Mo12Cd5C8P8H8(N2O25)2(C3H2)4 crystallizes in the triclinic P-1 space group. The structure consists of two 2,3-dimethyl-1,3-butadiene molecules inside a Mo12Cd5C8P8H8(N2O25)2 framework. In the Mo12Cd5C8P8H8(N2O25)2 framework, there are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(15), one O(17), one O(18), one O(19), and one O(23) atom to form distorted MoO5 square pyramids that share  a cornercorner with one Cd(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mo(2)O5 square pyramid, and  an edgeedge with one Mo(3)O5 square pyramid. The corner-sharing octahedral tilt angles are 47°. The Mo(1)-O(15) bond length is 1.94 Å. The Mo(1)-O(17) bond length is 2.07 Å. The Mo(1)-O(18) bond length is 2.28 Å. The Mo(1)-O(19) bond length is 2.10 Å. The Mo(1)-O(23) bond length is 1.97 Å. In the second Mo site, Mo(2) is bonded to one O(12), one O(15), one O(16), one O(20), and one O(23) atom to form distorted MoO5 square pyramids that share  a cornercorner with one Cd(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mo(1)O5 square pyramid, and  an edgeedge with one Mo(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 46°. The Mo(2)-O(12) bond length is 2.30 Å. The Mo(2)-O(15) bond length is 1.93 Å. The Mo(2)-O(16) bond length is 2.08 Å. The Mo(2)-O(20) bond length is 2.10 Å. The Mo(2)-O(23) bond length is 1.97 Å. In the third Mo site, Mo(3) is bonded to one O(10), one O(18), one O(19), one O(25), and one O(9) atom to form distorted MoO5 square pyramids that share  a cornercorner with one Cd(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mo(1)O5 square pyramid, and  an edgeedge with one Mo(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 47°. The Mo(3)-O(10) bond length is 1.94 Å. The Mo(3)-O(18) bond length is 2.28 Å. The Mo(3)-O(19) bond length is 2.11 Å. The Mo(3)-O(25) bond length is 1.96 Å. The Mo(3)-O(9) bond length is 2.07 Å. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(22), one O(25), one O(4), and one O(6) atom to form distorted MoO5 square pyramids that share  a cornercorner with one Cd(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mo(3)O5 square pyramid, and  an edgeedge with one Mo(5)O5 square pyramid. The corner-sharing octahedral tilt angles are 49°. The Mo(4)-O(10) bond length is 1.96 Å. The Mo(4)-O(22) bond length is 2.09 Å. The Mo(4)-O(25) bond length is 1.97 Å. The Mo(4)-O(4) bond length is 2.29 Å. The Mo(4)-O(6) bond length is 2.02 Å. In the fifth Mo site, Mo(5) is bonded to one O(14), one O(21), one O(22), one O(24), and one O(4) atom to form distorted MoO5 square pyramids that share  a cornercorner with one Cd(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mo(4)O5 square pyramid, and  an edgeedge with one Mo(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 49°. The Mo(5)-O(14) bond length is 2.03 Å. The Mo(5)-O(21) bond length is 1.95 Å. The Mo(5)-O(22) bond length is 2.10 Å. The Mo(5)-O(24) bond length is 1.95 Å. The Mo(5)-O(4) bond length is 2.30 Å. In the sixth Mo site, Mo(6) is bonded to one O(12), one O(13), one O(20), one O(21), and one O(24) atom to form distorted MoO5 square pyramids that share  a cornercorner with one Cd(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mo(2)O5 square pyramid, and  an edgeedge with one Mo(5)O5 square pyramid. The corner-sharing octahedral tilt angles are 44°. The Mo(6)-O(12) bond length is 2.30 Å. The Mo(6)-O(13) bond length is 2.06 Å. The Mo(6)-O(20) bond length is 2.09 Å. The Mo(6)-O(21) bond length is 1.96 Å. The Mo(6)-O(24) bond length is 1.94 Å. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one N(2), one O(11), one O(3), and one O(5) atom to form distorted CdNO3 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The Cd(1)-N(2) bond length is 2.29 Å. The Cd(1)-O(11) bond length is 2.14 Å. The Cd(1)-O(3) bond length is 2.22 Å. The Cd(1)-O(5) bond length is 2.18 Å. In the second Cd site, Cd(2) is bonded to one N(1), one O(7), and two equivalent O(2) atoms to form CdNO3 trigonal pyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Cd(2)NO3 trigonal pyramid. The Cd(2)-N(1) bond length is 2.35 Å. The Cd(2)-O(7) bond length is 2.23 Å. There is one shorter (2.28 Å) and one longer (2.38 Å) Cd(2)-O(2) bond length. In the third Cd site, Cd(3) is bonded to two equivalent O(21), two equivalent O(23), and two equivalent O(25) atoms to form CdO6 octahedra that share corners with