Cu3C46N2H28O13 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square pyramidal geometry to one N(1), one O(1), one O(3), one O(5), and one O(7) atom. The Cu(1)-N(1) bond length is 2.20 Å. The Cu(1)-O(1) bond length is 2.00 Å. The Cu(1)-O(3) bond length is 2.00 Å. The Cu(1)-O(5) bond length is 1.99 Å. The Cu(1)-O(7) bond length is 2.00 Å. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one N(2); two equivalent O(2,4); and two equivalent O(6,8) atoms. The Cu(2)-N(2) bond length is 2.20 Å. Both Cu(2)-O(2,4) bond lengths are 2.00 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Cu(2)-O(6,8) bond length. In the third Cu site, Cu(3) is bonded in a distorted square pyramidal geometry to one O(13) and four equivalent O(9,10,11,12) atoms. The Cu(3)-O(13) bond length is 2.31 Å. All Cu(3)-O(9,10,11,12) bond lengths are 1.98 Å. There are twenty-four inequivalent C sites. In the first C site, C(4,5,6,7) is bonded in a trigonal planar geometry to one C(1,2); one C(12,15); and one C(23,24,26) atom. The C(4,5,6,7)-C(1,2) bond length is 1.40 Å. The C(4,5,6,7)-C(12,15) bond length is 1.48 Å. The C(4,5,6,7)-C(23,24,26) bond length is 1.40 Å. In the second C site, C(39,40) is bonded in a distorted bent 120 degrees geometry to one C(20,21,22) and two equivalent O(9,10,11,12) atoms. The C(39,40)-C(20,21,22) bond length is 1.50 Å. Both C(39,40)-O(9,10,11,12) bond lengths are 1.28 Å. In the third C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(20,21,22) and two equivalent O(9,10,11,12) atoms. The C(41)-C(20,21,22) bond length is 1.49 Å. Both C(41)-O(9,10,11,12) bond lengths are 1.28 Å. In the fourth C site, C(8) is bonded in a trigonal planar geometry to one C(16,18,19); one C(31,33,34); and one C(35,37,38) atom. The C(8)-C(16,18,19) bond length is 1.49 Å. The C(8)-C(31,33,34) bond length is 1.40 Å. The C(8)-C(35,37,38) bond length is 1.40 Å. In the fifth C site, C(9,10,11) is bonded in a trigonal planar geometry to one C(17), one C(32), and one C(36) atom. The C(9,10,11)-C(17) bond length is 1.49 Å. The C(9,10,11)-C(32) bond length is 1.40 Å. The C(9,10,11)-C(36) bond length is 1.40 Å. In the sixth C site, C(42,43,44,45) is bonded in a distorted trigonal planar geometry to one C(12,15); one C(35,37,38); and one H(22,24,25) atom. The C(42,43,44,45)-C(12,15) bond length is 1.41 Å. The C(42,43,44,45)-C(35,37,38) bond length is 1.39 Å. The C(42,43,44,45)-H(22,24,25) bond length is 1.09 Å. In the seventh C site, C(12,15) is bonded in a trigonal planar geometry to one C(27,28,29,30); one C(4,5,6,7); and one C(42,43,44,45) atom. The C(12,15)-C(27,28,29,30) bond length is 1.41 Å. In the eighth C site, C(13) is bonded in a trigonal planar geometry to one C(27,28,29,30); one C(4,5,6,7); and one C(42,43,44,45) atom. The C(13)-C(27,28,29,30) bond length is 1.41 Å. The C(13)-C(4,5,6,7) bond length is 1.48 Å. The C(13)-C(42,43,44,45) bond length is 1.41 Å. In the ninth C site, C(14) is bonded in a trigonal planar geometry to one C(27,28,29,30); one C(4,5,6,7); and one C(42,43,44,45) atom. The C(14)-C(27,28,29,30) bond length is 1.41 Å. The C(14)-C(4,5,6,7) bond length is 1.48 Å. The C(14)-C(42,43,44,45) bond length is 1.41 Å. In the tenth C site, C(46) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(26,27,28,29) atom. The C(46)-N(1) bond length is 1.34 Å. The C(46)-H(26,27,28,29) bond length is 1.09 Å. In the eleventh C site, C(47,49) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(26,27,28,29) atom. The C(47,49)-N(2) bond length is 1.34 Å. The C(47,49)-H(26,27,28,29) bond length is 1.09 Å. In the twelfth C site, C(48) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(26,27,28,29) atom. The C(48)-N(1) bond length is 1.34 Å. The C(48)-H(26,27,28,29) bond length is 1.09 Å. In the thirteenth C site, C(16,18,19) is bonded in a bent 120 degrees geometry to one C(8), one O(1), and one O(5) atom. The C(16,18,19)-O(1) bond length is 1.28 Å. The C(16,18,19)-O(5) bond length is 1.28 Å. In the fourteenth C site, C(17) is bonded in a bent 120 degrees geometry to one C(9,10,11); one O(2,4); and one O(6,8) atom. The C(17)-O(2,4) bond length is 1.28 Å. The C(17)-O(6,8) bond length is 1.28 Å. In the fifteenth C site, C(20,21,22) is bonded in a trigonal planar geometry to one C(39,40) and two equivalent