CuC15H7O4 crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.93 Å. Both Cu(1)-O(2) bond lengths are 1.88 Å. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Cu(2)-O(3) bond lengths are 1.94 Å. Both Cu(2)-O(4) bond lengths are 1.91 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(15), one C(6), and one H(8) atom. The C(1)-C(15) bond length is 1.38 Å. The C(1)-C(6) bond length is 1.41 Å. The C(1)-H(8) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(12) and one H(6) atom. The C(2)-C(12) bond length is 1.36 Å. The C(2)-H(6) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(5) atom. The C(3)-C(12) bond length is 1.57 Å. The C(3)-C(16) bond length is 1.41 Å. The C(3)-C(5) bond length is 1.42 Å. In the fourth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(12), one C(7), and one H(3) atom. The C(8)-C(12) bond length is 1.31 Å. The C(8)-C(7) bond length is 1.46 Å. The C(8)-H(3) bond length is 0.93 Å. In the fifth C site, C(9) is bonded in a bent 120 degrees geometry to one C(18), one O(1), and one O(4) atom. The C(9)-C(18) bond length is 1.53 Å. The C(9)-O(1) bond length is 1.26 Å. The C(9)-O(4) bond length is 1.31 Å. In the sixth C site, C(4) is bonded in a distorted single-bond geometry to one C(18) and one H(2) atom. The C(4)-C(18) bond length is 1.33 Å. The C(4)-H(2) bond length is 0.93 Å. In the seventh C site, C(5) is bonded in a distorted single-bond geometry to two equivalent C(3) and one H(5) atom. The C(5)-H(5) bond length is 0.93 Å. In the eighth C site, C(7) is bonded in a distorted single-bond geometry to one C(18), one C(8), and one H(7) atom. The C(7)-C(18) bond length is 1.31 Å. The C(7)-H(7) bond length is 0.93 Å. In the ninth C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(14), and one C(17) atom. The C(6)-C(14) bond length is 1.59 Å. The C(6)-C(17) bond length is 1.46 Å. In the tenth C site, C(10) is bonded in a linear geometry to one C(11) and one C(15) atom. The C(10)-C(11) bond length is 1.09 Å. The C(10)-C(15) bond length is 1.30 Å. In the eleventh C site, C(11) is bonded in a linear geometry to one C(10) and one C(13) atom. The C(11)-C(13) bond length is 1.52 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(8) atom. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(11) and two equivalent C(16) atoms. Both C(13)-C(16) bond lengths are 1.39 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(2), and one O(3) atom. The C(14)-O(2) bond length is 1.21 Å. The C(14)-O(3) bond length is 1.37 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(10) and two equivalent C(1) atoms. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(13), one C(3), and one H(1) atom. The C(16)-H(1) bond length is 0.93 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to two equivalent C(6) and one H(4) atom. The C(17)-H(4) bond length is 0.93 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(4), one C(7), and one C(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(16) 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(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(9) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1) and one C(14) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(14) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(9) atom. Linkers: 3 [O]C(=O)c1ccc(-c2cc(C#Cc3cc(C([O])=O)cc(C([O])=O)c3)cc(-c3ccc(C([O])=O)cc3)c2)cc1. Metal clusters: 3 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: nbo. The MOF has largest included sphere 15.81 A, density 0.43 g/cm3, surface area 4105.27 m2/g, accessible volume 1.82 cm3/g