CuC4HO3 crystallizes in the triclinic P1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(13), one O(14), one O(3), and one O(8) atom to form distorted edge-sharing CuO5 trigonal bipyramids. The Cu(1)-O(1) bond length is 1.94 Å. The Cu(1)-O(13) bond length is 1.98 Å. The Cu(1)-O(14) bond length is 2.02 Å. The Cu(1)-O(3) bond length is 2.53 Å. The Cu(1)-O(8) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(14), one O(15), one O(2), and one O(9) atom to form distorted edge-sharing CuO5 trigonal bipyramids. The Cu(2)-O(1) bond length is 2.53 Å. The Cu(2)-O(14) bond length is 1.99 Å. The Cu(2)-O(15) bond length is 2.03 Å. The Cu(2)-O(2) bond length is 1.95 Å. The Cu(2)-O(9) bond length is 1.94 Å. In the third Cu site, Cu(3) is bonded to one O(13), one O(15), one O(2), one O(3), and one O(7) atom to form distorted edge-sharing CuO5 trigonal bipyramids. The Cu(3)-O(13) bond length is 2.04 Å. The Cu(3)-O(15) bond length is 1.98 Å. The Cu(3)-O(2) bond length is 2.54 Å. The Cu(3)-O(3) bond length is 1.94 Å. The Cu(3)-O(7) bond length is 1.95 Å. In the fourth Cu site, Cu(4) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(17), one O(4), and one O(6) atom. The Cu(4)-O(11) bond length is 1.94 Å. The Cu(4)-O(16) bond length is 1.99 Å. The Cu(4)-O(17) bond length is 2.04 Å. The Cu(4)-O(4) bond length is 1.95 Å. The Cu(4)-O(6) bond length is 2.54 Å. In the fifth Cu site, Cu(5) is bonded to one O(12), one O(17), one O(18), one O(4), and one O(5) atom to form distorted edge-sharing CuO5 trigonal bipyramids. The Cu(5)-O(12) bond length is 1.95 Å. The Cu(5)-O(17) bond length is 1.98 Å. The Cu(5)-O(18) bond length is 2.05 Å. The Cu(5)-O(4) bond length is 2.53 Å. The Cu(5)-O(5) bond length is 1.94 Å. In the sixth Cu site, Cu(6) is bonded to one O(10), one O(16), one O(18), one O(5), and one O(6) atom to form distorted edge-sharing CuO5 trigonal bipyramids. The Cu(6)-O(10) bond length is 1.94 Å. The Cu(6)-O(16) bond length is 2.02 Å. The Cu(6)-O(18) bond length is 1.98 Å. The Cu(6)-O(5) bond length is 2.53 Å. The Cu(6)-O(6) bond length is 1.94 Å. There are twenty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(7) atom. The C(1)-C(7) bond length is 1.49 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(7) bond length is 1.28 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(2), and one O(8) atom. The C(2)-C(8) bond length is 1.49 Å. The C(2)-O(2) bond length is 1.28 Å. The C(2)-O(8) bond length is 1.28 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(3), and one O(9) atom. The C(3)-C(9) bond length is 1.48 Å. The C(3)-O(3) bond length is 1.28 Å. The C(3)-O(9) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(10), and one O(4) atom. The C(4)-C(10) bond length is 1.49 Å. The C(4)-O(10) bond length is 1.28 Å. The C(4)-O(4) bond length is 1.28 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(11), and one O(5) atom. The C(5)-C(11) bond length is 1.49 Å. The C(5)-O(11) bond length is 1.28 Å. The C(5)-O(5) bond length is 1.28 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(12), and one O(6) atom. The C(6)-C(12) bond length is 1.49 Å. The C(6)-O(12) bond length is 1.28 Å. The C(6)-O(6) bond length is 1.28 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(13), and one C(22) atom. The C(7)-C(13) bond length is 1.43 Å. The C(7)-C(22) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(14), one C(2), and one C(23) atom. The C(8)-C(14) bond length is 1.43 Å. The C(8)-C(23) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(15), one C(24), and one C(3) atom. The C(9)-C(15) bond length is 1.43 Å. The C(9)-C(24) bond length is 1.39 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(16), one C(19), and one C(4) atom. The C(10)-C(16) bond length is 1.43 Å. The C(10)-C(19) bond length is 1.39 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(17), one C(20), and one C(5) atom. The C(11)-C(17) bond length is 1.43 Å. The C(11)-C(20) bond length is 1.39 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(18), one C(21), and one C(6) atom. The C(12)-C(18) bond length is 1.43 Å. The C(12)-C(21) bond length is 1.39 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(19), one C(7), and one O(13) atom. The C(13)-C(19) bond length is 1.41 Å. The C(13)-O(13) bond length is 1.34 Å. In the fourteenth C site, C(14) is bonded in a single-bond geometry to one C(20), one C(8), and one O(14) atom. The C(14)-C(20) bond length is 1.41 Å. The C(14)-O(14) bond length is 1.34 Å. In the fifteenth C site, C(15) is bonded in a single-bond geometry to one C(21), one C(9), and one O(15) atom. The C(15)-C(21) bond length is 1.41 Å. The C(15)-O(15) bond length is 1.34 Å. In the sixteenth C site, C(16) is bonded in a single-bond geometry to one C(10), one C(22), and one O(16) atom. The C(16)-C(22) bond length is 1.41 Å. The C(16)-O(16) bond length is 1.34 Å. In the seventeenth C site, C(17) is bonded in a single-bond geometry to one C(11), one C(23), and one O(17) atom. The C(17)-C(23) bond length is 1.41 Å. The C(17)-O(17) bond length is 1.34 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(12), one C(24), and one O(18) atom. The C(18)-C(24) bond length is 1.41 Å. The C(18)-O(18) bond length is 1.34 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(10), one C(13), and one H(1) atom. The C(19)-H(1) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(11), one C(14), and one H(2) atom. The C(20)-H(2) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(12), one C(15), and one H(3) atom. The C(21)-H(3) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal planar geometry to one C(16), one C(7), and one H(4) atom. The C(22)-H(4) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(17), one C(8), and one H(5) atom. The C(23)-H(5) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(18), one C(9), and one H(6) atom. The C(24)-H(6) bond length is 1.09 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(19) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(20) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(21) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(22) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(23) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(24) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(3), and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(3), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(4), one Cu(5), and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(5), one Cu(6), and one C(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(4), one Cu(6), and one C(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cu(2) and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cu(6) and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(4) and one C(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(5) and one C(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(3), and one C(13) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one C(14) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one C(15) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(6), and one C(16) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(5), and one C(17) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Cu(5), one Cu(6), and one C(18) atom. Linkers: 3 [O]C(=O)c1cc([O])c(C([O])=O)cc1[O]. Metal clusters: 6 [Cu]. The MOF has largest included sphere 11.48 A, density 1.30 g/cm3, surface area 2557.49 m2/g, accessible volume 0.55 cm3/g