Cu3C30H12(N5O6)2 is Copper structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two Cu3C30H12(N5O6)2 clusters. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(11) and two equivalent O(2) atoms. Both Cu(1)-O(11) bond lengths are 1.95 Å. Both Cu(1)-O(2) bond lengths are 1.95 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(6), one O(7), and one O(8) atom. The Cu(2)-O(1) bond length is 1.94 Å. The Cu(2)-O(6) bond length is 1.97 Å. The Cu(2)-O(7) bond length is 1.96 Å. The Cu(2)-O(8) bond length is 1.93 Å. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(5), and one O(9) atom. The Cu(3)-O(12) bond length is 1.99 Å. The Cu(3)-O(3) bond length is 1.95 Å. The Cu(3)-O(5) bond length is 1.96 Å. The Cu(3)-O(9) bond length is 1.96 Å. In the fourth Cu site, Cu(4) is bonded in a distorted square co-planar geometry to two equivalent O(10) and two equivalent O(4) atoms. Both Cu(4)-O(10) bond lengths are 1.97 Å. Both Cu(4)-O(4) bond lengths are 1.91 Å. There are thirty inequivalent C sites. In the first C site, C(13) is bonded in a distorted single-bond geometry to one C(15), one C(2), and one H(10) atom. The C(13)-C(15) bond length is 1.38 Å. The C(13)-C(2) bond length is 1.41 Å. The C(13)-H(10) bond length is 0.93 Å. In the second C site, C(15) is bonded in a trigonal planar geometry to one C(1), one C(11), and one C(13) atom. The C(15)-C(1) bond length is 1.51 Å. The C(15)-C(11) bond length is 1.38 Å. In the third C site, C(14) is bonded in a bent 120 degrees geometry to one C(17), one O(1), and one O(3) atom. The C(14)-C(17) bond length is 1.49 Å. The C(14)-O(1) bond length is 1.26 Å. The C(14)-O(3) bond length is 1.28 Å. In the fourth C site, C(16) is bonded in a single-bond geometry to one N(2) atom. The C(16)-N(2) bond length is 1.41 Å. In the fifth C site, C(17) is bonded in a trigonal planar geometry to one C(14), one C(3), and one C(9) atom. The C(17)-C(3) bond length is 1.36 Å. The C(17)-C(9) bond length is 1.35 Å. In the sixth C site, C(18) is bonded in a distorted single-bond geometry to one C(30) and one H(4) atom. The C(18)-C(30) bond length is 1.36 Å. The C(18)-H(4) bond length is 0.93 Å. In the seventh C site, C(19) is bonded in a bent 120 degrees geometry to one C(20), one O(6), and one O(9) atom. The C(19)-C(20) bond length is 1.51 Å. The C(19)-O(6) bond length is 1.30 Å. The C(19)-O(9) bond length is 1.25 Å. In the eighth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(26), and one C(3) atom. The C(20)-C(26) bond length is 1.38 Å. The C(20)-C(3) bond length is 1.33 Å. In the ninth C site, C(21) is bonded in a trigonal planar geometry to one N(3), one N(6), and one N(8) atom. The C(21)-N(3) bond length is 1.30 Å. The C(21)-N(6) bond length is 1.40 Å. The C(21)-N(8) bond length is 1.39 Å. In the tenth C site, C(22) is bonded in a distorted single-bond geometry to one C(30), one C(7), and one H(6) atom. The C(22)-C(30) bond length is 1.40 Å. The C(22)-C(7) bond length is 1.34 Å. The C(22)-H(6) bond length is 0.93 Å. In the eleventh C site, C(23) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(9) atom. The C(23)-N(1) bond length is 1.39 Å. The C(23)-N(4) bond length is 1.33 Å. The C(23)-N(9) bond length is 1.35 Å. In the twelfth C site, C(24) is bonded in a trigonal planar geometry to one N(1), one N(5), and one N(7) atom. The C(24)-N(1) bond length is 1.32 Å. The C(24)-N(5) bond length is 1.31 Å. The C(24)-N(7) bond length is 1.40 Å. In the thirteenth C site, C(25) is bonded in a trigonal planar geometry to one N(7), one N(8), and one N(9) atom. The C(25)-N(7) bond length is 1.43 Å. The C(25)-N(8) bond length is 1.29 Å. The C(25)-N(9) bond length is 1.26 Å. In the fourteenth C site, C(26) is bonded in a distorted single-bond geometry to one C(20) and one H(12) atom. The C(26)-H(12) bond length is 0.93 Å. In the fifteenth C site, C(27) is bonded in a bent 120 degrees geometry to one C(7), one O(12), and one O(8) atom. The C(27)-C(7) bond length is 1.51 Å. The C(27)-O(12) bond length is 1.33 Å. The C(27)-O(8) bond length is 1.17 Å. In the sixteenth C site, C(28) is bonded in a distorted single-bond geometry to one C(7) and one H(3) atom. The C(28)-C(7) bond length is 1.38 Å. The C(28)-H(3) bond length is 0.93 Å. In the seventeenth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(11), one C(5), and one N(3) atom. The C(29)-C(11) bond length is 1.38 Å. The C(29)-C(5) bond length is 1.38 Å. The C(29)-N(3) bond length is 1.35 Å. In the eighteenth C site, C(30) is bonded in a trigonal planar geometry to one C(18), one C(22), and one C(4) atom. The C(30)-C(4) bond length is 1.50 Å. In the nineteenth C site, C(1) is bonded in a bent 120 degrees geometry to one C(15), one O(5), and one O(7) atom. The C(1)-O(5) bond length is 1.31 Å. The C(1)-O(7) bond length is 1.22 Å. In the twentieth C site, C(2) is bonded in a trigonal planar geometry to one C(13), one C(5), and one C(8) atom. The C(2)-C(5) bond length is 1.42 Å. The C(2)-C(8) bond length is 1.46 Å. In the twenty-first C site, C(3) is bonded in a distorted single-bond geometry