Zn3C26N20H40(O2Cl)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(10), one N(14), and one Cl(1) atom. The Zn(1)-N(1) bond length is 2.02 Å. The Zn(1)-N(10) bond length is 2.04 Å. The Zn(1)-N(14) bond length is 2.05 Å. The Zn(1)-Cl(1) bond length is 2.21 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(11), one N(15), one N(5), and one Cl(2) atom. The Zn(2)-N(11) bond length is 2.04 Å. The Zn(2)-N(15) bond length is 2.04 Å. The Zn(2)-N(5) bond length is 2.02 Å. The Zn(2)-Cl(2) bond length is 2.21 Å. In the third Zn site, Zn(3) is bonded in an octahedral geometry to one N(3), one N(7), one O(1), one O(2), one O(3), and one O(4) atom. The Zn(3)-N(3) bond length is 2.12 Å. The Zn(3)-N(7) bond length is 2.16 Å. The Zn(3)-O(1) bond length is 2.20 Å. The Zn(3)-O(2) bond length is 2.15 Å. The Zn(3)-O(3) bond length is 2.13 Å. The Zn(3)-O(4) bond length is 2.11 Å. There are twenty-six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(4) bond length is 1.34 Å. In the second C site, C(2) is bonded to one C(1), one C(11), one C(3), and one C(9) atom to form corner-sharing CC4 tetrahedra. The C(2)-C(11) bond length is 1.55 Å. The C(2)-C(3) bond length is 1.55 Å. The C(2)-C(9) bond length is 1.54 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one C(2); one C(4); and two equivalent H(1,2) atoms. The C(3)-C(4) bond length is 1.54 Å. Both C(3)-H(1,2) bond lengths are 1.10 Å. In the fourth C site, C(4) is bonded to one C(10), one C(12), one C(3), and one C(5) atom to form corner-sharing CC4 tetrahedra. The C(4)-C(10) bond length is 1.54 Å. The C(4)-C(12) bond length is 1.50 Å. The C(4)-C(5) bond length is 1.55 Å. In the fifth C site, C(5) is bonded in a distorted water-like geometry to one C(4), one C(6), one H(3), and one H(4) atom. The C(5)-C(6) bond length is 1.54 Å. The C(5)-H(3) bond length is 1.10 Å. The C(5)-H(4) bond length is 1.10 Å. In the sixth C site, C(6) is bonded to one C(11), one C(13), one C(5), and one C(7) atom to form corner-sharing CC4 tetrahedra. The C(6)-C(11) bond length is 1.54 Å. The C(6)-C(13) bond length is 1.49 Å. The C(6)-C(7) bond length is 1.54 Å. In the seventh C site, C(7) is bonded in a distorted water-like geometry to one C(6), one C(8), one H(5), and one H(6) atom. The C(7)-C(8) bond length is 1.54 Å. The C(7)-H(5) bond length is 1.10 Å. The C(7)-H(6) bond length is 1.10 Å. In the eighth C site, C(8) is bonded to one C(10), one C(14), one C(7), and one C(9) atom to form corner-sharing CC4 tetrahedra. The C(8)-C(10) bond length is 1.54 Å. The C(8)-C(14) bond length is 1.50 Å. The C(8)-C(9) bond length is 1.54 Å. In the ninth C site, C(9) is bonded in a distorted water-like geometry to one C(2); one C(8); one H(7,9); and one H(8) atom. The C(9)-H(7,9) bond length is 1.10 Å. The C(9)-H(8) bond length is 1.10 Å. In the tenth C site, C(10) is bonded in a distorted water-like geometry to one C(4); one C(8); one H(10); and one H(7,9) atom. The C(10)-H(10) bond length is 1.10 Å. The C(10)-H(7,9) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a distorted water-like geometry to one C(2), one C(6), one H(11), and one H(12) atom. The C(11)-H(11) bond length is 1.10 Å. The C(11)-H(12) bond length is 1.10 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(4), one N(5), and one N(8) atom. The C(12)-N(5) bond length is 1.36 Å. The C(12)-N(8) bond length is 1.34 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(6), one N(12), and one N(9) atom. The C(13)-N(12) bond length is 1.35 Å. The C(13)-N(9) bond length is 1.35 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(8), one N(13), and one N(16) atom. The C(14)-N(13) bond length is 1.35 Å. The C(14)-N(16) bond length is 1.35 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one N(17), one H(13), and one O(1) atom. The C(15)-N(17) bond length is 1.34 Å. The C(15)-H(13) bond length is 1.10 Å. The C(15)-O(1) bond length is 1.25 Å. In the sixteenth C site, C(16) is bonded to one N(17), one H(14), one H(15), and