Cu6H8(C2N)7 crystallizes in the monoclinic C2 space group. The structure consists of a Cu6H8(C2N)7 framework. There are twelve inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal planar geometry to one C(11), one N(14), and one N(2) atom. The Cu(1)-C(11) bond length is 1.88 Å. The Cu(1)-N(14) bond length is 2.00 Å. The Cu(1)-N(2) bond length is 1.99 Å. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one C(12), one C(5), and one H(16) atom. The Cu(2)-C(12) bond length is 1.85 Å. The Cu(2)-C(5) bond length is 1.85 Å. The Cu(2)-H(16) bond length is 2.04 Å. In the third Cu site, Cu(3) is bonded in a linear geometry to one C(13) and one C(6) atom. The Cu(3)-C(13) bond length is 1.84 Å. The Cu(3)-C(6) bond length is 1.84 Å. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one C(14) and one C(7) atom. The Cu(4)-C(14) bond length is 1.85 Å. The Cu(4)-C(7) bond length is 1.85 Å. In the fifth Cu site, Cu(5) is bonded in a distorted trigonal planar geometry to one C(10), one C(15), and one C(8) atom. The Cu(5)-C(10) bond length is 1.92 Å. The Cu(5)-C(15) bond length is 1.99 Å. The Cu(5)-C(8) bond length is 1.93 Å. In the sixth Cu site, Cu(6) is bonded in a trigonal planar geometry to one C(17), one C(9), and one N(10) atom. The Cu(6)-C(17) bond length is 1.91 Å. The Cu(6)-C(9) bond length is 1.90 Å. The Cu(6)-N(10) bond length is 1.96 Å. In the seventh Cu site, Cu(7) is bonded in a trigonal planar geometry to one C(24), one N(12), and one N(4) atom. The Cu(7)-C(24) bond length is 1.88 Å. The Cu(7)-N(12) bond length is 1.99 Å. The Cu(7)-N(4) bond length is 2.00 Å. In the eighth Cu site, Cu(8) is bonded in a distorted T-shaped geometry to one C(25), one N(5), and one H(8) atom. The Cu(8)-C(25) bond length is 1.85 Å. The Cu(8)-N(5) bond length is 1.85 Å. The Cu(8)-H(8) bond length is 2.04 Å. In the ninth Cu site, Cu(9) is bonded in a linear geometry to one N(6) and one N(9) atom. The Cu(9)-N(6) bond length is 1.84 Å. The Cu(9)-N(9) bond length is 1.84 Å. In the tenth Cu site, Cu(10) is bonded in a linear geometry to one C(22) and one C(26) atom. The Cu(10)-C(22) bond length is 1.85 Å. The Cu(10)-C(26) bond length is 1.85 Å. In the eleventh Cu site, Cu(11) is bonded in a distorted trigonal planar geometry to one C(23), one C(27), and one N(7) atom. The Cu(11)-C(23) bond length is 1.92 Å. The Cu(11)-C(27) bond length is 1.99 Å. The Cu(11)-N(7) bond length is 1.93 Å. In the twelfth Cu site, Cu(12) is bonded in a trigonal planar geometry to one C(16), one C(28), and one N(8) atom. The Cu(12)-C(16) bond length is 1.96 Å. The Cu(12)-C(28) bond length is 1.91 Å. The Cu(12)-N(8) bond length is 1.90 Å. There are twenty-four inequivalent C sites. In the first C site, C(17) is bonded in a linear geometry to one Cu(6) and one C(28) atom. The C(17)-C(28) bond length is 1.15 Å. In the second C site, C(22) is bonded in a linear geometry to one Cu(10) and one N(9) atom. The C(22)-N(9) bond length is 1.15 Å. In the third C site, C(23) is bonded in a linear geometry to one Cu(11) and one N(10) atom. The C(23)-N(10) bond length is 1.14 Å. In the fourth C site, C(24) is bonded in a linear geometry to one Cu(7) and one N(5) atom. The C(24)-N(5) bond length is 1.15 Å. In the fifth C site, C(25) is bonded in a linear geometry to one Cu(8) and one N(6) atom. The C(25)-N(6) bond length is 1.15 Å. In the sixth C site, C(26) is bonded in a linear geometry to one Cu(10) and one N(7) atom. The C(26)-N(7) bond length is 1.15 Å. In the seventh C site, C(27) is bonded in a linear geometry to one Cu(11) and one N(8) atom. The C(27)-N(8) bond length is 1.15 Å. In the eighth C site, C(28) is bonded in a linear geometry to one Cu(12) and one C(17) atom. In the ninth C site, C(1,18) is bonded in a distorted trigonal planar geometry to one C(2,19); one N(1,11); and one N(2) atom. The C(1,18)-C(2,19) bond length is 1.47 Å. The C(1,18)-N(1,11) bond length is 1.36 Å. The C(1,18)-N(2) bond length is 1.31 Å. In the tenth C site, C(2,19) is bonded in a trigonal non-coplanar geometry to one C(1,18); one H(2,10); and two equivalent H(1,3,9,11) atoms. The C(2,19)-H(2,10) bond length is 0.96 Å. Both C(2,19)-H(1,3,9,11) bond lengths are 0.96 Å. In the eleventh C site, C(3,20) is bonded in a distorted trigonal planar geometry to one C(4,21); one N(1,11); and one N(4) atom. The