Cu10C22N39H42 crystallizes in the monoclinic C2/m space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to one N(1), one N(13), one N(18), and one N(19) atom. The Cu(1)-N(1) bond length is 2.04 Å. The Cu(1)-N(13) bond length is 2.02 Å. The Cu(1)-N(18) bond length is 2.08 Å. The Cu(1)-N(19) bond length is 2.02 Å. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to one N(3), one N(5), and one N(7) atom. The Cu(2)-N(3) bond length is 2.00 Å. The Cu(2)-N(5) bond length is 1.96 Å. The Cu(2)-N(7) bond length is 1.97 Å. In the third Cu site, Cu(3) is bonded in a tetrahedral geometry to one N(11), one N(4), one N(6), and one N(8) atom. The Cu(3)-N(11) bond length is 2.01 Å. The Cu(3)-N(4) bond length is 2.01 Å. The Cu(3)-N(6) bond length is 2.05 Å. The Cu(3)-N(8) bond length is 2.03 Å. In the fourth Cu site, Cu(4) is bonded in a tetrahedral geometry to one N(10), one N(12), one N(14), and one N(17) atom. The Cu(4)-N(10) bond length is 1.98 Å. The Cu(4)-N(12) bond length is 2.06 Å. The Cu(4)-N(14) bond length is 2.01 Å. The Cu(4)-N(17) bond length is 2.05 Å. In the fifth Cu site, Cu(5) is bonded in a trigonal planar geometry to one N(20) and two equivalent N(9) atoms. The Cu(5)-N(20) bond length is 2.03 Å. Both Cu(5)-N(9) bond lengths are 1.97 Å. In the sixth Cu site, Cu(6) is bonded in a distorted tetrahedral geometry to two equivalent N(15) and two equivalent N(16) atoms. Both Cu(6)-N(15) bond lengths are 2.25 Å. Both Cu(6)-N(16) bond lengths are 1.96 Å. There are fourteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(6), one N(11), and one N(20) atom. The C(1)-C(6) bond length is 1.55 Å. The C(1)-N(11) bond length is 1.33 Å. The C(1)-N(20) bond length is 1.34 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(4) atom. The C(2)-C(3) bond length is 1.48 Å. The C(2)-N(1) bond length is 1.34 Å. The C(2)-N(4) bond length is 1.32 Å. In the third C site, C(3) is bonded in a trigonal non-coplanar geometry to one C(2) and three equivalent H(1,2,3) atoms. All C(3)-H(1,2,3) bond lengths are 0.96 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one N(10), and one N(7) atom. The C(4)-C(5) bond length is 1.48 Å. The C(4)-N(10) bond length is 1.34 Å. The C(4)-N(7) bond length is 1.34 Å. In the fifth C site, C(5) is bonded in a trigonal non-coplanar geometry to one C(4); one H(9); and two equivalent H(7,8) atoms. The C(5)-H(9) bond length is 0.96 Å. Both C(5)-H(7,8) bond lengths are 0.96 Å. In the sixth C site, C(6) is bonded in a trigonal non-coplanar geometry to one C(1); one H(10); and two equivalent H(11,12) atoms. The C(6)-H(10) bond length is 0.96 Å. Both C(6)-H(11,12) bond lengths are 0.96 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(8), one N(16), and one N(19) atom. The C(7)-C(8) bond length is 1.48 Å. The C(7)-N(16) bond length is 1.33 Å. The C(7)-N(19) bond length is 1.33 Å. In the eighth C site, C(8) is bonded in a trigonal non-coplanar geometry to one C(7) and three equivalent H(19,20,21) atoms. All C(8)-H(19,20,21) bond lengths are 0.96 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10) and two equivalent N(15) atoms. The C(9)-C(10) bond length is 1.50 Å. Both C(9)-N(15) bond lengths are 1.33 Å. In the tenth C site, C(10) is bonded in a 6-coordinate geometry to one C(9), two equivalent H(16), two equivalent H(17), and two equivalent H(18) atoms. Both C(10)-H(16) bond lengths are 0.96 Å. Both C(10)-H(17) bond lengths are 0.96 Å. Both C(10)-H(18) bond lengths are 0.96 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(12) and two equivalent N(5) atoms. The C(11)-C(12) bond length is 1.48 Å. Both C(11)-N(5) bond lengths are 1.33 Å. In the twelfth C site, C(12) is bonded in a 6-coordinate geometry to one C(11), two equivalent H(4), two equivalent H(5), and two equivalent H(6) atoms. Both C(12)-H(4) bond lengths are 0.96 Å. Both C(12)-H(5) bond lengths are 0.96 Å. Both C(12)-H(6) bond lengths are 0.96 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14) and two equivalent N(13) atoms. The C(13)-C(14) bond length is 1.50 Å. Both C(13)-N(13) bond lengths are 1.32 Å. In the fourteenth C site, C(14) is bonded in a 6-coordinate geometry to one C(13), two equivalent H(13), two equivalent H(14), and two equivalent H(15) atoms. Both C(14)-H(13) bond lengths are 0.96 Å. Both C(14)-H(14) bond lengths are 0.96 Å. Both C(14)-H(15) bond lengths are 0.96 Å. