Mo3ZnC9H5O8 crystallizes in the cubic Ia-3d space group. The structure consists of a Mo3ZnC9H5O8 framework. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Mo(1)-O(1) bond length is 1.96 Å. The Mo(1)-O(2) bond length is 2.07 Å. The Mo(1)-O(3) bond length is 1.98 Å. The Mo(1)-O(4) bond length is 1.92 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(5) atoms. The Mo(2)-O(3) bond length is 1.83 Å. The Mo(2)-O(6) bond length is 1.93 Å. There is one shorter (2.00 Å) and one longer (2.05 Å) Mo(2)-O(5) bond length. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. The Mo(3)-O(1) bond length is 1.93 Å. The Mo(3)-O(2) bond length is 2.05 Å. The Mo(3)-O(4) bond length is 1.94 Å. The Mo(3)-O(6) bond length is 1.87 Å. Zn(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. The Zn(1)-O(1) bond length is 1.96 Å. The Zn(1)-O(4) bond length is 1.99 Å. The Zn(1)-O(5) bond length is 1.93 Å. The Zn(1)-O(7) bond length is 1.95 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(7), and one O(8) atom. The C(1)-C(2) bond length is 1.47 Å. The C(1)-O(7) bond length is 1.23 Å. The C(1)-O(8) bond length is 1.26 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.33 Å. The C(2)-C(4) bond length is 1.28 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one H(1) atom. The C(3)-C(5) bond length is 1.45 Å. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2) and one H(2) atom. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one H(3) atom. The C(5)-C(7) bond length is 1.40 Å. The C(5)-H(3) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(4) atom. The C(6)-C(7) bond length is 1.37 Å. The C(6)-H(4) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(5), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.48 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(7) and two equivalent C(9) atoms. There is one shorter (1.38 Å) and one longer (1.46 Å) C(8)-C(9) bond length. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to two equivalent C(8) and one H(5) atom. The C(9)-H(5) bond length is 0.93 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Mo(2) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(1) atom. Linkers: 32 [O]C(=O)c1ccc(-c2cc(-c3ccc(C([O])=O)cc3)cc(-c3ccc(C([O])=O)cc3)c2)cc1. Metal clusters: 24 O=[C]O[Zn]O[Mo]1O[Mo]234O[Mo]25(O[Mo](O[Zn]O[C]=O)O[Mo]26(O[Mo]27(O[Mo](O[Zn]O[C]=O)O[Mo]28(O[Mo]29(O[Mo](O[Zn]O[C]=O)O[Mo]2%10(O[Mo]2(O1)(O%10)O3)O9)O8)O7)O6)O5)O4. RCSR code: ctn. The MOF has largest included sphere 14.10 A, density 0.81 g/cm3, surface area 2479.87 m2/g, accessible volume 0.96 cm3/g