Cu19H52(C18N13)6(CH)8 crystallizes in the tetragonal P4_2/n space group. The structure consists of sixteen 02329_fluka molecules inside a Cu19H52(C18N13)6 framework. In the Cu19H52(C18N13)6 framework, there are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one N(1), one N(13), one N(15), one N(2), and one N(7) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(13) bond length is 1.98 Å. The Cu(1)-N(15) bond length is 2.51 Å. The Cu(1)-N(2) bond length is 2.00 Å. The Cu(1)-N(7) bond length is 1.99 Å. In the second Cu site, Cu(2) is bonded in a distorted tetrahedral geometry to one N(10), one N(3), one N(5), and one N(9) atom. The Cu(2)-N(10) bond length is 2.18 Å. The Cu(2)-N(3) bond length is 1.97 Å. The Cu(2)-N(5) bond length is 2.12 Å. The Cu(2)-N(9) bond length is 1.95 Å. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one C(1), one C(28), and one C(29) atom. The Cu(3)-C(1) bond length is 1.91 Å. The Cu(3)-C(28) bond length is 1.91 Å. The Cu(3)-C(29) bond length is 1.94 Å. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal pyramidal geometry to one N(11), one N(16), one N(18), and one N(19) atom. The Cu(4)-N(11) bond length is 2.31 Å. The Cu(4)-N(16) bond length is 2.45 Å. The Cu(4)-N(18) bond length is 1.92 Å. The Cu(4)-N(19) bond length is 1.90 Å. In the fifth Cu site, Cu(5) is bonded in a distorted octahedral geometry to two equivalent N(20) and four equivalent N(12) atoms. Both Cu(5)-N(20) bond lengths are 1.97 Å. All Cu(5)-N(12) bond lengths are 2.14 Å. In the sixth Cu site, Cu(6) is bonded in a linear geometry to two equivalent N(17) atoms. Both Cu(6)-N(17) bond lengths are 1.85 Å. There are twenty-seven inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cu(3) and one N(19) atom. The C(1)-N(19) bond length is 1.11 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(13), one C(3), and one N(1) atom. The C(2)-C(13) bond length is 1.46 Å. The C(2)-C(3) bond length is 1.38 Å. The C(2)-N(1) bond length is 1.33 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(2) atom. The C(3)-H(2) bond length is 0.93 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one H(4) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(4) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one N(1) atom. The C(6)-C(7) bond length is 1.46 Å. The C(6)-N(1) bond length is 1.34 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one N(2), and one N(4) atom. The C(7)-N(2) bond length is 1.36 Å. The C(7)-N(4) bond length is 1.33 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(9), one N(3), and one N(4) atom. The C(8)-C(9) bond length is 1.46 Å. The C(8)-N(3) bond length is 1.34 Å. The C(8)-N(4) bond length is 1.35 Å. In the eighth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one N(6), and one H(6) atom. The C(11)-C(12) bond length is 1.38 Å. The C(11)-N(6) bond length is 1.33 Å. The C(11)-H(6) bond length is 0.93 Å. In the ninth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(18), and one N(10) atom. The C(15)-C(14) bond length is 1.45 Å. The C(15)-C(18) bond length is 1.39 Å. The C(15)-N(10) bond length is 1.35 Å. In the tenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(17), one N(10), and one H(8) atom. The C(16)-C(17) bond length is 1.37 Å. The C(16)-N(10) bond length is 1.34 Å. The C(16)-H(8) bond length is 0.93 Å. In the eleventh C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(11), and one H(9) atom. The C(17)-N(11) bond length is 1.33 Å. The C(17)-H(9) bond length is 0.93 Å. In the twelfth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(11), and one H(10) atom. The C(18)-N(11) bond length is 1.33 Å. The C(18)-H(10) bond length is 0.93 Å. In the thirteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one N(20) atom. The C(19)-C(20) bond length is 1.36 Å. The C(19)-C(22) bond length is 1.46 Å. The C(19)-N(20) bond length is 1.34 Å. In the fourteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(19) and one H(11) atom. The C(20)-H(11) bond length is 0.98 Å. In the fifteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(19), one N(12), and one N(14) atom. The C(22)-N(12) bond length is 1.33 Å. The C(22)-N(14) bond length is 1.34 Å. In the sixteenth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(24), one N(13), and one N(14) atom. The C(23)-C(24) bond length is 1.45 Å. The C(23)-N(13) bond length is 1.35 Å. The C(23)-N(14) bond length is 1.35 Å. In the seventeenth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(23), one C(25), and one N(15) atom. The C(24)-C(25) bond length is 1.38 Å. The