C(23,24,26) atoms. Both C(20,21,22)-C(23,24,26) bond lengths are 1.40 Å. In the sixteenth C site, C(23,24,26) is bonded in a distorted single-bond geometry to one C(20,21,22); one C(4,5,6,7); and one H(6,7,8,9) atom. The C(23,24,26)-H(6,7,8,9) bond length is 1.09 Å. In the seventeenth C site, C(25) is bonded in a distorted single-bond geometry to one C(20,21,22); one C(4,5,6,7); and one H(6,7,8,9) atom. The C(25)-C(20,21,22) bond length is 1.40 Å. The C(25)-C(4,5,6,7) bond length is 1.40 Å. The C(25)-H(6,7,8,9) bond length is 1.09 Å. In the eighteenth C site, C(27,28,29,30) is bonded in a distorted single-bond geometry to one C(12,15); one C(31,33,34); and one H(10,11,12,13) atom. The C(27,28,29,30)-C(31,33,34) bond length is 1.39 Å. The C(27,28,29,30)-H(10,11,12,13) bond length is 1.09 Å. In the nineteenth C site, C(35,37,38) is bonded in a distorted single-bond geometry to one C(42,43,44,45); one C(8); and one H(18,19,20,21) atom. The C(35,37,38)-H(18,19,20,21) bond length is 1.09 Å. In the twentieth C site, C(31,33,34) is bonded in a distorted trigonal planar geometry to one C(27,28,29,30); one C(8); and one H(14,15,16,17) atom. The C(31,33,34)-H(14,15,16,17) bond length is 1.09 Å. In the twenty-first C site, C(32) is bonded in a distorted trigonal planar geometry to one C(27,28,29,30); one C(9,10,11); and one H(14,15,16,17) atom. The C(32)-C(27,28,29,30) bond length is 1.39 Å. The C(32)-H(14,15,16,17) bond length is 1.09 Å. In the twenty-second C site, C(1,2) is bonded in a single-bond geometry to two equivalent C(4,5,6,7) and one H(3,4,5) atom. The C(1,2)-H(3,4,5) bond length is 1.09 Å. In the twenty-third C site, C(36) is bonded in a distorted single-bond geometry to one C(42,43,44,45); one C(9,10,11); and one H(18,19,20,21) atom. The C(36)-C(42,43,44,45) bond length is 1.39 Å. The C(36)-H(18,19,20,21) bond length is 1.09 Å. In the twenty-fourth C site, C(3) is bonded in a single-bond geometry to two equivalent C(4,5,6,7) and one H(3,4,5) atom. Both C(3)-C(4,5,6,7) bond lengths are 1.40 Å. The C(3)-H(3,4,5) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(46), and one C(48) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2) and two equivalent C(47,49) atoms. There are nine inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one O(13) atom. The H(1,2)-O(13) bond length is 0.97 Å. In the second H site, H(3,4,5) is bonded in a single-bond geometry to one C(1,2) atom. In the third H site, H(6,7,8,9) is bonded in a single-bond geometry to one C(23,24,26) atom. In the fourth H site, H(10,11,12,13) is bonded in a single-bond geometry to one C(27,28,29,30) atom. In the fifth H site, H(14,15,16,17) is bonded in a single-bond geometry to one C(31,33,34) atom. In the sixth H site, H(18,19,20,21) is bonded in a single-bond geometry to one C(35,37,38) atom. In the seventh H site, H(26,27,28,29) is bonded in a single-bond geometry to one C(46) atom. In the eighth H site, H(22,24,25) is bonded in a single-bond geometry to one C(42,43,44,45) atom. In the ninth H site, H(23) is bonded in a single-bond geometry to one C(42,43,44,45) atom. The H(23)-C(42,43,44,45) bond length is 1.09 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(16,18,19) atom. In the second O site, O(6,8) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(17) atom. In the third O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(16,18,19) atom. The O(7)-C(16,18,19) bond length is 1.28 Å. In the fourth O site, O(9,10,11,12) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(39,40) atom. In the fifth O site, O(13) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent H(1,2) atoms. In the sixth O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(16,18,19) atom. In the seventh O site, O(2,4) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(17) atom. In the eighth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(16,18,19) atom. The O(3)-C(16,18,19) bond length is 1.28 Å. Linkers: 8 [O]C(=O)c1ccc(-c2cc(C([O])=O)cc(-c3ccc(C([O])=O)cc3)c2)cc1 ,4 c1cnccn1. Metal clusters: 4 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4 ,2 O.O.[C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: iab. The MOF has largest included sphere 11.43 A, density 0.57 g/cm3, surface area 4427.86 m2/g, accessible volume 1.20 cm3/g