Cu3Zn2C36H44(N11O)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square pyramidal geometry to one N(11), one N(13), one N(17), one N(4), and one O(1) atom. The Cu(1)-N(11) bond length is 1.99 Å. The Cu(1)-N(13) bond length is 1.99 Å. The Cu(1)-N(17) bond length is 1.98 Å. The Cu(1)-N(4) bond length is 2.00 Å. The Cu(1)-O(1) bond length is 2.57 Å. In the second Cu site, Cu(2) is bonded in a square pyramidal geometry to one N(12), one N(14), one N(18), one N(3), and one O(2) atom. The Cu(2)-N(12) bond length is 1.99 Å. The Cu(2)-N(14) bond length is 1.99 Å. The Cu(2)-N(18) bond length is 1.98 Å. The Cu(2)-N(3) bond length is 2.00 Å. The Cu(2)-O(2) bond length is 2.56 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent N(15) and two equivalent N(7) atoms. Both Cu(3)-N(15) bond lengths are 1.98 Å. Both Cu(3)-N(7) bond lengths are 2.00 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent N(16) and two equivalent N(8) atoms. Both Cu(4)-N(16) bond lengths are 1.98 Å. Both Cu(4)-N(8) bond lengths are 2.00 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(20), one N(5), and one N(9) atom. The Zn(1)-N(1) bond length is 1.99 Å. The Zn(1)-N(20) bond length is 1.99 Å. The Zn(1)-N(5) bond length is 2.00 Å. The Zn(1)-N(9) bond length is 1.99 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(10), one N(19), one N(2), and one N(6) atom. The Zn(2)-N(10) bond length is 1.99 Å. The Zn(2)-N(19) bond length is 1.99 Å. The Zn(2)-N(2) bond length is 1.99 Å. The Zn(2)-N(6) bond length is 2.00 Å. There are thirty-five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(3) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(4), and one H(2) atom. The C(2)-N(2) bond length is 1.35 Å. The C(2)-N(4) bond length is 1.34 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(3)-N(1) bond length is 1.38 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(4) atom. The C(4)-N(2) bond length is 1.38 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(5,6) atom. The C(5)-N(3) bond length is 1.38 Å. The C(5)-H(5,6) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(5,6) atom. The C(6)-N(4) bond length is 1.38 Å. The C(6)-H(5,6) bond length is 1.08 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(5), one N(7), and one H(7) atom. The C(7)-N(5) bond length is 1.34 Å. The C(7)-N(7) bond length is 1.35 Å. The C(7)-H(7) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(6), one N(8), and one H(8) atom. The C(8)-N(6) bond length is 1.34 Å. The C(8)-N(8) bond length is 1.35 Å. The C(8)-H(8) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(5), and one H(9) atom. The C(9)-C(11) bond length is 1.38 Å. The C(9)-N(5) bond length is 1.38 Å. The C(9)-H(9) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(6), and one H(10) atom. The C(10)-C(12) bond length is 1.38 Å. The C(10)-N(6) bond length is 1.38 Å. The C(10)-H(10) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(9), one N(7), and one H(11) atom. The C(11)-N(7) bond length is 1.39 Å. The C(11)-H(11) bond length is 1.08 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(10), one N(8), and one H(12) atom. The C(12)-N(8) bond length is 1.39 Å. The C(12)-H(12) bond length is 1.08 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one N(11), one N(9), and one H(13) atom. The C(13)-N(11) bond length is 1.35 Å. The C(13)-N(9) bond length is 1.35 Å. The C(13)-H(13) bond length is 1.08 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(14) atom. The C(14)-N(10) bond length is 1.35 Å. The C(14)-N(12) bond length is 1.35 Å. The C(14)-H(14) bond length is 1.08 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(17), one N(9), and one H(15) atom. The C(15)-C(17) bond length is 1.38 Å. The C(15)-N(9) bond length is 1.38 Å. The C(15)-H(15) bond length is 1.08 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(18), one N(10), and one H(16) atom. The C(16)-C(18) bond length is 1.38 Å. The C(16)-N(10) bond length is 1.38 Å. The C(16)-H(16) bond length is 1.08 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(11), and one H(17) atom. The C(17)-N(11) bond length is 1.38 Å. The C(17)-H(17) bond length is 1.08 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(12), and one H(18) atom. The C(18)-N(12) bond length is 1.38 Å. The C(18)-H(18) bond length is 1.08 Å. