Mo16Cd5C30P8H18(N2O9)6(CH)30 crystallizes in the monoclinic P2_1/c space group. The structure consists of sixty 02329_fluka molecules inside a Mo16Cd5C30P8H18(N2O9)6 framework. In the Mo16Cd5C30P8H18(N2O9)6 framework, there are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) 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,  an edgeedge with one Mo(6)O5 square pyramid, and  an edgeedge with one Cd(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. The Mo(1)-O(1) bond length is 1.95 Å. The Mo(1)-O(2) bond length is 1.97 Å. The Mo(1)-O(3) bond length is 2.23 Å. The Mo(1)-O(4) bond length is 2.12 Å. The Mo(1)-O(5) bond length is 2.11 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(14), one O(15), one O(16), and one O(2) 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,  a cornercorner with one Cd(1)O5 trigonal bipyramid,  an edgeedge with one Mo(1)O5 square pyramid, and  an edgeedge with one Mo(3)O5 square pyramid. The corner-sharing octahedral tilt angles are 49°. The Mo(2)-O(1) bond length is 1.96 Å. The Mo(2)-O(14) bond length is 2.25 Å. The Mo(2)-O(15) bond length is 2.11 Å. The Mo(2)-O(16) bond length is 2.05 Å. The Mo(2)-O(2) bond length is 1.97 Å. In the third Mo site, Mo(3) is bonded to one O(14), one O(15), one O(17), one O(6), and one O(7) 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(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 48°. The Mo(3)-O(14) bond length is 2.27 Å. The Mo(3)-O(15) bond length is 2.13 Å. The Mo(3)-O(17) bond length is 2.05 Å. The Mo(3)-O(6) bond length is 1.97 Å. The Mo(3)-O(7) bond length is 1.96 Å. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(6), one O(7), one O(8), 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(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 46°. The Mo(4)-O(10) bond length is 2.07 Å. The Mo(4)-O(6) bond length is 1.97 Å. The Mo(4)-O(7) bond length is 1.95 Å. The Mo(4)-O(8) bond length is 2.07 Å. The Mo(4)-O(9) bond length is 2.33 Å. In the fifth Mo site, Mo(5) is bonded to one O(10), one O(11), one O(12), one O(18), 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(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 46°. The Mo(5)-O(10) bond length is 2.11 Å. The Mo(5)-O(11) bond length is 1.97 Å. The Mo(5)-O(12) bond length is 1.93 Å. The Mo(5)-O(18) bond length is 2.05 Å. The Mo(5)-O(9) bond length is 2.33 Å. In the sixth Mo site, Mo(6) is bonded to one O(11), one O(12), one O(13), one O(3), and one O(5) 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(5)O5 square pyramid. The corner-sharing octahedral tilt angles are 49°. The Mo(6)-O(11) bond length is 1.97 Å. The Mo(6)-O(12) bond length is 1.93 Å. The Mo(6)-O(13) bond length is 2.05 Å. The Mo(6)-O(3) bond length is 2.30 Å. The Mo(6)-O(5) bond length is 2.12 Å. In the seventh Mo site, Mo(7) is bonded to one N(3), one N(4), one O(24), one O(25), and one O(26) atom to form distorted MoN2O3 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra and  an edgeedge with one Mo(8)N2O3 square pyramid. The Mo(7)-N(3) bond length is 2.32 Å. The Mo(7)-N(4) bond length is 2.24 Å. The Mo(7)-O(24) bond length is 1.92 Å. The Mo(7)-O(25) bond length is 1.95 Å. The Mo(7)-O(26) bond length is 2.05 Å. In the eighth Mo site, Mo(8) is bonded to one N(5), one N(6), one O(24), one O(25), and one O(27) atom to form distorted MoN2O3 square pyramids that share  a cornercorner with one P(4)O4 tetrahedra and  an edgeedge with one Mo(7)N2O3 square pyramid. The Mo(8)-N(5) bond length is 2.25 Å. The Mo(8)-N(6) bond length is 2.34 Å. The Mo(8)-O(24) bond length is 1.94 Å. The Mo(8)-O(25) bond length is 1.92 Å. The Mo(8)-O(27) bond length is 2.08 Å. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(20), one O(4), and two equivalent O(19) atoms to form distorted CdO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mo(1)O5 square pyramid, and  an edgeedge with one Cd(1)O5 trigonal bipyramid. The Cd(1)-O(1) bond length is 2.27 Å. The Cd(1)-O(20) bond length is 2.27 Å. The Cd(1)-O(4) bond length is 2.50 Å. There is one shorter (2.19 Å) and one longer (2.52 Å) Cd(1)-O(19) bond length. