BaCu6C36H42(N3O10)2 crystallizes in the trigonal R3 space group. Ba(1) is bonded in a cuboctahedral geometry to three equivalent O(2), three equivalent O(3), three equivalent O(4), and three equivalent O(5) atoms. All Ba(1)-O(2) bond lengths are 2.85 Å. All Ba(1)-O(3) bond lengths are 3.06 Å. All Ba(1)-O(4) bond lengths are 3.06 Å. All Ba(1)-O(5) bond lengths are 2.85 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one O(1), one O(2), and one O(7) atom. The Cu(1)-N(1) bond length is 1.94 Å. The Cu(1)-O(1) bond length is 2.00 Å. The Cu(1)-O(2) bond length is 1.98 Å. The Cu(1)-O(7) bond length is 1.98 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one N(2), one O(5), one O(6), and one O(8) atom. The Cu(2)-N(2) bond length is 1.94 Å. The Cu(2)-O(5) bond length is 1.98 Å. The Cu(2)-O(6) bond length is 2.01 Å. The Cu(2)-O(8) bond length is 1.98 Å. There are twelve inequivalent C sites. In the first C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(5) atom. The C(7)-O(4) bond length is 1.26 Å. The C(7)-O(5) bond length is 1.30 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. The C(1)-O(2) bond length is 1.28 Å. The C(1)-O(3) bond length is 1.27 Å. In the third C site, C(2) is bonded in a distorted water-like geometry to one C(3), one N(1), and one H(1) atom. The C(2)-C(3) bond length is 1.59 Å. The C(2)-N(1) bond length is 1.45 Å. The C(2)-H(1) bond length is 1.00 Å. In the fourth C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(3)-C(5) bond length is 1.51 Å. The C(3)-C(6) bond length is 1.29 Å. In the fifth C site, C(8) is bonded in a 2-coordinate geometry to one C(9), one N(2), and one H(8) atom. The C(8)-C(9) bond length is 1.56 Å. The C(8)-N(2) bond length is 1.49 Å. The C(8)-H(8) bond length is 1.00 Å. In the sixth C site, C(9) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(8) atom. The C(9)-C(11) bond length is 1.52 Å. The C(9)-C(12) bond length is 1.44 Å. In the seventh C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one O(1) atom. The C(10)-N(2) bond length is 1.29 Å. The C(10)-O(1) bond length is 1.31 Å. In the eighth C site, C(11) is bonded in a trigonal non-coplanar geometry to one C(9), one H(10), one H(11), and one H(9) atom. The C(11)-H(10) bond length is 0.98 Å. The C(11)-H(11) bond length is 0.98 Å. The C(11)-H(9) bond length is 0.98 Å. In the ninth C site, C(12) is bonded in a trigonal non-coplanar geometry to one C(9), one H(12), one H(13), and one H(14) atom. The C(12)-H(12) bond length is 0.97 Å. The C(12)-H(13) bond length is 0.98 Å. The C(12)-H(14) bond length is 0.99 Å. In the tenth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one O(6) atom. The C(4)-N(1) bond length is 1.31 Å. The C(4)-O(6) bond length is 1.29 Å. In the eleventh C site, C(5) is bonded in a trigonal non-coplanar geometry to one C(3); one H(4); and two equivalent H(2,3) atoms. The C(5)-H(4) bond length is 0.98 Å. Both C(5)-H(2,3) bond lengths are 0.98 Å. In the twelfth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(5), one H(6), and one H(7) atom. The C(6)-H(5) bond length is 0.98 Å. The C(6)-H(6) bond length is 0.98 Å. The C(6)-H(7) bond length is 0.98 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(10), and one C(8) atom. In the second N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(4) atom. There are thirteen 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(2,3) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(12) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one C(10) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one C(1) atom. In the third O site, O(7) is bonded in a trigonal non-coplanar geometry to three equivalent Cu(1) atoms. In the fourth O site, O(8) is bonded in a trigonal non-coplanar geometry to three equivalent Cu(2) atoms. In the fifth O site, O(3) is bonded in a single-bond geometry to one Ba(1) and one C(1) atom. In the sixth O site, O(4) is bonded in a single-bond geometry to one Ba(1) and one C(7) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(2), and one C(7) atom. In the eighth O site, O(6) is bonded in a water-like geometry to one Cu(2) and one C(4) atom. Linkers: 9 C[C](C)[C@H]([N]C(=O)C(=O)[N][C@@H]([C](C)C)C([O])=O)C([O])=O. Metal clusters: 3 [Ba] ,18 [Cu]. The MOF has largest included sphere 7.59 A, density 1.17 g/cm3, surface area 3777.98 m2/g, accessible volume 0.47 cm3/g