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one N(13), one N(15), and one H(19) atom. The C(19)-N(13) bond length is 1.35 Å. The C(19)-N(15) bond length is 1.35 Å. The C(19)-H(19) bond length is 1.08 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one N(14), one N(16), and one H(20) atom. The C(20)-N(14) bond length is 1.35 Å. The C(20)-N(16) bond length is 1.35 Å. The C(20)-H(20) bond length is 1.08 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(23), one N(13), and one H(21) atom. The C(21)-C(23) bond length is 1.38 Å. The C(21)-N(13) bond length is 1.38 Å. The C(21)-H(21) bond length is 1.08 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(14), and one H(22) atom. The C(22)-C(24) bond length is 1.38 Å. The C(22)-N(14) bond length is 1.38 Å. The C(22)-H(22) bond length is 1.08 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(15), and one H(23) atom. The C(23)-N(15) bond length is 1.38 Å. The C(23)-H(23) bond length is 1.08 Å. In the twenty-fourth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(22), one N(16), and one H(24) atom. The C(24)-N(16) bond length is 1.38 Å. The C(24)-H(24) bond length is 1.08 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one N(17); one N(19); and one H(25,26) atom. The C(25)-N(17) bond length is 1.34 Å. The C(25)-N(19) bond length is 1.35 Å. The C(25)-H(25,26) bond length is 1.08 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one N(18); one N(20); and one H(25,26) atom. The C(26)-N(18) bond length is 1.34 Å. The C(26)-N(20) bond length is 1.35 Å. The C(26)-H(25,26) bond length is 1.08 Å. In the twenty-seventh C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(29,30); one N(17); and one H(27,28) atom. The C(27)-C(29,30) bond length is 1.38 Å. The C(27)-N(17) bond length is 1.38 Å. The C(27)-H(27,28) bond length is 1.08 Å. In the twenty-eighth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(29,30); one N(18); and one H(27,28) atom. The C(28)-C(29,30) bond length is 1.38 Å. The C(28)-N(18) bond length is 1.38 Å. The C(28)-H(27,28) bond length is 1.08 Å. In the twenty-ninth C site, C(29,30) is bonded in a distorted trigonal planar geometry to one C(27); one N(19); and one H(29,30) atom. The C(29,30)-N(19) bond length is 1.38 Å. The C(29,30)-H(29,30) bond length is 1.09 Å. In the thirtieth C site, C(31) is bonded in a trigonal planar geometry to one N(21), one H(31), and one O(1) atom. The C(31)-N(21) bond length is 1.35 Å. The C(31)-H(31) bond length is 1.11 Å. The C(31)-O(1) bond length is 1.24 Å. In the thirty-first C site, C(32) is bonded in a trigonal planar geometry to one N(22), one H(32), and one O(2) atom. The C(32)-N(22) bond length is 1.35 Å. The C(32)-H(32) bond length is 1.11 Å. The C(32)-O(2) bond length is 1.24 Å. In the thirty-second C site, C(33) is bonded to one N(21); one H(33,34); one H(35,36); and one H(37,38) atom to form corner-sharing CH3N tetrahedra. The C(33)-N(21) bond length is 1.45 Å. The C(33)-H(33,34) bond length is 1.10 Å. The C(33)-H(35,36) bond length is 1.10 Å. The C(33)-H(37,38) bond length is 1.10 Å. In the thirty-third C site, C(34) is bonded to one N(22); one H(33,34); one H(35,36); and one H(37,38) atom to form corner-sharing CH3N tetrahedra. The C(34)-N(22) bond length is 1.45 Å. The C(34)-H(33,34) bond length is 1.10 Å. The C(34)-H(35,36) bond length is 1.10 Å. The C(34)-H(37,38) bond length is 1.10 Å. In the thirty-fourth C site, C(35) is bonded to one N(21); one H(39,40); one H(41,42); and one H(43,44) atom to form corner-sharing CH3N tetrahedra. The C(35)-N(21) bond length is 1.45 Å. The C(35)-H(39,40) bond length is 1.10 Å. The C(35)-H(41,42) bond length is 1.10 Å. The C(35)-H(43,44) bond length is 1.10 Å. In the thirty-fifth C site, C(36) is bonded to one N(22); one H(39,40); one H(41,42); and one H(43,44) atom to form corner-sharing CH3N tetrahedra. The C(36)-N(22) bond length is 