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(2), and one N(2) atom. The N(1)-N(2) bond length is 1.34 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.31 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(2), and one N(4) atom. The N(3)-N(4) bond length is 1.35 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Cu(3), one C(2), and one N(3) atom. In the fifth N site, N(11) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(1), and one N(11) atom. The N(11)-N(11) bond length is 1.35 Å. In the sixth N site, N(12) is bonded in a distorted trigonal planar geometry to one Cu(4), one N(12), and one N(13) atom. The N(12)-N(12) bond length is 1.31 Å. The N(12)-N(13) bond length is 1.34 Å. In the seventh N site, N(13) is bonded in a 3-coordinate geometry to one Cu(1), one C(13), and one N(12) atom. In the eighth N site, N(14) is bonded in a trigonal planar geometry to one Cu(4), one N(14), and one N(15) atom. The N(14)-N(14) bond length is 1.31 Å. The N(14)-N(15) bond length is 1.35 Å. In the ninth N site, N(15) is bonded in a distorted trigonal non-coplanar geometry to one Cu(6), one C(9), and one N(14) atom. In the tenth N site, N(16) is bonded in a distorted trigonal planar geometry to one Cu(6), one C(7), and one N(17) atom. The N(16)-N(17) bond length is 1.34 Å. In the eleventh N site, N(17) is bonded in a trigonal planar geometry to one Cu(4), one N(16), and one N(18) atom. The N(17)-N(18) bond length is 1.31 Å. In the twelfth N site, N(18) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(17), and one N(19) atom. The N(18)-N(19) bond length is 1.34 Å. In the thirteenth N site, N(19) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(7), and one N(18) atom. In the fourteenth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(11), and one N(6) atom. The N(5)-N(6) bond length is 1.34 Å. In the fifteenth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one N(5), and one N(6) atom. The N(6)-N(6) bond length is 1.30 Å. In the sixteenth N site, N(7) is bonded in a 3-coordinate geometry to one Cu(2), one C(4), and one N(8) atom. The N(7)-N(8) bond length is 1.35 Å. In the seventeenth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(3), one N(7), and one N(9) atom. The N(8)-N(9) bond length is 1.31 Å. In the eighteenth N site, N(20) is bonded in a trigonal planar geometry to one Cu(5) and two equivalent C(1) atoms. In the nineteenth N site, N(9) is bonded in a trigonal planar geometry to one Cu(5), one N(10), and one N(8) atom. The N(9)-N(10) bond length is 1.35 Å. In the twentieth N site, N(10) is bonded in a 3-coordinate geometry to one Cu(4), one C(4), and one N(9) atom. There are fifteen inequivalent H sites. In the first H site, H(1,2,3) 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(12) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(12) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(7,8) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(11,12) is bonded in a single-bond geometry to one C(6) atom. In the ninth H site, H(13) is bonded in a distorted single-bond geometry to one C(14) atom. In the tenth H site, H(14) is bonded in a 2-coordinate geometry to one C(14) and one H(15) atom. The H(14)-H(15) bond length is 0.41 Å. In the eleventh H site, H(15) is bonded in a 2-coordinate geometry to one C(14) and one H(14) atom. In the twelfth H site, H(16) is bonded in a 2-coordinate geometry to one C(10) and one H(17) atom. The H(16)-H(17) bond length is 0.60 Å. In the thirteenth H site, H(17) is bonded in a 2-coordinate geometry to one C(10) and one H(16) atom. In the fourteenth H site, H(18) is bonded in a distorted single-bond geometry to one C(10) atom. In the fifteenth H site, H(19,20,21) is bonded in a single-bond geometry to one C(8) atom. Linkers: 2 CC1=NC(C)=N[N]1 ,1 [CH3].[C]1=N[N]N=N1.[H].[H].[H] ,1 [CH3].[C]1N=NN=N1.[H].[H].[H] ,1 [CH].[C]1=NN=N[N]1.[H].[H][H].[H][H] ,1 [CH].[C]1=NN=N[N]1.[H].[H].[H].[H][H] ,1 C.[C]1N=NN=N1.[H].[H] ,1 C.[C]1=NN=N[N]1.[H][H] ,2 [CH3].[C]1=NN=N[N]1.[H].[H].[H] ,2 CC1=[N]=C(N=N1)C ,24 CC1=NN=N[N]1 ,1 [CH].[C]1=N[N]N=N1.[H].[H].[H].[H][H] ,1 [CH].[C]1N=NN=N1.[H].[H].[H].[H].[H] ,1 C.[C]1=NN=N[N]1.[H].[H] ,1 C.[C]1=N[N]N=N1.[H][H]. Metal clusters: 40 [Cu]. The MOF has largest included sphere 4.83 A, density 1.89 g/cm3, surface area 3499.19 m2/g, accessible volume 0.22 cm3/g