one H(16) atom to form corner-sharing CH3N tetrahedra. The C(16)-N(17) bond length is 1.46 Å. The C(16)-H(14) bond length is 1.10 Å. The C(16)-H(15) bond length is 1.10 Å. The C(16)-H(16) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded to one N(17), one H(17), one H(18), and one H(19) atom to form corner-sharing CH3N tetrahedra. The C(17)-N(17) bond length is 1.46 Å. The C(17)-H(17) bond length is 1.10 Å. The C(17)-H(18) bond length is 1.10 Å. The C(17)-H(19) bond length is 1.10 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one N(18), one H(20), and one O(2) atom. The C(18)-N(18) bond length is 1.34 Å. The C(18)-H(20) bond length is 1.11 Å. The C(18)-O(2) bond length is 1.25 Å. In the nineteenth C site, C(19) is bonded to one N(18), one H(21), one H(22), and one H(23) atom to form corner-sharing CH3N tetrahedra. The C(19)-N(18) bond length is 1.46 Å. The C(19)-H(21) bond length is 1.09 Å. The C(19)-H(22) bond length is 1.10 Å. The C(19)-H(23) bond length is 1.10 Å. In the twentieth C site, C(20) is bonded to one N(18), one H(24), one H(25), and one H(26) atom to form corner-sharing CH3N tetrahedra. The C(20)-N(18) bond length is 1.45 Å. The C(20)-H(24) bond length is 1.10 Å. The C(20)-H(25) bond length is 1.10 Å. The C(20)-H(26) bond length is 1.10 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one N(19), one H(27), and one O(3) atom. The C(21)-N(19) bond length is 1.34 Å. The C(21)-H(27) bond length is 1.10 Å. The C(21)-O(3) bond length is 1.26 Å. In the twenty-second C site, C(22) is bonded to one N(19), one H(28), one H(29), and one H(30) atom to form corner-sharing CH3N tetrahedra. The C(22)-N(19) bond length is 1.45 Å. The C(22)-H(28) bond length is 1.10 Å. The C(22)-H(29) bond length is 1.10 Å. The C(22)-H(30) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded to one N(19), one H(31), one H(32), and one H(33) atom to form corner-sharing CH3N tetrahedra. The C(23)-N(19) bond length is 1.45 Å. The C(23)-H(31) bond length is 1.10 Å. The C(23)-H(32) bond length is 1.10 Å. The C(23)-H(33) bond length is 1.10 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one N(20), one H(34), and one O(4) atom. The C(24)-N(20) bond length is 1.33 Å. The C(24)-H(34) bond length is 1.10 Å. The C(24)-O(4) bond length is 1.26 Å. In the twenty-fifth C site, C(25) is bonded to one N(20), one H(35), one H(36), and one H(37) atom to form corner-sharing CH3N tetrahedra. The C(25)-N(20) bond length is 1.46 Å. The C(25)-H(35) bond length is 1.10 Å. The C(25)-H(36) bond length is 1.10 Å. The C(25)-H(37) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded to one N(20), one H(38), one H(39), and one H(40) atom to form corner-sharing CH3N tetrahedra. The C(26)-N(20) bond length is 1.46 Å. The C(26)-H(38) bond length is 1.10 Å. The C(26)-H(39) bond length is 1.10 Å. The C(26)-H(40) bond length is 1.10 Å. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Zn(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.35 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 Zn(3), 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 distorted water-like geometry to one C(1) and one N(3) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Zn(2), one C(12), and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one N(5) and one N(7) atom. The N(6)-N(7) bond length is 1.31 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Zn(3), one N(6), and one N(8) atom. The N(7)-N(8) bond length is 1.34 Å. In the eighth N site, N(8) is bonded in a distorted water-like geometry to one C(12) and one N(7) atom. In the ninth N site, N(9) is bonded in a distorted single-bond geometry to one C(13) and one N(10) atom. The N(9)-N(10) bond length is 1.33 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Zn(1), one N(11), and one N(9) atom. The N(10)-N(11) bond length is 1.33 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Zn(2), one N(10), and one N(12) atom. The N(11)-N(12) bond length is 1.33 Å. In the twelfth N site, N(12) is bonded in a distorted single-bond geometry to one C(13) and one N(11) atom. In the thirteenth N site, N(13) is bonded in a distorted water-like geometry to one C(14) and one N(14) atom. The N(13)-N(14) bond length is 1.33 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Zn(1), one N(13), and one N(15) atom. The N(14)-N(15) bond length is 1.34 Å. