Mo4CuC18N2H24O13 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Mo4CuC18N2H24O13 cluster. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(13), one O(2), and one O(3) atom. The Mo(1)-O(1) bond length is 1.78 Å. The Mo(1)-O(12) bond length is 2.01 Å. The Mo(1)-O(13) bond length is 2.09 Å. The Mo(1)-O(2) bond length is 1.69 Å. The Mo(1)-O(3) bond length is 1.88 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(13), and one O(9) atom. The Mo(2)-O(10) bond length is 1.89 Å. The Mo(2)-O(11) bond length is 1.77 Å. The Mo(2)-O(12) bond length is 2.25 Å. The Mo(2)-O(13) bond length is 1.89 Å. The Mo(2)-O(9) bond length is 1.71 Å. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(3), one O(4), one O(5), and one O(6) atom. The Mo(3)-O(10) bond length is 2.36 Å. The Mo(3)-O(13) bond length is 2.40 Å. The Mo(3)-O(3) bond length is 1.96 Å. The Mo(3)-O(4) bond length is 1.71 Å. The Mo(3)-O(5) bond length is 1.71 Å. The Mo(3)-O(6) bond length is 1.96 Å. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(6), one O(7), and one O(8) atom. The Mo(4)-O(10) bond length is 2.09 Å. The Mo(4)-O(12) bond length is 2.01 Å. The Mo(4)-O(6) bond length is 1.88 Å. The Mo(4)-O(7) bond length is 1.69 Å. The Mo(4)-O(8) bond length is 1.78 Å. Cu(1) is bonded in a distorted square co-planar geometry to one N(1), one N(2), one O(1), and one O(8) atom. The Cu(1)-N(1) bond length is 1.96 Å. The Cu(1)-N(2) bond length is 1.97 Å. The Cu(1)-O(1) bond length is 1.95 Å. The Cu(1)-O(8) bond length is 1.93 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(4) atom. The C(3)-C(11) bond length is 1.52 Å. The C(3)-C(4) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 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)-C(6) bond length is 1.47 Å. The C(5)-N(1) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one N(2) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.36 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one H(4) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(15), one C(7), and one C(9) atom. The C(8)-C(15) bond length is 1.52 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(5) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(5) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(2), and one H(6) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(6) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a tetrahedral geometry to one C(12), one C(13), one C(14), and one C(3) atom. The C(11)-C(12) bond length is 1.54 Å. The C(11)-C(13) bond length is 1.54 Å. The C(11)-C(14) bond length is 1.53 Å. In the twelfth C site, C(12) is bonded in a trigonal non-coplanar geometry to one C(11), one H(10), one H(11), and one H(12) atom. The C(12)-H(10) bond length is 1.10 Å. The C(12)-H(11) bond length is 1.10 Å. The C(12)-H(12) bond length is 1.10 Å. In the thirteenth C site, C(13) is bonded in a trigonal non-coplanar geometry to one C(11), one H(22), one H(23), and one H(24) atom. The C(13)-H(22) bond length is 1.10 Å. The C(13)-H(23) bond length is 1.10 Å. The C(13)-H(24) bond length is 1.10 Å. In the fourteenth C site, C(14) is bonded in a trigonal non-coplanar geometry to one C(11), one H(7), one H(8), and one H(9) atom. The C(14)-H(7) bond length is 1.10 Å. The C(14)-H(8) bond length is 1.09 Å. The C(14)-H(9) bond length is 1.10 Å. In the fifteenth C site, C(15) is bonded in a tetrahedral geometry to one C(16), one C(17), one C(18), and one C(8) atom. The C(15)-C(16) bond length is 1.53 Å. The C(15)-C(17) bond length is 1.54 Å. The C(15)-C(18) bond length is 1.54 Å. In the sixteenth C site, C(16) is bonded in a trigonal non-coplanar geometry to one C(15), one H(13), one H(14), and one H(15) atom. The C(16)-H(13) bond length is 1.10 Å. The C(16)-H(14) bond length is 1.10 Å. The C(16)-H(15) bond length is 1.10 Å. In the seventeenth C site, C(17) is bonded in a trigonal non-coplanar geometry to one C(15), one H(16), one H(17), and one H(18) atom. The C(17)-H(16) bond length is 1.10 Å. The C(17)-H(17) bond length is 1.10 Å. The C(17)-H(18) bond length is 1.10 Å. In the eighteenth C site, C(18) is bonded in a trigonal non-coplanar geometry to one C(15), one H(19), one H(20), and one H(21) atom. The C(18)-H(19) bond length is 1.10 Å. The C(18)-H(20) bond length is 1.10 Å. The C(18)-H(21) bond length is 1.10 Å. There are two 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(1), one C(10), and one C(6) atom. There are twenty-four 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(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(16) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(16) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(17) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(17) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(17) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(18) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(18) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(18) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(13) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(13) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mo(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mo(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(3) and one Mo(4) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(4) and one Cu(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Mo(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. Linkers: 2 CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1. Metal clusters: 1 [O][Mo]1([O])O[Mo]23([O])O[Cu]O[Mo]([O])(O1)(O[Mo]([O])([O])O[Mo]14([O])O[Cu]O[Mo]([O])(O[Mo]([O])([O])O1)(O[Mo]([O])([O])O2)O4)O3. The MOF has largest included sphere 2.59 A, density 2.28 g/cm3, surface area 2923.60 m2/g, accessible volume 0.10 cm3/g