CuH8(C2N)4(CuC66H54(NO3)4)2 is Indium-like structured and crystallizes in the orthorhombic Ibam space group. The structure is zero-dimensional and consists of eight CuC66H54(NO3)4 clusters and four CuH8(C2N)4 clusters. In each CuC66H54(NO3)4 cluster, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. Both Cu(2)-N(2) bond lengths are 2.03 Å. Both Cu(2)-N(3) bond lengths are 2.00 Å. There are thirty-three inequivalent C sites. In the first C site, C(3) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(3)-C(5) bond length is 1.34 Å. The C(3)-H(3) bond length is 0.93 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(4)-C(5) bond length is 1.36 Å. The C(4)-H(4) bond length is 0.93 Å. In the third C site, C(5) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(6) atom. The C(5)-C(6) bond length is 1.50 Å. In the fourth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.16 Å. The C(6)-O(2) bond length is 1.34 Å. In the fifth C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(5), one H(6), and one O(2) atom. The C(7)-C(8) bond length is 1.52 Å. The C(7)-H(5) bond length is 0.97 Å. The C(7)-H(6) bond length is 0.97 Å. The C(7)-O(2) bond length is 1.44 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(7), and one C(9) atom. The C(8)-C(10) bond length is 1.34 Å. The C(8)-C(9) bond length is 1.37 Å. In the seventh C site, C(9) is bonded in a distorted single-bond geometry to one C(11), one C(8), and one H(7) atom. The C(9)-C(11) bond length is 1.34 Å. The C(9)-H(7) bond length is 0.93 Å. In the eighth C site, C(10) is bonded in a distorted single-bond geometry to one C(12), one C(8), and one H(8) atom. The C(10)-C(12) bond length is 1.31 Å. The C(10)-H(8) bond length is 0.93 Å. In the ninth C site, C(11) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(9) atom. The C(11)-C(13) bond length is 1.52 Å. The C(11)-C(14) bond length is 1.38 Å. In the tenth C site, C(12) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(15) atom. The C(12)-C(14) bond length is 1.41 Å. The C(12)-C(15) bond length is 1.58 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(11), one H(10), one H(9), and one O(3) atom. The C(13)-H(10) bond length is 0.97 Å. The C(13)-H(9) bond length is 0.97 Å. The C(13)-O(3) bond length is 1.47 Å. In the twelfth C site, C(14) is bonded in a distorted single-bond geometry to one C(11), one C(12), and one H(11) atom. The C(14)-H(11) bond length is 0.93 Å. In the thirteenth C site, C(15) is bonded in a distorted trigonal non-coplanar geometry to one C(12); two equivalent H(12,13); and one O(4) atom. Both C(15)-H(12,13) bond lengths are 0.97 Å. The C(15)-O(4) bond length is 1.52 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(3), and one O(5) atom. The C(16)-C(18) bond length is 1.45 Å. The C(16)-O(3) bond length is 1.31 Å. The C(16)-O(5) bond length is 1.17 Å. In the fifteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(4), and one O(6) atom. The C(17)-C(19) bond length is 1.54 Å. The C(17)-O(4) bond length is 1.28 Å. The C(17)-O(6) bond length is 1.24 Å. In the sixteenth C site, C(18) is bonded in a 5-coordinate geometry to one C(16), one C(20), one C(21), one C(29), and one C(30) atom. The C(18)-C(20) bond length is 1.21 Å. The C(18)-C(21) bond length is 1.41 Å. The C(18)-C(29) bond length is 1.44 Å. The C(18)-C(30) bond length is 1.40 Å. In the seventeenth C site, C(19) is bonded in a 4-coordinate geometry to one C(17), one C(23), one C(33), and one C(34) atom. The C(19)-C(23) bond length is 1.43 Å. The C(19)-C(33) bond length is 1.11 Å. The C(19)-C(34) bond length is 1.43 Å. In the eighteenth C site, C(20) is bonded in a 4-coordinate geometry to one C(18), one C(24), one C(29), and one H(14) atom. The C(20)-C(24) bond length is 1.30 Å. The C(20)-C(29) bond length is 1.11 Å. The C(20)-H(14) bond length is 0.93 Å. In the nineteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(18) and one H(15) atom. The C(21)-H(15) bond length is 0.93 Å. In the twentieth C site, C(22) is bonded in a water-like geometry to one C(33) and one H(16) atom. The C(22)-C(33) bond length is 0.82 Å. The C(22)-H(16) bond length is 0.93 Å. In the twenty-first C site, C(23) is bonded in a distorted single-bond geometry to one C(19) and one H(17) atom. The C(23)-H(17) bond length is 0.93 Å. In the twenty-second C site, C(24) is bonded in a 4-coordinate geometry to one C(20), one C(28), one N(2), and one H(18) atom. The C(24)-C(28) bond length is 1.11 Å. The C(24)-N(2) bond length is 1.46 Å. The C(24)-H(18) bond length is 0.93 Å. In the twenty-third C site, C(25) is bonded in a 2-coordinate geometry to one N(2) and one H(19) atom. The C(25)-N(2) bond length is 1.47 Å. The C(25)-H(19) bond length is 0.93 Å. In the twenty-fourth C site, C(26) is bonded in a 3-coordinate