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), one O(20), one O(21), one O(7), and one O(8) atom. The Cd(2)-N(1) bond length is 2.28 Å. The Cd(2)-N(2) bond length is 2.33 Å. The Cd(2)-O(20) bond length is 2.32 Å. The Cd(2)-O(21) bond length is 2.22 Å. The Cd(2)-O(7) bond length is 2.28 Å. The Cd(2)-O(8) bond length is 2.62 Å. In the third Cd site, Cd(3) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(6) 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(11) bond lengths are 2.26 Å. Both Cd(3)-O(2) bond lengths are 2.30 Å. Both Cd(3)-O(6) bond lengths are 2.30 Å. There are fifteen 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 1.30 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one C(9) and one H(4) atom. The C(4)-C(9) bond length is 1.44 Å. The C(4)-H(4) bond length is 0.93 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(10) and one H(5) atom. The C(5)-C(10) bond length is 1.37 Å. The C(5)-H(5) bond length is 0.93 Å. In the fourth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(8) atom. The C(8)-N(2) bond length is 1.33 Å. The C(8)-H(8) bond length is 0.93 Å. In the fifth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(4), and one N(1) atom. The C(9)-C(10) bond length is 1.49 Å. The C(9)-N(1) bond length is 1.34 Å. In the sixth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(5), one C(9), and one N(2) atom. The C(10)-N(2) bond length is 1.33 Å. In the seventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(9) atom. The C(11)-N(3) bond length is 1.31 Å. The C(11)-H(9) bond length is 0.93 Å. In the eighth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(16) atom. The C(18)-N(4) bond length is 1.33 Å. The C(18)-H(16) bond length is 0.93 Å. In the ninth C site, C(19) is bonded in a distorted single-bond geometry to one N(3) atom. The C(19)-N(3) bond length is 1.37 Å. In the tenth C site, C(20) is bonded in a distorted single-bond geometry to one N(4) atom. The C(20)-N(4) bond length is 1.36 Å. In the eleventh C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(17) atom. The C(21)-N(5) bond length is 1.34 Å. The C(21)-H(17) bond length is 0.93 Å. In the twelfth C site, C(24) is bonded in a distorted single-bond geometry to one C(29) and one H(20) atom. The C(24)-C(29) bond length is 1.37 Å. The C(24)-H(20) bond length is 0.93 Å. In the thirteenth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(24) atom. The C(28)-N(6) bond length is 1.34 Å. The C(28)-H(24) bond length is 0.93 Å. In the fourteenth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(24), one C(30), and one N(5) atom. The C(29)-C(30) bond length is 1.48 Å. The C(29)-N(5) bond length is 1.34 Å. In the fifteenth C site, C(30) is bonded in a distorted single-bond geometry to one C(29) and one N(6) atom. The C(30)-N(6) bond length is 1.32 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(19), one O(3), 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(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 corners with two equivalent Cd(1)O5 trigonal bipyramids. The P(1)-O(14) bond length is 1.55 Å. The P(1)-O(19) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(9) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(18), one O(20), one O(26), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(7)N2O3 square pyramid,  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)O5 trigonal bipyramid. The P(2)-O(18) bond length is 1.53 Å. The P(2)-O(20) bond length is 1.52 Å. The P(2)-O(26) bond length is 1.52 Å. The P(2)-O(8) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(13), one O(21), one O(22), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O5 square pyramid,  a cornercorner with one Mo(6)O5 square pyramid, and  a cornercorner with one Cd(1)O5 trigonal bipyramid. The P(3)-O(13) bond length is 1.51 Å. The P(3)-O(21) bond length is 1.50 Å. The P(3)-O(22) bond length is 1.56 Å. The P(3)-O(4) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(16), one O(17), one O(23), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(8)N2O3 