1.90 Å. The Mo(2)-O(6) bond length is 1.72 Å. The Mo(2)-O(7) bond length is 1.76 Å. The Mo(2)-O(8) bond length is 2.34 Å. There are eight 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(6) atom. The C(1)-N(1) bond length is 1.31 Å. The C(1)-N(3) bond length is 1.37 Å. The C(1)-H(6) bond length is 1.09 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(7) atom. The C(2)-N(2) bond length is 1.32 Å. The C(2)-N(3) bond length is 1.37 Å. The C(2)-H(7) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one C(6), one N(4), and one N(7) atom. The C(3)-C(6) bond length is 1.46 Å. The C(3)-N(4) bond length is 1.35 Å. The C(3)-N(7) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one C(9), and one N(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-C(9) bond length is 1.40 Å. The C(4)-N(3) bond length is 1.43 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(8) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(8) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(7) atom. The C(6)-C(7) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(9) atom. The C(7)-H(9) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(4) and one H(11) atom. The C(9)-H(11) bond length is 1.09 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one Mo(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Mo(2), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(4) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one C(3), one N(5), and one H(5) atom. The N(4)-N(5) bond length is 1.34 Å. The N(4)-H(5) bond length is 1.08 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one N(4) and one N(6) atom. The N(5)-N(6) bond length is 1.30 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one N(5), one N(7), and one H(1) atom. The N(6)-N(7) bond length is 1.35 Å. The N(6)-H(1) bond length is 1.73 Å. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to one C(3) and one N(6) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(6) and one O(5) atom. The H(1)-O(5) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. The H(3)-O(8) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) and one O(8) atom. The H(4)-O(6) bond length is 1.71 Å. The H(4)-O(8) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a linear geometry to one N(4) and one O(7) atom. The H(5)-O(7) bond length is 1.52 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(1) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(7) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(9) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(5) is bonded in a water-like geometry to one Mo(1), one H(1), and one H(2) atom. In the third O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one H(4) atom. In the fourth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(2) and one H(5) atom. In the fifth O site, O(8) is bonded in a water-like geometry to one Mo(2), one H(3), and one H(4) atom. In the sixth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the seventh O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eighth O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. Linkers: 3 c1cc(-c2nnn[nH]2)cc(-n2cnnc2)c1. Metal clusters: 8 [Mo]. The MOF has largest included sphere 1.84 A, density 2.31 g/cm3, surface area 2982.44 m2/g, accessible volume 0.08 cm3/g