LiMoC17H17S(N3O4)2(CH2)4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight 02329_fluka molecules and two LiMoC17H17S(N3O4)2 clusters. In each LiMoC17H17S(N3O4)2 cluster, Li(1) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(7), and one O(8) atom. The Li(1)-O(3) bond length is 1.92 Å. The Li(1)-O(5) bond length is 1.94 Å. The Li(1)-O(7) bond length is 1.93 Å. The Li(1)-O(8) bond length is 1.90 Å. Mo(1) is bonded in an octahedral geometry to one C(1), one C(2), one C(3), one N(1), one N(3), and one N(5) atom. The Mo(1)-C(1) bond length is 1.94 Å. The Mo(1)-C(2) bond length is 1.94 Å. The Mo(1)-C(3) bond length is 1.92 Å. The Mo(1)-N(1) bond length is 2.23 Å. The Mo(1)-N(3) bond length is 2.24 Å. The Mo(1)-N(5) bond length is 2.23 Å. There are seventeen inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one Mo(1) and one O(1) atom. The C(1)-O(1) bond length is 1.19 Å. In the second C site, C(2) is bonded in a distorted linear geometry to one Mo(1) and one O(2) atom. The C(2)-O(2) bond length is 1.19 Å. In the third C site, C(3) is bonded in a linear geometry to one Mo(1) and one O(3) atom. The C(3)-O(3) bond length is 1.20 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one N(4), and one N(6) atom. The C(4)-N(2) bond length is 1.47 Å. The C(4)-N(4) bond length is 1.46 Å. The C(4)-N(6) bond length is 1.46 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(1), and one H(1) atom. The C(5)-C(7) bond length is 1.41 Å. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(1) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(2), and one H(2) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-N(2) bond length is 1.37 Å. The C(6)-H(2) bond length is 1.08 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(5), one C(6), and one H(3) atom. The C(7)-H(3) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(3), and one H(4) atom. The C(8)-C(10) bond length is 1.41 Å. The C(8)-N(3) bond length is 1.34 Å. The C(8)-H(4) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(4), and one H(5) atom. The C(9)-C(10) bond length is 1.38 Å. The C(9)-N(4) bond length is 1.37 Å. The C(9)-H(5) bond length is 1.08 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(8), one C(9), and one H(6) atom. The C(10)-H(6) bond length is 1.08 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(5), and one H(7) atom. The C(11)-C(13) bond length is 1.41 Å. The C(11)-N(5) bond length is 1.34 Å. The C(11)-H(7) bond length is 1.08 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(6), and one H(8) atom. The C(12)-C(13) bond length is 1.38 Å. The C(12)-N(6) bond length is 1.37 Å. The C(12)-H(8) bond length is 1.08 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(11), one C(12), and one H(9) atom. The C(13)-H(9) bond length is 1.08 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal non-coplanar geometry to one H(10), one H(11), and one O(7) atom. The C(14)-H(10) bond length is 1.10 Å. The C(14)-H(11) bond length is 1.10 Å. The C(14)-O(7) bond length is 1.45 Å. In the fifteenth C site, C(17) is bonded in a distorted trigonal non-coplanar geometry to one H(16), one H(17), and one O(7) 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)-O(7) bond length is 1.46 Å. In the sixteenth C site, C(18) is bonded in a distorted trigonal non-coplanar geometry to one H(18), one H(19), and one O(8) atom. The C(18)-H(18) bond length is 1.10 Å. The C(18)-H(19) bond length is 1.10 Å. The C(18)-O(8) bond length is 1.45 Å. In the seventeenth C site, C(21) is bonded in a distorted trigonal non-coplanar geometry to one H(24), one H(25), and one O(8) atom. The C(21)-H(24) bond length is 1.10 Å. The C(21)-H(25) bond length is 1.10 Å. The C(21)-O(8) bond length is 1.46 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Mo(1), one C(5), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Mo(1), one C(8), and one N(4) atom. The N(3)-N(4) bond length is 1.37 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(4), one C(9), and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted single-bond geometry to one Mo(1), one C(11), and one N(6) atom. The N(5)-N(6) bond length is 1.37 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one C(12), one C(4), and one N(5) atom. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) 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(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(17) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(18) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(18) atom. In the sixteenth H site, H(24) is bonded in a single-bond geometry to one C(21) atom. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(21) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one O(5) and two equivalent O(4,6) atoms. The S(1)-O(5) bond length is 1.47 Å. Both S(1)-O(4,6) bond lengths are 1.45 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(1) and one C(3) atom. In the fourth O site, O(4,6) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one S(1) atom. In the sixth O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one C(14), and one C(17) atom. In the seventh O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one C(18), and one C(21) atom. Linkers: 2 [O]S([O])([O])C(n1cccn1)(n1cccn1)n1cccn1. Metal clusters: 2 [Li] ,2 [Mo]. The MOF has largest included sphere 1.98 A, density 1.61 g/cm3, surface area 4693.14 m2/g, accessible volume 0.08 cm3/g