Cu2C45N5H27O12 is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two Cu2C45N5H27O12 clusters. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square pyramidal geometry to one N(3) and four equivalent O(2) atoms. The Cu(1)-N(3) bond length is 2.17 Å. All Cu(1)-O(2) bond lengths are 1.96 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. All Cu(2)-O(1) bond lengths are 1.96 Å. There are twenty inequivalent C sites. In the first C site, C(20) is bonded in a distorted trigonal planar geometry to two equivalent C(18) and one H(12) atom. Both C(20)-C(18) bond lengths are 1.35 Å. The C(20)-H(12) bond length is 0.95 Å. In the second C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.24 Å. The C(1)-O(2) bond length is 1.27 Å. In the third C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.38 Å. In the fourth C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.95 Å. In the fifth C site, C(4) is bonded in a distorted single-bond geometry to two equivalent C(2) and one H(3) atom. The C(4)-H(3) bond length is 0.95 Å. In the sixth C site, C(5) is bonded in a distorted single-bond geometry to one N(1) atom. The C(5)-N(1) bond length is 1.51 Å. In the seventh C site, C(6) is bonded in a 2-coordinate geometry to one C(8), one N(1), and one O(3) atom. The C(6)-C(8) bond length is 1.51 Å. The C(6)-N(1) bond length is 1.43 Å. The C(6)-O(3) bond length is 1.23 Å. In the eighth C site, C(7) is bonded in a single-bond geometry to one C(12), one C(8), and one H(4) atom. The C(7)-C(12) bond length is 1.40 Å. The C(7)-C(8) bond length is 1.35 Å. The C(7)-H(4) bond length is 0.95 Å. In the ninth C site, C(8) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.40 Å. In the tenth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(5) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(5) bond length is 0.95 Å. In the eleventh C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(6) atom. The C(10)-C(11) bond length is 1.36 Å. The C(10)-H(6) bond length is 0.95 Å. In the twelfth C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(16) atom. The C(11)-C(12) bond length is 1.38 Å. The C(11)-C(16) bond length is 1.42 Å. In the thirteenth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(7) atom. The C(12)-C(13) bond length is 1.40 Å. In the fourteenth C site, C(13) is bonded in a single-bond geometry to one C(12) and one H(7) atom. The C(13)-H(7) bond length is 0.95 Å. In the fifteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(15) and one H(8) atom. The C(14)-C(15) bond length is 1.35 Å. The C(14)-H(8) bond length is 0.95 Å. In the sixteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(16), and one N(2) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-N(2) bond length is 1.58 Å. In the seventeenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one H(9) atom. The C(16)-H(9) bond length is 0.95 Å. In the eighteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(18), one N(2), and one O(4) atom. The C(17)-C(18) bond length is 1.52 Å. The C(17)-N(2) bond length is 1.41 Å. The C(17)-O(4) bond length is 1.27 Å. In the nineteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(20) atom. The C(18)-C(19) bond length is 1.42 Å. In the twentieth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(18), one N(3), and one H(10) atom. The C(19)-N(3) bond length is 1.35 Å. The C(19)-H(10) bond length is 0.95 Å. There are three inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent C(19) atoms. In the second N site, N(1) is bonded in a distorted water-like geometry to one C(5), one C(6), and two equivalent H(2) atoms. Both N(1)-H(2) bond lengths are 0.92 Å. In the third N site, N(2) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one H(11) atom. The N(2)-H(11) bond length is 0.88 Å. There are twelve inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(9) is bonded in a distorted single-bond geometry to one C(16) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one N(2) atom. In the tenth H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the eleventh H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one C(6) atom. In the second O site, O(4) is bonded in a single-bond geometry to one C(17) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. Linkers: 24 O=C(c1cncc(c1)C(=O)Nc1ccc2c(c1)ccc(c2)C(=O)[NH2]c1cc(cc(c1)C(=O)[O])C(=O)[O])Nc1ccc2c(c1)ccc(c2)C(=O)[NH2]c1cc(cc(c1)C(=O)[O])C(=O)[O]. Metal clusters: 24 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: rhr. The MOF has largest included sphere 15.63 A, density 0.53 g/cm3, surface area 4433.33 m2/g, accessible volume 1.52 cm3/g