Zn3C25N19H25SO4 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 T-shaped geometry to one N(1), one N(13), and one O(1) atom. The Zn(1)-N(1) bond length is 2.06 Å. The Zn(1)-N(13) bond length is 2.06 Å. The Zn(1)-O(1) bond length is 2.17 Å. In the second Zn site, Zn(2) is bonded in a T-shaped geometry to one N(10), one N(7), and one O(3) atom. The Zn(2)-N(10) bond length is 2.06 Å. The Zn(2)-N(7) bond length is 2.09 Å. The Zn(2)-O(3) bond length is 2.10 Å. In the third Zn site, Zn(3) is bonded in a T-shaped geometry to one N(18), one N(4), and one O(2) atom. The Zn(3)-N(18) bond length is 2.08 Å. The Zn(3)-N(4) bond length is 2.10 Å. The Zn(3)-O(2) bond length is 2.15 Å. There are twenty-five inequivalent C sites. In the first C site, C(17) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(15) atom. The C(17)-N(7) bond length is 1.34 Å. The C(17)-N(9) bond length is 1.29 Å. The C(17)-H(15) bond length is 0.93 Å. In the second C site, C(18) is bonded in a 3-coordinate geometry to one C(13), one N(11), one H(16), and one H(17) atom. The C(18)-C(13) bond length is 1.51 Å. The C(18)-N(11) bond length is 1.46 Å. The C(18)-H(16) bond length is 0.97 Å. The C(18)-H(17) bond length is 0.97 Å. In the third C site, C(19) is bonded in a trigonal planar geometry to one N(10), one N(11), and one H(18) atom. The C(19)-N(10) bond length is 1.31 Å. The C(19)-N(11) bond length is 1.30 Å. The C(19)-H(18) bond length is 0.93 Å. In the fourth C site, C(20) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(19) atom. The C(20)-N(10) bond length is 1.35 Å. The C(20)-N(12) bond length is 1.30 Å. The C(20)-H(19) bond length is 0.93 Å. In the fifth C site, C(21) is bonded in a 3-coordinate geometry to one C(14); one N(14); and two equivalent H(20,21) atoms. The C(21)-C(14) bond length is 1.48 Å. The C(21)-N(14) bond length is 1.46 Å. Both C(21)-H(20,21) bond lengths are 0.97 Å. In the sixth C site, C(22) is bonded in a trigonal planar geometry to one N(13), one N(14), and one H(22) atom. The C(22)-N(13) bond length is 1.30 Å. The C(22)-N(14) bond length is 1.30 Å. The C(22)-H(22) bond length is 0.93 Å. In the seventh C site, C(23) is bonded in a trigonal planar geometry to one N(13), one N(15), and one H(23) atom. The C(23)-N(13) bond length is 1.35 Å. The C(23)-N(15) bond length is 1.29 Å. The C(23)-H(23) bond length is 0.93 Å. In the eighth C site, C(24) is bonded in a 4-coordinate geometry to one C(25), one N(17), one N(18), and one H(24) atom. The C(24)-C(25) bond length is 1.49 Å. The C(24)-N(17) bond length is 1.30 Å. The C(24)-N(18) bond length is 1.42 Å. The C(24)-H(24) bond length is 0.93 Å. In the ninth C site, C(25) is bonded in a 4-coordinate geometry to one C(24), one N(18), one N(19), and one H(25) atom. The C(25)-N(18) bond length is 1.51 Å. The C(25)-N(19) bond length is 1.32 Å. The C(25)-H(25) bond length is 0.93 Å. In the tenth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(4) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(3) bond length is 1.36 Å. The C(1)-C(4) bond length is 1.51 Å. In the eleventh C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.51 Å. In the twelfth C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(9) atom. The C(3)-C(9) bond length is 1.53 Å. In the thirteenth C site, C(4) is bonded in a 3-coordinate geometry to one C(1); one N(2); and two equivalent H(1,2) atoms. The C(4)-N(2) bond length is 1.49 Å. Both C(4)-H(1,2) bond lengths are 0.97 Å. In the fourteenth C site, C(5) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(3) atom. The C(5)-N(1) bond length is 1.29 Å. The C(5)-N(2) bond length is 1.31 Å. The C(5)-H(3) bond length is 0.93 Å. In the fifteenth C site, C(6) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(4) atom. The C(6)-N(1) bond length is 1.34 Å. The C(6)-N(3) bond length is 1.31 Å. The C(6)-H(4) bond length is 0.93 Å. In the sixteenth C site, C(7) is bonded in a 3-coordinate geometry to one C(2); one N(16); and two equivalent H(5,6) atoms. The C(7)-N(16) bond length is 1.46 Å. Both C(7)-H(5,6) bond lengths are 0.97 Å. In the seventeenth C site, C(8) is bonded in a trigonal planar geometry to one N(16), one N(18), and one H(7) atom. The C(8)-N(16) bond length is 1.30 Å. The C(8)-N(18) bond length is 1.26 Å. The C(8)-H(7) bond length is 0.93 Å. In the eighteenth