C(24)-N(15) bond length is 1.34 Å. In the eighteenth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(16), and one H(13) atom. The C(25)-N(16) bond length is 1.33 Å. The C(25)-H(13) bond length is 0.93 Å. In the nineteenth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(27), one N(16), and one H(14) atom. The C(26)-C(27) bond length is 1.37 Å. The C(26)-N(16) bond length is 1.33 Å. The C(26)-H(14) bond length is 0.93 Å. In the twentieth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(26), one N(15), and one H(15) atom. The C(27)-N(15) bond length is 1.33 Å. The C(27)-H(15) bond length is 0.93 Å. In the twenty-first C site, C(28) is bonded in a linear geometry to one Cu(3) and one N(17) atom. The C(28)-N(17) bond length is 1.14 Å. In the twenty-second C site, C(29) is bonded in a distorted linear geometry to one Cu(3) and one N(18) atom. The C(29)-N(18) bond length is 1.10 Å. In the twenty-third C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one N(5) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-N(5) bond length is 1.35 Å. In the twenty-fourth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(6), and one H(5) atom. The C(10)-N(6) bond length is 1.32 Å. The C(10)-H(5) bond length is 0.93 Å. In the twenty-fifth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(5), and one H(7) atom. The C(12)-N(5) bond length is 1.34 Å. The C(12)-H(7) bond length is 0.93 Å. In the twenty-sixth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(2), one N(7), and one N(8) atom. The C(13)-N(7) bond length is 1.35 Å. The C(13)-N(8) bond length is 1.33 Å. In the twenty-seventh C site, C(14) is bonded in a distorted trigonal planar geometry to one C(15), one N(8), and one N(9) atom. The C(14)-N(8) bond length is 1.36 Å. The C(14)-N(9) bond length is 1.34 Å. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(6) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cu(1), one C(7), and one N(3) atom. The N(2)-N(3) bond length is 1.34 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Cu(2), one C(8), and one N(2) atom. In the fourth N site, N(4) is bonded in a water-like geometry to one C(7) and one C(8) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(12), and one C(9) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(10) and one C(11) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Cu(1), one C(13), and one N(9) atom. The N(7)-N(9) bond length is 1.34 Å. In the eighth N site, N(8) is bonded in a water-like geometry to one C(13) and one C(14) atom. In the ninth N site, N(9) is bonded in a 3-coordinate geometry to one Cu(2), one C(14), and one N(7) atom. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(15), and one C(16) atom. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Cu(4), one C(17), and one C(18) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Cu(5), one C(22), and one N(13) atom. The N(12)-N(13) bond length is 1.34 Å. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Cu(1), one C(23), and one N(12) atom. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one C(22), one C(23), and one H(1) atom. The N(14)-H(1) bond length is 0.86 Å. In the fifteenth N site, N(15) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one C(24), and one C(27) atom. In the sixteenth N site, N(16) is bonded in a distorted bent 120 degrees geometry to one Cu(4), one C(25), and one C(26) atom. In the seventeenth N site, N(17) is bonded in a linear geometry to one Cu(6) and one C(28) atom. In the eighteenth N site, N(18) is bonded in a linear geometry to one Cu(4) and one C(29) atom. In the nineteenth N site, N(19) is bonded in a linear geometry to one Cu(4) and one C(1) atom. In the twentieth N site, N(20) is bonded in a trigonal planar geometry to one Cu(5) and two equivalent C(19) atoms. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(14) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(25) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(26) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(27) atom. Linkers: 4 c1cc(C2=NN=C(c3cnccn3)[N]2)nc(C2=NN=C(c3cnccn3)[N]2)c1 ,2 c1cc(C2=NN=C(c3cnccn3)[N]2)nc(C2=N[N]C(c3cnccn3)=N2)c1 ,4 c1cnc(-c2nnc([C]3N=C(c4nnc(-c5cnccn5)[nH]4)[C@H]4[C@H]5[C@@H]3[C@@H]45)[nH]2)cn1 ,2 c1cc(nc(c1)C1=[N]=C(N=N1)c1nccnc1)C1=[N]=C(N=N1)c1nccnc1. Metal clusters: 2 [N]1/N=[Cu]2[N][N][Cu]/N=N\[Cu]3=N\[N][Cu][N]/N=[Cu]4[N][N][Cu]/N=N\[Cu](=N\[N][Cu]1)\N=N/[Cu](\N=N/4)(\N=N/2)\N=N/3 ,20 [Cu]. The MOF has largest included sphere 4.52 A, density 1.90 g/cm3, surface area 3607.19 m2/g, accessible volume 0.16 cm3/g