1.45 Å. The C(36)-H(39,40) bond length is 1.10 Å. The C(36)-H(41,42) bond length is 1.10 Å. The C(36)-H(43,44) bond length is 1.10 Å. There are twenty-two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(2), one C(2), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(5) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(6) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Zn(1), one C(7), and one C(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(2), one C(10), and one C(8) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(3), one C(11), and one C(7) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cu(4), one C(12), and one C(8) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(1), one C(13), and one C(15) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Zn(2), one C(14), and one C(16) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(17) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Cu(2), one C(14), and one C(18) atom. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one Cu(1), one C(19), and one C(21) atom. In the fourteenth N site, N(14) is bonded in a trigonal planar geometry to one Cu(2), one C(20), and one C(22) atom. In the fifteenth N site, N(15) is bonded in a trigonal planar geometry to one Cu(3), one C(19), and one C(23) atom. In the sixteenth N site, N(16) is bonded in a trigonal planar geometry to one Cu(4), one C(20), and one C(24) atom. In the seventeenth N site, N(17) is bonded in a trigonal planar geometry to one Cu(1), one C(25), and one C(27) atom. In the eighteenth N site, N(18) is bonded in a trigonal planar geometry to one Cu(2), one C(26), and one C(28) atom. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one Zn(2); one C(25); and one C(29,30) atom. In the twentieth N site, N(20) is bonded in a trigonal planar geometry to one Zn(1); one C(26); and one C(29,30) atom. The N(20)-C(29,30) bond length is 1.38 Å. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(35) atom. In the twenty-second N site, N(22) is bonded in a trigonal planar geometry to one C(32), one C(34), and one C(36) atom. There are thirty-four 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. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5,6) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(16) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(17) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(18) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(19) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(20) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(21) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(22) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(23) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(24) atom. In the twenty-fourth H site, H(25,26) is bonded in a single-bond geometry to one C(25) atom. In the twenty-fifth H site, H(27,28) is bonded in a single-bond geometry to one C(27) atom. In the twenty-sixth H site, H(29,30) is bonded in a single-bond geometry to one C(29,30) atom. In the twenty-seventh H site, H(31) is bonded in a single-bond geometry to one C(31) atom. In the twenty-eighth H site, H(32) is bonded in a single-bond geometry to one C(32) atom. In the twenty-ninth H site, H(33,34) is bonded in a single-bond geometry to one C(33) atom. In the thirtieth H site, H(35,36) is bonded in a single-bond geometry to one C(33) atom. In the thirty-first H site, H(37,38) is bonded in a single-bond geometry to one C(33) atom. In the thirty-second H site, H(39,40) is bonded in a single-bond geometry to one C(35) atom. In the thirty-third H site, H(41,42) is bonded in a single-bond geometry to one C(35) atom. In the thirty-fourth H site, H(43,44) is bonded in a single-bond geometry to one C(35) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1) and one C(31) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2) and one C(32) atom. Linkers: 19 C1=CN=C[N]1 ,1 [CH]1C=NC=N1. Metal clusters: 4 [Zn] ,6 [Cu]. The MOF has largest included sphere 4.43 A, density 1.39 g/cm3, surface area 4696.08 m2/g, accessible volume 0.30 cm3/g