NaMo4C24H28S2(N2O13)2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four NaMo4C24H28S2(N2O13)2 clusters. Na(1) is bonded in a 6-coordinate geometry to one O(13), one O(15), one O(2), one O(24), one O(26), and one O(3) atom. The Na(1)-O(13) bond length is 2.48 Å. The Na(1)-O(15) bond length is 2.50 Å. The Na(1)-O(2) bond length is 2.48 Å. The Na(1)-O(24) bond length is 2.60 Å. The Na(1)-O(26) bond length is 2.48 Å. The Na(1)-O(3) bond length is 2.65 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one N(3), one S(1), one O(4), one O(6), and one O(7) atom. The Mo(1)-N(3) bond length is 2.29 Å. The Mo(1)-S(1) bond length is 2.33 Å. The Mo(1)-O(4) bond length is 2.13 Å. The Mo(1)-O(6) bond length is 2.18 Å. The Mo(1)-O(7) bond length is 1.92 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(4), one S(1), one O(10), one O(7), and one O(8) atom. The Mo(2)-N(4) bond length is 2.30 Å. The Mo(2)-S(1) bond length is 2.32 Å. The Mo(2)-O(10) bond length is 2.14 Å. The Mo(2)-O(7) bond length is 1.92 Å. The Mo(2)-O(8) bond length is 2.20 Å. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one N(1), one S(2), one O(17), one O(19), and one O(20) atom. The Mo(3)-N(1) bond length is 2.29 Å. The Mo(3)-S(2) bond length is 2.33 Å. The Mo(3)-O(17) bond length is 2.13 Å. The Mo(3)-O(19) bond length is 2.20 Å. The Mo(3)-O(20) bond length is 1.92 Å. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one N(2), one S(2), one O(20), one O(21), and one O(23) atom. The Mo(4)-N(2) bond length is 2.30 Å. The Mo(4)-S(2) bond length is 2.33 Å. The Mo(4)-O(20) bond length is 1.92 Å. The Mo(4)-O(21) bond length is 2.20 Å. The Mo(4)-O(23) bond length is 2.12 Å. There are twenty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(2) bond length is 1.21 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(5,6) atoms. The C(2)-N(3) bond length is 1.49 Å. Both C(2)-H(5,6) bond lengths are 0.99 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one N(3), one H(7), and one H(8) atom. The C(3)-N(3) bond length is 1.47 Å. The C(3)-H(7) bond length is 0.99 Å. The C(3)-H(8) bond length is 0.99 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(4)-O(3) bond length is 1.25 Å. The C(4)-O(4) bond length is 1.26 Å. In the fifth C site, C(5) is bonded in a 3-coordinate geometry to one N(3), one H(10), and one H(9) atom. The C(5)-N(3) bond length is 1.48 Å. The C(5)-H(10) bond length is 0.99 Å. The C(5)-H(9) bond length is 0.99 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(6)-O(5) bond length is 1.23 Å. The C(6)-O(6) bond length is 1.28 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(13) atom. The C(7)-O(12) bond length is 1.30 Å. The C(7)-O(13) bond length is 1.22 Å. In the eighth C site, C(8) is bonded in a 3-coordinate geometry to one N(4); one H(11,13); and one H(12,14) atom. The C(8)-N(4) bond length is 1.47 Å. The C(8)-H(11,13) bond length is 0.99 Å. The C(8)-H(12,14) bond length is 0.99 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(11) atom. The C(9)-O(10) bond length is 1.25 Å. The C(9)-O(11) bond length is 1.24 Å. In the tenth C site, C(10) is bonded in a 3-coordinate geometry to one N(4); one H(11,13); and one H(12,14) atom. The C(10)-N(4) bond length is 1.49 Å. The C(10)-H(11,13) bond length is 0.99 Å. The C(10)-H(12,14) bond length is 0.99 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one O(8), and one O(9) atom. The C(11)-C(12) bond length is 1.49 Å. The C(11)-O(8) bond length is 1.26 Å. The C(11)-O(9) bond length is 1.24 Å. In the twelfth C site, C(12) is bonded in a 3-coordinate geometry to one C(11); one N(4); and two equivalent H(15,16) atoms. The C(12)-N(4) bond length is 1.48 Å. Both C(12)-H(15,16) bond lengths are 0.99 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(15) atom. The C(13)-O(14) bond length is 1.31 Å. The C(13)-O(15) bond length is 1.20 Å. In the fourteenth C site, C(14) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(17,18) atoms. The C(14)-N(1) bond length is 1.47 Å. Both C(14)-H(17,18) bond lengths are 0.99 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(17) atom. The C(15)-O(16) bond length is 1.23 Å. The C(15)-O(17) bond length is 1.27 Å. In the sixteenth C site, C(16) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(19,20) atoms. The C(16)-N(1) bond length is 1.48 Å. Both C(16)-H(19,20) bond lengths are 0.99 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18), one O(18), and one O(19) atom. The C(17)-C(18) bond length is 1.51 Å. The C(17)-O(18) bond length is 1.23 Å. The C(17)-O(19) bond length is 1.29 Å. In the eighteenth C site, C(18) is bonded in a 3-coordinate geometry to one C(17); one N(1); and two equivalent H(21,22) atoms. The C(18)-N(1) bond length is 1.47 