CuC12NH7O4 crystallizes in the trigonal R-3 space group. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1,3) and two equivalent O(2,4) atoms. Both Cu(1)-O(1,3) bond lengths are 1.95 Å. Both Cu(1)-O(2,4) bond lengths are 1.96 Å. There are nine inequivalent C sites. In the first C site, C(1,6) is bonded in a bent 120 degrees geometry to one C(2,7); one O(1,3); and one O(2,4) atom. The C(1,6)-C(2,7) bond length is 1.49 Å. The C(1,6)-O(1,3) bond length is 1.26 Å. The C(1,6)-O(2,4) bond length is 1.26 Å. In the second C site, C(2,7) is bonded in a trigonal planar geometry to one C(1,6); one C(10); and one C(3,8) atom. The C(2,7)-C(10) bond length is 1.38 Å. The C(2,7)-C(3,8) bond length is 1.40 Å. In the third C site, C(3,8) is bonded in a single-bond geometry to one C(11); one C(2,7); and one H(1,4) atom. The C(3,8)-C(11) bond length is 1.38 Å. The C(3,8)-H(1,4) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(12), one C(9), and one H(3) atom. The C(4)-C(12) bond length is 1.35 Å. The C(4)-C(9) bond length is 1.06 Å. The C(4)-H(3) bond length is 0.97 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(12), one N(1), and one H(2) atom. The C(5)-C(12) bond length is 1.37 Å. The C(5)-N(1) bond length is 1.06 Å. The C(5)-H(2) bond length is 0.96 Å. In the sixth C site, C(9) is bonded in a 4-coordinate geometry to one C(12), one C(4), one N(1), and one H(5) atom. The C(9)-C(12) bond length is 1.37 Å. The C(9)-N(1) bond length is 1.34 Å. The C(9)-H(5) bond length is 0.96 Å. In the seventh C site, C(10) is bonded in a distorted single-bond geometry to two equivalent C(2,7) and one H(7) atom. The C(10)-H(7) bond length is 0.93 Å. In the eighth C site, C(11) is bonded in a trigonal planar geometry to one C(12) and two equivalent C(3,8) atoms. The C(11)-C(12) bond length is 1.48 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(4), one C(5), one C(9), and one N(1) atom. The C(12)-N(1) bond length is 1.35 Å. N(1) is bonded in a 4-coordinate geometry to one C(12), one C(5), one C(9), and one H(6) atom. The N(1)-H(6) bond length is 0.97 Å. There are six inequivalent H sites. In the first H site, H(1,4) is bonded in a single-bond geometry to one C(3,8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(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 N(1) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. There are two inequivalent O sites. In the first O site, O(1,3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1,6) atom. In the second O site, O(2,4) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1,6) atom. Linkers: 2 [C@@H]12[C@@H]3[C@]42[C@H]2[N@@H]4[C@H]4[C@@]5([N@H]1[C@H]35)[C@@H]24.[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O].[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O] ,3 [C@@H]12[C@@H]3[C@@]42[C@H]2[N@@H]4[C@H]4[C@@]5([N@H]1[C@H]35)[C@@H]24.[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O].[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O] ,2 [C@@H]12[C@@H]3[C@]42[C@H]2[N@@H]4[C@H]4[C@]5([N@H]1[C@H]35)[C@@H]24.[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O].[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O] ,2 [C@@H]12[C@@H]3[C@@]42[C@H]2[N@@H]4[C@H]4[C@]5([N@H]1[C@H]35)[C@@H]24.[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O].[O]C(=O)C1=C[C]=CC(=C1)C(=O)[O]. Metal clusters: 9 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: nbo. The MOF has largest included sphere 11.21 A, density 0.76 g/cm3, surface area 3481.39 m2/g, accessible volume 1.00 cm3/g