to one C(17), one C(20), and one H(9) atom. The C(3)-H(9) bond length is 0.93 Å. In the twenty-second C site, C(4) is bonded in a bent 120 degrees geometry to one C(30), one O(10), and one O(11) atom. The C(4)-O(10) bond length is 1.23 Å. The C(4)-O(11) bond length is 1.25 Å. In the twenty-third C site, C(5) is bonded in a single-bond geometry to one C(2), one C(29), and one H(8) atom. The C(5)-H(8) bond length is 0.93 Å. In the twenty-fourth C site, C(6) is bonded in a trigonal planar geometry to one N(10), one N(6), and one N(7) atom. The C(6)-N(10) bond length is 1.29 Å. The C(6)-N(6) bond length is 1.27 Å. The C(6)-N(7) bond length is 1.47 Å. In the twenty-fifth C site, C(7) is bonded in a trigonal planar geometry to one C(22), one C(27), and one C(28) atom. In the twenty-sixth C site, C(8) is bonded in a bent 120 degrees geometry to one C(2), one O(2), and one O(4) atom. The C(8)-O(2) bond length is 1.31 Å. The C(8)-O(4) bond length is 1.24 Å. In the twenty-seventh C site, C(9) is bonded in a distorted single-bond geometry to one C(17) and one H(2) atom. The C(9)-H(2) bond length is 0.93 Å. In the twenty-eighth C site, C(10) is bonded in a distorted single-bond geometry to one N(4) atom. The C(10)-N(4) bond length is 1.43 Å. In the twenty-ninth C site, C(11) is bonded in a distorted single-bond geometry to one C(15), one C(29), and one H(7) atom. The C(11)-H(7) bond length is 0.93 Å. In the thirtieth C site, C(12) is bonded in a trigonal planar geometry to one N(10), one N(2), and one N(5) atom. The C(12)-N(10) bond length is 1.39 Å. The C(12)-N(2) bond length is 1.35 Å. The C(12)-N(5) bond length is 1.41 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(23) and one C(24) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(12), one C(16), and one H(5) atom. The N(2)-H(5) bond length is 0.86 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(21), one C(29), and one H(1) atom. The N(3)-H(1) bond length is 0.86 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(23), and one H(11) atom. The N(4)-H(11) bond length is 0.86 Å. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one C(12) and one C(24) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(21) and one C(6) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one C(24), one C(25), and one C(6) atom. In the eighth N site, N(8) is bonded in a bent 120 degrees geometry to one C(21) and one C(25) atom. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one C(23) and one C(25) atom. In the tenth N site, N(10) is bonded in a bent 120 degrees geometry to one C(12) and one C(6) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(28) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(18) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(22) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(4) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(26) atom. There are twelve inequivalent O sites. In the first O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(4) atom. In the second O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(4) atom. In the third O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(27) atom. In the fourth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(27) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(3) and one C(1) atom. In the sixth O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1) and one C(8) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(19) atom. In the ninth O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(14) atom. In the tenth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(14) atom. In the eleventh O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(19) atom. In the twelfth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(8) atom. Linkers: 1 [O]C(=O)c1cc(NC2=NC3=NC(=[N]=C4N3C(=[N]=C([N]4)Nc3cc(cc(c3)C(=O)[O])C(=O)[O])[N]2)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])cc(c1)C(=O)[O] ,2 [O]C(=O)c1cc(NC2=NC3=[N]=C([N]C4=[N]=C([N]C(=N2)N34)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])Nc2cc(cc(c2)C(=O)[O])C(=O)[O])cc(c1)C(=O)[O] ,1 [O]C(=O)c1cc(NC2=NC3=[N]=C([N]C4=[N]=C(N=C([N]2)N34)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])Nc2cc(cc(c2)C(=O)[O])C(=O)[O])cc(c1)C(=O)[O] ,1 [O]C(=O)c1cc(NC2=NC3=[N]=C([N]C4=NC(=[N]=C([N]2)N34)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])Nc2cc(cc(c2)C(=O)[O])C(=O)[O])cc(c1)C(=O)[O] ,1 [O]C(=O)c1cc(NC2=NC3=NC(=[N]=C4N3C(=NC(=N4)Nc3cc(cc(c3)C(=O)[O])C(=O)[O])[N]2)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])cc(c1)C(=O)[O] ,1 [O]C(=O)c1cc(NC2=NC3=[N]=C(N=C4N3C(=[N]=C(Nc3cc(cc(c3)C(=O)[O])C(=O)[O])[N]4)[N]2)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])cc(c1)C(=O)[O] ,1 [O]C(=O)c1cc(cc(c1)C(=O)[O])NC1=[N]=C2N3C(=[N]=C(Nc4cc(cc(c4)C(=O)[O])C(=O)[O])[N]C3=[N]=C([N]2)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])[N]1. Metal clusters: 12 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. The MOF has largest included sphere 17.07 A, density 0.73 g/cm3, surface area 3565.40 m2/g, accessible volume 1.03 cm3/g