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Zn(2), one N(14), and one N(16) atom. The N(15)-N(16) bond length is 1.33 Å. In the sixteenth N site, N(16) is bonded in a distorted water-like geometry to one C(14) and one N(15) atom. In the seventeenth N site, N(17) is bonded in a trigonal planar geometry to one C(15), one C(16), and one C(17) atom. In the eighteenth N site, N(18) is bonded in a trigonal planar geometry to one C(18), one C(19), and one C(20) atom. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one C(21), one C(22), and one C(23) atom. In the twentieth N site, N(20) is bonded in a trigonal planar geometry to one C(24), one C(25), and one C(26) atom. There are thirty-eight inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(5) 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(7) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(7,9) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(16) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(16) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(16) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(17) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(17) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(17) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(18) atom. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(19) atom. In the twentieth H site, H(22) is bonded in a single-bond geometry to one C(19) atom. In the twenty-first H site, H(23) is bonded in a single-bond geometry to one C(19) atom. In the twenty-second H site, H(24) is bonded in a single-bond geometry to one C(20) atom. In the twenty-third H site, H(25) is bonded in a single-bond geometry to one C(20) atom. In the twenty-fourth H site, H(26) is bonded in a single-bond geometry to one C(20) atom. In the twenty-fifth H site, H(27) is bonded in a single-bond geometry to one C(21) atom. In the twenty-sixth H site, H(28) is bonded in a single-bond geometry to one C(22) atom. In the twenty-seventh H site, H(29) is bonded in a single-bond geometry to one C(22) atom. In the twenty-eighth H site, H(30) is bonded in a single-bond geometry to one C(22) atom. In the twenty-ninth H site, H(31) is bonded in a single-bond geometry to one C(23) atom. In the thirtieth H site, H(32) is bonded in a single-bond geometry to one C(23) atom. In the thirty-first H site, H(33) is bonded in a single-bond geometry to one C(23) atom. In the thirty-second H site, H(34) is bonded in a single-bond geometry to one C(24) atom. In the thirty-third H site, H(35) is bonded in a single-bond geometry to one C(25) atom. In the thirty-fourth H site, H(36) is bonded in a single-bond geometry to one C(25) atom. In the thirty-fifth H site, H(37) is bonded in a single-bond geometry to one C(25) atom. In the thirty-sixth H site, H(38) is bonded in a single-bond geometry to one C(26) atom. In the thirty-seventh H site, H(39) is bonded in a single-bond geometry to one C(26) atom. In the thirty-eighth H site, H(40) is bonded in a single-bond geometry to one C(26) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(15) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(18) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(21) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(24) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Zn(2) atom. Linkers: 4 C1[C@]2(C3=NN=N[N]3)C[C@@]3(C4=NN=N[N]4)C[C@](C4=NN=N[N]4)(C[C@]1(C1=NN=N[N]1)C3)C2. Metal clusters: 4 Cl[Zn]1=NN=[Zn](Cl)N=N1 ,4 [Zn]. The MOF has largest included sphere 4.80 A, density 1.41 g/cm3, surface area 4571.59 m2/g, accessible volume 0.26 cm3/g