Mo4Cu2C20N6H12O7(CH)4 crystallizes in the monoclinic C2/c space group. The structure consists of thirty-two 02329_fluka molecules inside a Mo4Cu2C20N6H12O7 framework. In the Mo4Cu2C20N6H12O7 framework, there are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(7) atom. The Mo(1)-O(1) bond length is 1.87 Å. The Mo(1)-O(3) bond length is 2.21 Å. The Mo(1)-O(7) bond length is 1.89 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(6), and one O(7) atom. The Mo(2)-O(1) bond length is 2.31 Å. The Mo(2)-O(5) bond length is 1.97 Å. The Mo(2)-O(6) bond length is 1.95 Å. The Mo(2)-O(7) bond length is 2.26 Å. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. The Mo(3)-O(1) bond length is 2.14 Å. The Mo(3)-O(2) bond length is 1.72 Å. The Mo(3)-O(3) bond length is 2.01 Å. The Mo(3)-O(6) bond length is 1.88 Å. In the fourth Mo site, Mo(4) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. The Mo(4)-O(3) bond length is 2.00 Å. The Mo(4)-O(4) bond length is 1.73 Å. The Mo(4)-O(5) bond length is 1.88 Å. The Mo(4)-O(7) bond length is 2.09 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal pyramidal geometry to one N(1), one N(4), one O(2), and one O(4) atom. The Cu(1)-N(1) bond length is 1.98 Å. The Cu(1)-N(4) bond length is 2.01 Å. The Cu(1)-O(2) bond length is 2.06 Å. The Cu(1)-O(4) bond length is 2.11 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one N(2), one N(3), one N(5), and one N(6) atom. The Cu(2)-N(2) bond length is 1.98 Å. The Cu(2)-N(3) bond length is 2.09 Å. The Cu(2)-N(5) bond length is 2.08 Å. The Cu(2)-N(6) bond length is 1.98 Å. There are twenty inequivalent C sites. In the first C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(3) atom. The C(6)-C(5) bond length is 1.48 Å. The C(6)-C(7) bond length is 1.41 Å. The C(6)-N(3) bond length is 1.34 Å. In the second C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(3) atom. The C(7)-C(8) bond length is 1.48 Å. The C(7)-N(3) bond length is 1.34 Å. In the third 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 1.35 Å. The C(1)-H(1) bond length is 0.92 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-H(4) bond length is 0.84 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(5)-N(1) bond length is 1.35 Å. In the sixth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one N(2) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-N(2) bond length is 1.35 Å. In the seventh C site, C(9) is bonded in a single-bond geometry to one C(8) and one H(5) atom. The C(9)-H(5) bond length is 0.83 Å. In the eighth C site, C(11) is bonded in a single-bond geometry to one C(12) and one H(7) atom. The C(11)-C(12) bond length is 1.38 Å. The C(11)-H(7) bond length is 0.94 Å. In the ninth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(2), and one H(8) atom. The C(12)-N(2) bond length is 1.34 Å. The C(12)-H(8) bond length is 0.91 Å. In the tenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(9) atom. The C(13)-N(4) bond length is 1.34 Å. The C(13)-H(9) bond length is 0.94 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(15) and one H(10) atom. The C(14)-C(15) bond length is 1.38 Å. The C(14)-H(10) bond length is 0.86 Å. In the twelfth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(16), and one H(11) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-H(11) bond length is 1.03 Å. In the thirteenth C site, C(16) is bonded in a single-bond geometry to one C(15), one C(17), and one H(12) atom. The C(16)-C(17) bond length is 1.38 Å. The C(16)-H(12) bond length is 0.83 Å. In the fourteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one C(18), and one N(4) atom. The C(17)-C(18) bond length is 1.49 Å. The C(17)-N(4) bond length is 1.34 Å. In the fifteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(19), and one N(5) atom. The C(18)-C(19) bond length is 1.40 Å. The C(18)-N(5) bond length is 1.33 Å. In the sixteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one N(5) atom. The C(19)-C(20) bond length is 1.48 Å. The C(19)-N(5) bond length is 1.36 Å. In the seventeenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one C(21), and one N(6) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-N(6) bond length is 1.36 Å. In the eighteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(20) and one H(13) atom. The C(21)-H(13) bond length is 0.89 Å. In the nineteenth C site, C(23) is bonded in a distorted single-bond geometry to one C(24) and one H(15) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-H(15) bond length is 0.97 Å. In the twentieth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(23), one N(6), and one H(16) atom. The C(24)-N(6) bond length is 1.33 Å. The C(24)-H(16) bond length is 0.98 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(12), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(6), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(17) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(2), one C(18), and one C(19) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(2), one C(20), and one C(24) atom. There are twelve 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(9) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(23) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(4) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(4) 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 distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. Linkers: 1 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[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=C[CH]/[C]=N/[Cu].[CH]=[CH].[CH]=[CH].[CH]=[C][C][C]/N=[C]/[C][N].[CH][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]/[C]=C\C([C])=N\[Cu][N][C]([C][N])/[C]=N\[C].[C]=[CH].[C]N=[CH].[C]N=[C].[C]N=[C].[C][CH].[C][CH].[C][CH].[C][C]=[CH].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N][C].[C][N][C].[C][N][C].[C][N][C].[C][N][C].[C][N][C].[C][N][C].[C][N][C].[C][N][C].[C][N][C].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N]. Metal clusters: 2 O1[Cu]O[Mo@]23O[Mo]O[Mo@]1(O[Mo]O[Mo@@]14O[Cu]O[Mo@](O[Mo]O1)(O[Mo]O2)O4)O3. The MOF has largest included sphere 4.06 A, density 2.04 g/cm3, surface area 2859.64 m2/g, accessible volume 0.17 cm3/g