MoPH6(C2O3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom. The Mo(1)-O(1) bond length is 2.00 Å. The Mo(1)-O(11) bond length is 2.37 Å. The Mo(1)-O(4) bond length is 2.14 Å. The Mo(1)-O(6) bond length is 2.01 Å. The Mo(1)-O(7) bond length is 1.71 Å. The Mo(1)-O(9) bond length is 1.71 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(8) atom. The Mo(2)-O(10) bond length is 1.71 Å. The Mo(2)-O(12) bond length is 2.37 Å. The Mo(2)-O(2) bond length is 2.00 Å. The Mo(2)-O(3) bond length is 2.14 Å. The Mo(2)-O(5) bond length is 2.01 Å. The Mo(2)-O(8) bond length is 1.71 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted water-like geometry to one C(3); one P(1); one H(1,2); and one H(3,4) atom. The C(1)-C(3) bond length is 1.50 Å. The C(1)-P(1) bond length is 1.80 Å. The C(1)-H(1,2) bond length is 1.10 Å. The C(1)-H(3,4) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one C(4); one P(2); one H(1,2); and one H(3,4) atom. The C(2)-C(4) bond length is 1.50 Å. The C(2)-P(2) bond length is 1.80 Å. The C(2)-H(1,2) bond length is 1.10 Å. The C(2)-H(3,4) bond length is 1.10 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. The C(3)-C(5) bond length is 1.40 Å. The C(3)-C(7) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(8) atom. The C(4)-C(6) bond length is 1.40 Å. The C(4)-C(8) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one H(5) atom. The C(5)-C(7) bond length is 1.39 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(6) atom. The C(6)-C(8) bond length is 1.40 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(3); one C(5); and one H(7,8) atom. The C(7)-H(7,8) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(4); one C(6); and one H(7,8) atom. The C(8)-H(7,8) bond length is 1.09 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one C(1), one O(1), one O(3), and one O(5) atom. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.56 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one C(2), one O(2), one O(4), and one O(6) atom. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.56 Å. There are nine 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(1) 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(6) 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 O(11) atom. The H(9)-O(11) bond length is 0.99 Å. In the seventh H site, H(10) is bonded in a single-bond geometry to one O(12) atom. The H(10)-O(12) bond length is 0.99 Å. In the eighth H site, H(11) is bonded in a single-bond geometry to one O(11) atom. The H(11)-O(11) bond length is 0.99 Å. In the ninth H site, H(12) is bonded in a single-bond geometry to one O(12) atom. The H(12)-O(12) bond length is 0.99 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mo(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Mo(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Mo(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Mo(1), one H(11), and one H(9) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Mo(2), one H(10), and one H(12) atom. Linkers: 2 [O]P([O])(=O)Cc1ccc(CP([O])([O])=O)cc1. Metal clusters: 4 [Mo]. The MOF has largest included sphere 4.23 A, density 1.91 g/cm3, surface area 3054.13 m2/g, accessible volume 0.16 cm3/g