geometry to one C(32), one N(3), and one H(20) atom. The C(26)-C(32) bond length is 0.98 Å. The C(26)-N(3) bond length is 1.23 Å. The C(26)-H(20) bond length is 0.93 Å. In the twenty-fifth C site, C(27) is bonded in a 2-coordinate geometry to one N(3) and one H(21) atom. The C(27)-N(3) bond length is 1.43 Å. The C(27)-H(21) bond length is 0.93 Å. In the twenty-sixth C site, C(28) is bonded in a 2-coordinate geometry to one C(24), one N(2), and one H(22) atom. The C(28)-N(2) bond length is 1.21 Å. The C(28)-H(22) bond length is 0.93 Å. In the twenty-seventh C site, C(29) is bonded in a 1-coordinate geometry to one C(18), one C(20), and one H(23) atom. The C(29)-H(23) bond length is 0.93 Å. In the twenty-eighth C site, C(30) is bonded in a distorted single-bond geometry to one C(18) and one H(24) atom. The C(30)-H(24) bond length is 0.93 Å. In the twenty-ninth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(25) atom. The C(31)-N(2) bond length is 1.39 Å. The C(31)-H(25) bond length is 0.93 Å. In the thirtieth C site, C(32) is bonded in a 2-coordinate geometry to one C(26), one N(3), and one H(26) atom. The C(32)-N(3) bond length is 1.49 Å. The C(32)-H(26) bond length is 0.93 Å. In the thirty-first C site, C(33) is bonded in a 2-coordinate geometry to one C(19), one C(22), and one H(27) atom. The C(33)-H(27) bond length is 0.93 Å. In the thirty-second C site, C(34) is bonded in a distorted single-bond geometry to one C(19) and one H(28) atom. The C(34)-H(28) bond length is 0.93 Å. In the thirty-third C site, C(35) is bonded in a 2-coordinate geometry to one N(3) and one H(29) atom. The C(35)-N(3) bond length is 1.48 Å. The C(35)-H(29) bond length is 0.93 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 5-coordinate geometry to one Cu(2), one C(24), one C(25), one C(28), and one C(31) atom. In the second N site, N(3) is bonded in a 5-coordinate geometry to one Cu(2), one C(26), one C(27), one C(32), and one C(35) atom. There are twenty-six inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(12,13) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(22) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(23) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(24) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(25) atom. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one C(26) atom. In the eighteenth H site, H(21) is bonded in a single-bond geometry to one C(27) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(28) atom. In the twentieth H site, H(23) is bonded in a single-bond geometry to one C(29) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one C(30) atom. In the twenty-second H site, H(25) is bonded in a single-bond geometry to one C(31) atom. In the twenty-third H site, H(26) is bonded in a single-bond geometry to one C(32) atom. In the twenty-fourth H site, H(27) is bonded in a single-bond geometry to one C(33) atom. In the twenty-fifth H site, H(28) is bonded in a single-bond geometry to one C(34) atom. In the twenty-sixth H site, H(29) is bonded in a single-bond geometry to one C(35) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(6) and one C(7) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one C(13) and one C(16) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one C(15) and one C(17) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(16) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(17) atom. In each CuH8(C2N)4 cluster, Cu(1) is bonded in a square co-planar geometry to four equivalent N(1) atoms. All Cu(1)-N(1) bond lengths are 2.05 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(2) atom. The C(2)-N(1) bond length is 1.33 Å. The C(2)-H(2) bond length is 0.93 Å. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. Linkers: 5 [C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[N@]5([C@H]1[C@H]35)[C@H]24.[C][C@@H]1[CH][C@@H]([CH]1)[N@@]1[C@H]2[C@@H]1[CH][CH]2.O=[C]OCc1cc(COC(=O)c2ccncc2)cc(c1)CO[C]=O ,3 [C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[N@]5([C@H]1[C@H]35)[C@H]24.[C]C([CH][CH]N1[C@@H]2[C@H]1[CH][CH]2)[CH].O=[C]OCc1cc(COC(=O)c2ccncc2)cc(c1)CO[C]=O ,1 [C@@H]12[C@@H]3[C@@]42[C@H]2[C@@H]4[C@H]4[N@]5([C@H]1[C@H]35)[C@@H]24.O=[C]OCc1cc(COC(=O)c2ccncc2)cc(c1)COC(=O)[C@]12[C@H]([CH])[CH][CH][N@@]3[C@@H]4[C@H]1[C@H]2[C@H]34 ,4 [C@@H]12[C@@H]3[C@@]42[C@H]2[C@@H]4[C@H]4[N@]5([C@H]1[C@H]35)[C@@H]24.[C][C@@H]1[CH][C@@H]([CH]1)[N@@]1[C@H]2[C@@H]1[CH][CH]2.O=[C]OCc1cc(COC(=O)c2ccncc2)cc(c1)CO[C]=O ,3 [C@@H]12[C@@H]3[C@@]42[C@H]2[C@@H]4[C@H]4[N@]5([C@H]1[C@H]35)[C@@H]24.[C]C([CH][CH]N1[C@@H]2[C@H]1[CH][CH]2)[CH].O=[C]OCc1cc(COC(=O)c2ccncc2)cc(c1)CO[C]=O. Metal clusters: 12 [Cu]. The MOF has largest included sphere 9.03 A, density 0.96 g/cm3, surface area 4430.36 m2/g, accessible volume 0.63 cm3/g