BaP4H14(C5O3)4(CH3)4 crystallizes in the monoclinic C2/c space group. The structure consists of sixteen 02329_fluka molecules inside a BaP4H14(C5O3)4 framework. In the BaP4H14(C5O3)4 framework, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Both Ba(1)-O(1) bond lengths are 2.68 Å. Both Ba(1)-O(4) bond lengths are 2.72 Å. There are two shorter (2.72 Å) and two longer (3.05 Å) Ba(1)-O(2) bond lengths. There are ten inequivalent C sites. In the first C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(6) atom. The C(2)-C(1) bond length is 1.44 Å. The C(2)-C(3) bond length is 1.43 Å. The C(2)-C(6) bond length is 1.41 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(4) atom. The C(3)-C(3) bond length is 1.42 Å. The C(3)-C(4) bond length is 1.43 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(7) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-C(7) bond length is 1.45 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one H(1) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-H(1) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one H(2) atom. The C(6)-H(2) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a trigonal planar geometry to one C(4), one C(8), and one P(1) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-P(1) bond length is 1.83 Å. In the seventh C site, C(8) is bonded in a distorted single-bond geometry to one C(1), one C(7), and one H(3) atom. The C(8)-C(1) bond length is 1.39 Å. The C(8)-H(3) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to two equivalent H(4,5) and one O(3) atom. Both C(9)-H(4,5) bond lengths are 1.10 Å. The C(9)-O(3) bond length is 1.46 Å. In the ninth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one H(6), one H(7), and one O(5) atom. The C(10)-H(6) bond length is 1.10 Å. The C(10)-H(7) bond length is 1.10 Å. The C(10)-O(5) bond length is 1.45 Å. In the tenth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(8), and one P(2) atom. The C(1)-P(2) bond length is 1.83 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one C(7), one O(1), one O(5), and one O(6) atom. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(5) bond length is 1.63 Å. The P(1)-O(6) bond length is 1.50 Å. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one C(1), one O(2), one O(3), and one O(4) atom. The P(2)-O(2) bond length is 1.51 Å. The P(2)-O(3) bond length is 1.61 Å. The P(2)-O(4) bond length is 1.51 Å. There are six 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(8) atom. In the fourth H site, H(4,5) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one C(9) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one C(10) and one P(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(1) atom. Linkers: 1 CCO[P@]([O])(=O)c1cc([P@@]([O])(=O)OCC)c2ccc3c([P@@]([O])(=O)OCC)cc([P@@]([O])(=O)OCC)c4ccc1c2c43 ,1 CCO[P@]([O])(=O)c1cc([P@]([O])(=O)OCC)c2ccc3c([P@@]([O])(=O)OCC)cc([P@]([O])(=O)OCC)c4ccc1c2c34 ,2 CCO[P@]([O])(=O)c1c[c]c2ccc3c([P@@]([O])(=O)OCC)cc([P@]([O])(=O)OCC)c4ccc1c2c34. Metal clusters: 2 [Ba]. The MOF has largest included sphere 4.31 A, density 1.56 g/cm3, surface area 4095.60 m2/g, accessible volume 0.22 cm3/g