Mo6Zn2C6NH4O14(C3H2)2 is Indium-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is zero-dimensional and consists of thirty-two 2,3-dimethyl-1,3-butadiene molecules and sixteen Mo6Zn2C6NH4O14 clusters. In each Mo6Zn2C6NH4O14 cluster, there are six 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(7), and one O(8) atom. The Mo(1)-O(1) bond length is 1.95 Å. The Mo(1)-O(2) bond length is 1.96 Å. The Mo(1)-O(7) bond length is 2.02 Å. The Mo(1)-O(8) bond length is 1.97 Å. In the second Mo site, Mo(2) is bonded in a distorted T-shaped geometry to one O(8), one O(9), and two equivalent O(4) atoms. The Mo(2)-O(8) bond length is 1.98 Å. The Mo(2)-O(9) bond length is 2.02 Å. There is one shorter (1.95 Å) and one longer (1.97 Å) Mo(2)-O(4) bond length. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(13), and one O(2) atom. The Mo(3)-O(1) bond length is 1.95 Å. The Mo(3)-O(12) bond length is 2.01 Å. The Mo(3)-O(13) bond length is 2.02 Å. The Mo(3)-O(2) bond length is 1.94 Å. In the fourth Mo site, Mo(4) is bonded in a distorted square co-planar geometry to one O(10), one O(13), and two equivalent O(6) atoms. The Mo(4)-O(10) bond length is 2.00 Å. The Mo(4)-O(13) bond length is 2.03 Å. There is one shorter (1.95 Å) and one longer (1.98 Å) Mo(4)-O(6) bond length. In the fifth Mo site, Mo(5) is bonded in a 3-coordinate geometry to one O(10), one O(12), one O(3), and one O(5) atom. The Mo(5)-O(10) bond length is 1.83 Å. The Mo(5)-O(12) bond length is 1.81 Å. The Mo(5)-O(3) bond length is 2.03 Å. The Mo(5)-O(5) bond length is 2.01 Å. In the sixth Mo site, Mo(6) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. The Mo(6)-O(3) bond length is 1.99 Å. The Mo(6)-O(5) bond length is 2.02 Å. The Mo(6)-O(7) bond length is 1.82 Å. The Mo(6)-O(9) bond length is 1.82 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one O(11), one O(2), one O(3), and one O(6) atom. The Zn(1)-O(11) bond length is 1.95 Å. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(3) bond length is 1.93 Å. The Zn(1)-O(6) bond length is 1.96 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(1), one O(1), one O(4), and one O(5) atom. The Zn(2)-N(1) bond length is 1.97 Å. The Zn(2)-O(1) bond length is 1.98 Å. The Zn(2)-O(4) bond length is 1.95 Å. The Zn(2)-O(5) bond length is 1.93 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(9) atom. The C(1)-C(2) bond length is 1.33 Å. The C(1)-C(3) bond length is 1.49 Å. The C(1)-C(9) bond length is 1.36 Å. In the second C site, C(3) is bonded in a bent 120 degrees geometry to one C(1), one O(11), and one O(14) atom. The C(3)-O(11) bond length is 1.24 Å. The C(3)-O(14) bond length is 1.28 Å. In the third C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 0.93 Å. In the fourth C site, C(9) is bonded in a distorted single-bond geometry to one C(1) and one H(5) atom. The C(9)-H(5) bond length is 0.93 Å. In the fifth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(8)-N(1) bond length is 1.30 Å. The C(8)-H(4) bond length is 0.93 Å. In the sixth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(7) atom. The C(11)-N(1) bond length is 1.20 Å. The C(11)-H(7) bond length is 0.93 Å. N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(11), and one C(8) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. There are fourteen 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(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mo(5), one Mo(6), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Mo(2) and one Zn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mo(5), one Mo(6), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Mo(4) and one Zn(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(6) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(6) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(4) and one Mo(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mo(3) and one Mo(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(3) and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one C(3) atom. Linkers: 32 [O]C(=O)c1ccc(-c2ccncc2)cc1. Metal clusters: 8 O=[C]O[Zn]1O[Mo]2O[Mo@@]34O[Zn]O[Mo]5O[Mo@@](O1)(O[Mo]16(O5)O[Mo]1(O2)(O3)O6)[Mo@@]12O[Zn](O[C]=O)O[Mo]3O[Mo@]45O[Zn]O[Mo](O1)O[Mo]14(O2)O[Mo]1(O3)(O5)O4 ,8 O=[C]O[Zn]1O[Mo]2O[Mo@]34O[Zn]O[Mo]5O[Mo@](O1)(O[Mo]16(O5)O[Mo]1(O2)(O3)O6)[Mo@]12O[Zn](O[C]=O)O[Mo]3O[Mo@@]45O[Zn]O[Mo](O1)O[Mo]14(O2)O[Mo]1(O3)(O5)O4. The MOF has largest included sphere 8.77 A, density 1.23 g/cm3, surface area 2267.97 m2/g, accessible volume 0.52 cm3/g