C(3,20)-C(4,21) bond length is 1.48 Å. The C(3,20)-N(1,11) bond length is 1.35 Å. The C(3,20)-N(4) bond length is 1.31 Å. In the twelfth C site, C(4,21) is bonded in a trigonal non-coplanar geometry to one C(3,20); one H(4,12); and two equivalent H(5,6,13,14) atoms. The C(4,21)-H(4,12) bond length is 0.96 Å. Both C(4,21)-H(5,6,13,14) bond lengths are 0.96 Å. In the thirteenth C site, C(5) is bonded in a linear geometry to one Cu(2) and one C(11) atom. The C(5)-C(11) bond length is 1.15 Å. In the fourteenth C site, C(6) is bonded in a linear geometry to one Cu(3) and one C(12) atom. The C(6)-C(12) bond length is 1.15 Å. In the fifteenth C site, C(7) is bonded in a linear geometry to one Cu(4) and one C(13) atom. The C(7)-C(13) bond length is 1.15 Å. In the sixteenth C site, C(8) is bonded in a distorted linear geometry to one Cu(5) and one C(14) atom. The C(8)-C(14) bond length is 1.15 Å. In the seventeenth C site, C(9) is bonded in a linear geometry to one Cu(6) and one C(15) atom. The C(9)-C(15) bond length is 1.15 Å. In the eighteenth C site, C(10) is bonded in a linear geometry to one Cu(5) and one C(16) atom. The C(10)-C(16) bond length is 1.14 Å. In the nineteenth C site, C(11) is bonded in a linear geometry to one Cu(1) and one C(5) atom. In the twentieth C site, C(12) is bonded in a linear geometry to one Cu(2) and one C(6) atom. In the twenty-first C site, C(13) is bonded in a linear geometry to one Cu(3) and one C(7) atom. In the twenty-second C site, C(14) is bonded in a linear geometry to one Cu(4) and one C(8) atom. In the twenty-third C site, C(15) is bonded in a distorted linear geometry to one Cu(5) and one C(9) atom. In the twenty-fourth C site, C(16) is bonded in a linear geometry to one Cu(12) and one C(10) atom. There are thirteen inequivalent N sites. In the first N site, N(12) is bonded in a 3-coordinate geometry to one Cu(7); one C(1,18); and one N(14) atom. The N(12)-C(1,18) bond length is 1.31 Å. The N(12)-N(14) bond length is 1.40 Å. In the second N site, N(13) is bonded in a bent 120 degrees geometry to one N(1,11); one H(16); and one H(7,15) atom. The N(13)-N(1,11) bond length is 1.40 Å. The N(13)-H(16) bond length is 0.86 Å. The N(13)-H(7,15) bond length is 0.86 Å. In the third N site, N(14) is bonded in a 3-coordinate geometry to one Cu(1); one C(3,20); and one N(12) atom. The N(14)-C(3,20) bond length is 1.31 Å. In the fourth N site, N(1,11) is bonded in a distorted water-like geometry to one C(1,18); one C(3,20); and one N(3) atom. The N(1,11)-N(3) bond length is 1.40 Å. In the fifth N site, N(2) is bonded in a 3-coordinate geometry to one Cu(1); one C(1,18); and one N(4) atom. The N(2)-N(4) bond length is 1.40 Å. In the sixth N site, N(3) is bonded in a bent 120 degrees geometry to one N(1,11); one H(7,15); and one H(8) atom. The N(3)-H(7,15) bond length is 0.86 Å. The N(3)-H(8) bond length is 0.86 Å. In the seventh N site, N(4) is bonded in a 3-coordinate geometry to one Cu(7); one C(3,20); and one N(2) atom. In the eighth N site, N(5) is bonded in a linear geometry to one Cu(8) and one C(24) atom. In the ninth N site, N(6) is bonded in a linear geometry to one Cu(9) and one C(25) atom. In the tenth N site, N(7) is bonded in a linear geometry to one Cu(11) and one C(26) atom. In the eleventh N site, N(8) is bonded in a linear geometry to one Cu(12) and one C(27) atom. In the twelfth N site, N(9) is bonded in a linear geometry to one Cu(9) and one C(22) atom. In the thirteenth N site, N(10) is bonded in a linear geometry to one Cu(6) and one C(23) atom. There are seven inequivalent H sites. In the first H site, H(1,3,9,11) is bonded in a single-bond geometry to one C(2,19) atom. In the second H site, H(2,10) is bonded in a single-bond geometry to one C(2,19) atom. In the third H site, H(4,12) is bonded in a single-bond geometry to one C(4,21) atom. In the fourth H site, H(5,6,13,14) is bonded in a single-bond geometry to one C(4,21) atom. In the fifth H site, H(7,15) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one Cu(8) and one N(3) atom. In the seventh H site, H(16) is bonded in a single-bond geometry to one Cu(2) and one N(13) atom. Linkers: 8 Cc1nnc(C)n1N. Metal clusters: 48 [Cu]. The MOF has largest included sphere 4.47 A, density 1.75 g/cm3, surface area 3564.54 m2/g, accessible volume 0.26 cm3/g