two equivalent Mo(1)O5 square pyramids, corners with two equivalent Mo(2)O5 square pyramids, corners with two equivalent Mo(3)O5 square pyramids, corners with two equivalent Mo(4)O5 square pyramids, corners with two equivalent Mo(5)O5 square pyramids, and corners with two equivalent Mo(6)O5 square pyramids. Both Cd(3)-O(21) bond lengths are 2.24 Å. Both Cd(3)-O(23) bond lengths are 2.30 Å. Both Cd(3)-O(25) bond lengths are 2.23 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.36 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.31 Å. The C(5)-H(4) bond length is 0.93 Å. In the third C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(5,8) atom. The C(6)-N(2) bond length is 1.34 Å. The C(6)-H(5,8) bond length is 0.93 Å. In the fourth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(5,8) atom. The C(10)-N(2) bond length is 1.33 Å. The C(10)-H(5,8) bond length is 0.93 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(18), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O5 square pyramid,  a cornercorner with one Mo(2)O5 square pyramid,  a cornercorner with one Mo(3)O5 square pyramid,  a cornercorner with one Mo(4)O5 square pyramid,  a cornercorner with one Mo(5)O5 square pyramid,  a cornercorner with one Mo(6)O5 square pyramid, and  a cornercorner with one Cd(1)NO3 trigonal pyramid. The P(1)-O(12) bond length is 1.56 Å. The P(1)-O(18) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(14), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(4)O5 square pyramid,  a cornercorner with one Mo(5)O5 square pyramid, and  a cornercorner with one Cd(1)NO3 trigonal pyramid. The P(2)-O(14) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.51 Å. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(8) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(1), one O(17), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O5 square pyramid,  a cornercorner with one Mo(3)O5 square pyramid, and  a cornercorner with one Cd(2)NO3 trigonal pyramid. The P(3)-O(1) bond length is 1.60 Å. The P(3)-O(17) bond length is 1.53 Å. The P(3)-O(7) bond length is 1.48 Å. The P(3)-O(9) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O5 square pyramid,  a cornercorner with one Mo(6)O5 square pyramid,  a cornercorner with one Cd(1)NO3 trigonal pyramid, and corners with two equivalent Cd(2)NO3 trigonal pyramids. The P(4)-O(11) bond length is 1.50 Å. The P(4)-O(13) bond length is 1.55 Å. The P(4)-O(16) bond length is 1.54 Å. The P(4)-O(2) bond length is 1.54 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(2), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cd(1), one C(10), and one C(6) atom. There are three 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(4) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(5,8) is bonded in a single-bond geometry to one C(6) atom. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(4), one Mo(5), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cd(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(4) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cd(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mo(3) and one P(3) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Mo(3) and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Mo(2), one Mo(6), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Mo(6) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Mo(5) and one P(2) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Mo(1) and one Mo(2) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Mo(2) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Mo(1) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(3), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(3) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(6) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Mo(5), one Mo(6), and one Cd(3) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Mo(4) and one Mo(5) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Cd(3) atom. In the twenty-fourth O site, O(24) is bonded in an L-shaped geometry to one Mo(5) and one Mo(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted T-shaped geometry to one Mo(3), one Mo(4), and one Cd(3) atom. Linkers: 2 c1cc(-c2ccncc2)ccn1. Metal clusters: 5 [Cd] ,12 [Mo]. The MOF has largest included sphere 5.32 A, density 2.34 g/cm3, surface area 1988.45 m2/g, accessible volume 0.20 cm3/g