La4Mo12PH6(C9O20)2 crystallizes in the orthorhombic P2_12_12 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one O(1), one O(17), one O(18), one O(19), one O(5), and one O(9) atom. The La(1)-O(1) bond length is 2.57 Å. The La(1)-O(17) bond length is 2.59 Å. The La(1)-O(18) bond length is 2.61 Å. The La(1)-O(19) bond length is 2.56 Å. The La(1)-O(5) bond length is 2.59 Å. The La(1)-O(9) bond length is 2.50 Å. In the second La site, La(2) is bonded in a 3-coordinate geometry to one O(13), one O(15), one O(6), and one O(8) atom. The La(2)-O(13) bond length is 2.47 Å. The La(2)-O(15) bond length is 2.56 Å. The La(2)-O(6) bond length is 2.54 Å. The La(2)-O(8) bond length is 2.44 Å. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. The Mo(1)-O(2) bond length is 2.03 Å. The Mo(1)-O(3) bond length is 2.08 Å. The Mo(1)-O(4) bond length is 2.55 Å. Both Mo(1)-O(1) bond lengths are 1.97 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Mo(2)-O(3) bond length is 2.08 Å. The Mo(2)-O(4) bond length is 2.49 Å. The Mo(2)-O(5) bond length is 1.95 Å. The Mo(2)-O(6) bond length is 1.96 Å. The Mo(2)-O(7) bond length is 2.03 Å. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(7), one O(8), and one O(9) atom. The Mo(3)-O(2) bond length is 1.82 Å. The Mo(3)-O(4) bond length is 2.64 Å. The Mo(3)-O(7) bond length is 1.83 Å. The Mo(3)-O(8) bond length is 1.98 Å. The Mo(3)-O(9) bond length is 1.99 Å. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(8), and one O(9) atom. The Mo(4)-O(10) bond length is 1.83 Å. The Mo(4)-O(11) bond length is 1.85 Å. The Mo(4)-O(12) bond length is 2.65 Å. The Mo(4)-O(8) bond length is 2.00 Å. The Mo(4)-O(9) bond length is 1.97 Å. In the fifth Mo site, Mo(5) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(14), and two equivalent O(13) atoms. The Mo(5)-O(11) bond length is 2.02 Å. The Mo(5)-O(12) bond length is 2.47 Å. The Mo(5)-O(14) bond length is 2.06 Å. Both Mo(5)-O(13) bond lengths are 1.95 Å. In the sixth Mo site, Mo(6) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(14), one O(5), and one O(6) atom. The Mo(6)-O(10) bond length is 2.02 Å. The Mo(6)-O(12) bond length is 2.52 Å. The Mo(6)-O(14) bond length is 2.07 Å. The Mo(6)-O(5) bond length is 1.95 Å. The Mo(6)-O(6) bond length is 1.97 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.39 Å. The C(1)-C(7) bond length is 1.48 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(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-C(8) bond length is 1.50 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(2) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(9) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-C(9) bond length is 1.55 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(15), and one O(16) atom. The C(7)-O(15) bond length is 1.25 Å. The C(7)-O(16) bond length is 1.31 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(17), and one O(18) atom. The C(8)-O(17) bond length is 1.28 Å. The C(8)-O(18) bond length is 1.26 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(5), one O(19), and one O(20) atom. The C(9)-O(19) bond length is 1.27 Å. The C(9)-O(20) bond length is 1.26 Å. P(1) is bonded in a tetrahedral geometry to two equivalent O(12) and two equivalent O(4) atoms. Both P(1)-O(12) bond lengths are 1.55 Å. Both P(1)-O(4) bond lengths are 1.56 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), one Mo(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Mo(2), and one Mo(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(2), one Mo(2), and one Mo(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one La(2), one Mo(3), and one Mo(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one La(1), one Mo(3), and one Mo(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mo(4) and one Mo(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mo(4) and one Mo(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Mo(4), one Mo(5), one Mo(6), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(2) and two equivalent Mo(5) atoms. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mo(5) and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one La(2) and one C(7) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one C(7) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one La(1) and one C(8) atom. In the eighteenth O site, O(18) is bonded in a distorted L-shaped geometry to one La(1) and one C(8) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one La(1) and one C(9) atom. In the twentieth O site, O(20) is bonded in a single-bond geometry to one C(9) atom. Linkers: 4 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 2 O1[Mo]23O[Mo]14O[Mo]156O[Mo]17(O[Mo]18O[Mo]9(O1)O[Mo]1%10(O[Mo]1(O2)(O%10)O[Mo]12(O3)O[Mo]1(O8)(O2)O7)O[Mo]12(O9)O[Mo]1(O4)(O2)O5)O6.O=[C]O[La]1O[C]O1.O=[C]O[La]1O[C]O1.[C]1O[La]O1.[C]1O[La]O1. RCSR code: rtl. The MOF has largest included sphere 10.47 A, density 1.59 g/cm3, surface area 1816.38 m2/g, accessible volume 0.44 cm3/g