Å. Both C(18)-H(21,22) bond lengths are 0.99 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one O(25) and one O(26) atom. The C(19)-O(25) bond length is 1.32 Å. The C(19)-O(26) bond length is 1.21 Å. In the twentieth C site, C(20) is bonded in a 3-coordinate geometry to one N(2) and two equivalent H(23,24) atoms. The C(20)-N(2) bond length is 1.47 Å. Both C(20)-H(23,24) bond lengths are 0.99 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one O(23) and one O(24) atom. The C(21)-O(23) bond length is 1.27 Å. The C(21)-O(24) bond length is 1.24 Å. In the twenty-second C site, C(22) is bonded in a 3-coordinate geometry to one N(2) and two equivalent H(25,26) atoms. The C(22)-N(2) bond length is 1.49 Å. Both C(22)-H(25,26) bond lengths are 0.99 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one O(21) and one O(22) atom. The C(23)-O(21) bond length is 1.28 Å. The C(23)-O(22) bond length is 1.22 Å. In the twenty-fourth C site, C(24) is bonded in a 3-coordinate geometry to one N(2) and two equivalent H(27,28) atoms. The C(24)-N(2) bond length is 1.48 Å. Both C(24)-H(27,28) bond lengths are 0.99 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted tetrahedral geometry to one Mo(3), one C(14), one C(16), and one C(18) atom. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one Mo(4), one C(20), one C(22), and one C(24) atom. In the third N site, N(3) is bonded in a distorted tetrahedral geometry to one Mo(1), one C(2), one C(3), and one C(5) atom. In the fourth N site, N(4) is bonded in a distorted tetrahedral geometry to one Mo(2), one C(10), one C(12), and one C(8) atom. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.84 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. The H(2)-O(12) bond length is 0.84 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. The H(3)-O(14) bond length is 0.84 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(25) atom. The H(4)-O(25) bond length is 0.84 Å. In the fifth H site, H(5,6) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(11,13) is bonded in a single-bond geometry to one C(8) atom. In the eleventh H site, H(12,14) is bonded in a single-bond geometry to one C(8) atom. In the twelfth H site, H(15,16) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(17,18) is bonded in a single-bond geometry to one C(14) atom. In the fourteenth H site, H(19,20) is bonded in a single-bond geometry to one C(16) atom. In the fifteenth H site, H(21,22) is bonded in a single-bond geometry to one C(18) atom. In the sixteenth H site, H(23,24) is bonded in a single-bond geometry to one C(20) atom. In the seventeenth H site, H(25,26) is bonded in a single-bond geometry to one C(22) atom. In the eighteenth H site, H(27,28) is bonded in a single-bond geometry to one C(24) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Mo(2) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Mo(3) and one Mo(4) atom. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one C(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1) and one C(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one C(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(1) and one C(6) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mo(1) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(11) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(11) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(9) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one C(9) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one C(7) and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Na(1) and one C(7) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one C(13) and one H(3) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Na(1) and one C(13) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one C(15) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Mo(3) and one C(15) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one C(17) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Mo(3) and one C(17) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Mo(3) and one Mo(4) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Mo(4) and one C(23) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one C(23) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Mo(4) and one C(21) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Na(1) and one C(21) atom. In the twenty-fifth O site, O(25) is bonded in a water-like geometry to one C(19) and one H(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one Na(1) and one C(19) atom. Linkers: 16 [O]C(=O)CN(CC([O])=O)CC(=O)O. Metal clusters: 4 [Na] ,16 [Mo]. The MOF has largest included sphere 6.08 A, density 1.54 g/cm3, surface area 3259.42 m2/g, accessible volume 0.25 cm3/g