square pyramid,  a cornercorner with one Mo(2)O5 square pyramid, and  a cornercorner with one Mo(3)O5 square pyramid. The P(4)-O(16) bond length is 1.51 Å. The P(4)-O(17) bond length is 1.52 Å. The P(4)-O(23) bond length is 1.56 Å. The P(4)-O(27) bond length is 1.51 Å. There are six 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(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cd(2), one C(10), and one C(8) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Mo(7), one C(11), and one C(19) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Mo(7), one C(18), and one C(20) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Mo(8), one C(21), and one C(29) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Mo(8), one C(28), and one C(30) atom. There are nine 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(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(16) is bonded in a single-bond geometry to one C(18) atom. In the seventh H site, H(17) is bonded in a single-bond geometry to one C(21) atom. In the eighth H site, H(20) is bonded in a single-bond geometry to one C(24) atom. In the ninth H site, H(24) is bonded in a single-bond geometry to one C(28) atom. There are twenty-seven inequivalent O sites. In the first O site, O(12) is bonded in an L-shaped geometry to one Mo(5) and one Mo(6) atom. In the second O site, O(15) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the third O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(4) atom. In the fourth O site, O(1) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Cd(1) atom. In the fifth O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Cd(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mo(3), one Mo(4), and one Cd(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mo(3), one Mo(4), and one Cd(2) atom. In the eighth O site, O(9) is bonded in a distorted single-bond geometry to one Mo(4), one Mo(5), and one P(1) atom. In the ninth O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(4) and one Mo(5) atom. In the tenth O site, O(13) is bonded in a distorted single-bond geometry to one Mo(6) and one P(3) atom. In the eleventh O site, O(14) is bonded in a distorted single-bond geometry to one Mo(2), one Mo(3), and one P(1) atom. In the twelfth O site, O(17) is bonded in a distorted single-bond geometry to one Mo(3) and one P(4) atom. In the thirteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Mo(5) and one P(2) atom. In the fourteenth O site, O(19) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one P(1) atom. In the fifteenth O site, O(20) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(2) atom. In the sixteenth O site, O(11) is bonded in a distorted T-shaped geometry to one Mo(5), one Mo(6), and one Cd(3) atom. In the seventeenth O site, O(21) is bonded in a bent 120 degrees geometry to one Cd(2) and one P(3) atom. In the eighteenth O site, O(22) is bonded in a single-bond geometry to one P(3) atom. In the nineteenth O site, O(23) is bonded in a single-bond geometry to one P(4) atom. In the twentieth O site, O(24) is bonded in an L-shaped geometry to one Mo(7) and one Mo(8) atom. In the twenty-first O site, O(25) is bonded in an L-shaped geometry to one Mo(7) and one Mo(8) atom. In the twenty-second O site, O(26) is bonded in a distorted bent 150 degrees geometry to one Mo(7) and one P(2) atom. In the twenty-third O site, O(27) is bonded in a bent 150 degrees geometry to one Mo(8) and one P(4) atom. In the twenty-fourth O site, O(3) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(6), and one P(1) atom. In the twenty-fifth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(1), one Cd(1), and one P(3) atom. In the twenty-sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(6) atom. In the twenty-seventh O site, O(8) is bonded in a 1-coordinate geometry to one Mo(4), one Cd(2), and one P(2) atom. Linkers: 8 c1ccc(-c2ccccn2)nc1. Metal clusters: 10 [Cd] ,32 [Mo]. The MOF has largest included sphere 6.30 A, density 2.13 g/cm3, surface area 2469.60 m2/g, accessible volume 0.19 cm3/g