La2Mo3C18N3H18S4O20 crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one O(10), one O(15), one O(20), one O(5), and one O(6) atom. The La(1)-O(10) bond length is 2.53 Å. The La(1)-O(15) bond length is 2.60 Å. The La(1)-O(20) bond length is 2.46 Å. The La(1)-O(5) bond length is 2.46 Å. The La(1)-O(6) bond length is 2.46 Å. In the second La site, La(2) is bonded in a 5-coordinate geometry to one O(12), one O(18), one O(9), and two equivalent O(17) atoms. The La(2)-O(12) bond length is 2.44 Å. The La(2)-O(18) bond length is 2.60 Å. The La(2)-O(9) bond length is 2.48 Å. There is one shorter (2.52 Å) and one longer (2.66 Å) La(2)-O(17) bond length. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one N(1), one S(1), one S(2), one S(3), one O(1), and one O(2) atom. The Mo(1)-N(1) bond length is 2.31 Å. The Mo(1)-S(1) bond length is 2.35 Å. The Mo(1)-S(2) bond length is 2.29 Å. The Mo(1)-S(3) bond length is 2.29 Å. The Mo(1)-O(1) bond length is 2.15 Å. The Mo(1)-O(2) bond length is 2.13 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one N(2), one S(1), one S(2), one S(4), one O(7), and one O(8) atom. The Mo(2)-N(2) bond length is 2.32 Å. The Mo(2)-S(1) bond length is 2.34 Å. The Mo(2)-S(2) bond length is 2.28 Å. The Mo(2)-S(4) bond length is 2.30 Å. The Mo(2)-O(7) bond length is 2.16 Å. The Mo(2)-O(8) bond length is 2.11 Å. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one N(3), one S(1), one S(3), one S(4), one O(13), and one O(14) atom. The Mo(3)-N(3) bond length is 2.30 Å. The Mo(3)-S(1) bond length is 2.34 Å. The Mo(3)-S(3) bond length is 2.29 Å. The Mo(3)-S(4) bond length is 2.30 Å. The Mo(3)-O(13) bond length is 2.13 Å. The Mo(3)-O(14) bond length is 2.13 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(1,2) atoms. The C(1)-N(1) bond length is 1.50 Å. Both C(1)-H(1,2) bond lengths are 0.99 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. The C(2)-O(1) bond length is 1.28 Å. The C(2)-O(3) bond length is 1.24 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(3,4) atoms. The C(3)-N(1) bond length is 1.49 Å. Both C(3)-H(3,4) bond lengths are 0.99 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. The C(4)-O(2) bond length is 1.29 Å. The C(4)-O(4) bond length is 1.23 Å. In the fifth C site, C(5) is bonded in a 3-coordinate geometry to one C(6), one N(1), one H(5), and one H(6) atom. The C(5)-C(6) bond length is 1.53 Å. The C(5)-N(1) bond length is 1.50 Å. The C(5)-H(5) bond length is 0.99 Å. The C(5)-H(6) bond length is 0.99 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one O(5), and one O(6) atom. The C(6)-O(5) bond length is 1.24 Å. The C(6)-O(6) bond length is 1.25 Å. In the seventh C site, C(7) is bonded in a 3-coordinate geometry to one C(8); one N(2); and two equivalent H(7,8) atoms. The C(7)-C(8) bond length is 1.50 Å. The C(7)-N(2) bond length is 1.48 Å. Both C(7)-H(7,8) bond lengths are 0.99 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one O(7), and one O(9) atom. The C(8)-O(7) bond length is 1.28 Å. The C(8)-O(9) bond length is 1.23 Å. In the ninth C site, C(9) is bonded in a 3-coordinate geometry to one C(10), one N(2), one H(10), and one H(9) atom. The C(9)-C(10) bond length is 1.50 Å. The C(9)-N(2) bond length is 1.49 Å. The C(9)-H(10) bond length is 0.99 Å. The C(9)-H(9) bond length is 0.99 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one O(10), and one O(8) atom. The C(10)-O(10) bond length is 1.24 Å. The C(10)-O(8) bond length is 1.28 Å. In the eleventh C site, C(11) is bonded in a 3-coordinate geometry to one N(2) and two equivalent H(11,12) atoms. The C(11)-N(2) bond length is 1.48 Å. Both C(11)-H(11,12) bond lengths are 0.99 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(12) atom. The C(12)-O(11) bond length is 1.23 Å. The C(12)-O(12) bond length is 1.23 Å. In the thirteenth C site, C(13) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(13,14) atoms. The C(13)-N(3) bond length is 1.49 Å. Both C(13)-H(13,14) bond lengths are 0.99 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(15) atom. The C(14)-O(13) bond length is 1.29 Å. The C(14)-O(15) bond length is 1.24 Å. In the fifteenth C site, C(15) is bonded in a 3-coordinate geometry to one C(16); one N(3); and two equivalent H(15,16) atoms. The C(15)-C(16) bond length is 1.52 Å. The C(15)-N(3) bond length is 1.50 Å. Both C(15)-H(15,16) bond lengths are 0.99 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one O(14), and one O(16) atom. The C(16)-O(14) bond length is 1.29 Å. The C(16)-O(16) bond length is 1.23 Å. In the seventeenth C site, C(17) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(17,18) atoms. The C(17)-N(3) bond length is 1.49 Å. Both C(17)-H(17,18) bond lengths are 0.99 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(17) and one O(18) atom. The C(18)-O(17) bond length is 1.28 Å. The C(18)-O(18) bond length is 1.24 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted tetrahedral geometry to one Mo(1), one C(1), one C(3), and one C(5) atom. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one Mo(2), one C(11), one C(7), and one C(9) atom. In the third N site, N(3) is bonded in a distorted tetrahedral geometry to one Mo(3), one C(13), one C(15), and one C(17) atom. There are eleven inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(3) 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(6) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(7,8) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(11,12) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(13,14) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(15,16) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(17,18) is bonded in a single-bond geometry to one C(17) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second S site, S(2) is bonded in a distorted L-shaped geometry to one Mo(1) and one Mo(2) atom. In the third S site, S(3) is bonded in a distorted L-shaped geometry to one Mo(1) and one Mo(3) atom. In the fourth S site, S(4) is bonded in a 2-coordinate geometry to one Mo(2) and one Mo(3) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one C(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one C(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(1) and one C(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one La(1) and one C(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(8) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(10) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one La(2) and one C(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one La(1) and one C(10) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one C(12) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one La(2) and one C(12) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(3) and one C(14) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mo(3) and one C(16) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one La(1) and one C(14) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one C(16) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to two equivalent La(2) and one C(18) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one La(2) and one C(18) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one O(20) atom. The O(19)-O(20) bond length is 0.70 Å. In the twentieth O site, O(20) is bonded in a water-like geometry to one La(1) and one O(19) atom. Linkers: 6 [O]C(=O)CN(CC([O])=O)CC([O])=O. Metal clusters: 4 [La] ,6 [Mo]. The MOF has largest included sphere 5.31 A, density 1.84 g/cm3, surface area 2626.93 m2/g, accessible volume 0.28 cm3/g