C site, C(9) is bonded in a 3-coordinate geometry to one C(3), one N(5), one H(8), and one H(9) atom. The C(9)-N(5) bond length is 1.46 Å. The C(9)-H(8) bond length is 0.97 Å. The C(9)-H(9) bond length is 0.97 Å. In the nineteenth C site, C(10) is bonded in a trigonal planar geometry to one N(4), one N(5), and one H(10) atom. The C(10)-N(4) bond length is 1.29 Å. The C(10)-N(5) bond length is 1.32 Å. The C(10)-H(10) bond length is 0.93 Å. In the twentieth C site, C(11) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(11) atom. The C(11)-N(4) bond length is 1.35 Å. The C(11)-N(6) bond length is 1.30 Å. The C(11)-H(11) bond length is 0.93 Å. In the twenty-first C site, C(12) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(15) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(14) bond length is 1.40 Å. The C(12)-C(15) bond length is 1.55 Å. In the twenty-second C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(18) atom. The C(13)-C(14) bond length is 1.41 Å. In the twenty-third C site, C(14) is bonded in a trigonal planar geometry to one C(12), one C(13), and one C(21) atom. In the twenty-fourth C site, C(15) is bonded in a 3-coordinate geometry to one C(12); one N(8); and two equivalent H(12,13) atoms. The C(15)-N(8) bond length is 1.46 Å. Both C(15)-H(12,13) bond lengths are 0.97 Å. In the twenty-fifth C site, C(16) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(14) atom. The C(16)-N(7) bond length is 1.31 Å. The C(16)-N(8) bond length is 1.29 Å. The C(16)-H(14) bond length is 0.93 Å. There are nineteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(5), and one C(6) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one C(4), one C(5), and one N(3) atom. The N(2)-N(3) bond length is 1.36 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(6) and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(10), and one C(11) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one C(10), one C(9), 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 distorted water-like geometry to one C(11) and one N(5) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(16), and one C(17) atom. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one C(15), one C(16), and one N(9) atom. The N(8)-N(9) bond length is 1.35 Å. In the ninth N site, N(9) is bonded in a distorted water-like geometry to one C(17) and one N(8) atom. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(19), and one C(20) atom. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one C(18), one C(19), and one N(12) atom. The N(11)-N(12) bond length is 1.34 Å. In the twelfth N site, N(12) is bonded in a water-like geometry to one C(20) and one N(11) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(22), and one C(23) atom. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one C(21), one C(22), 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 water-like geometry to one C(23) and one N(14) atom. In the sixteenth N site, N(16) is bonded in a 4-coordinate geometry to one C(7), one C(8), one N(17), and one N(19) atom. The N(16)-N(17) bond length is 1.37 Å. The N(16)-N(19) bond length is 1.44 Å. In the seventeenth N site, N(17) is bonded in a 1-coordinate geometry to one C(24) and one N(16) atom. In the eighteenth N site, N(18) is bonded in a 4-coordinate geometry to one Zn(3), one C(24), one C(25), and one C(8) atom. In the nineteenth N site, N(19) is bonded in a distorted single-bond geometry to one C(25) and one N(16) atom. There are twenty-one inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(4) 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(6) atom. In the fourth H site, H(5,6) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(9) 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(12,13) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(16) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(18) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(18) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(19) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(20) atom. In the seventeenth H site, H(20,21) is bonded in a single-bond geometry to one C(21) atom. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one C(22) atom. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one C(23) atom. In the twentieth H site, H(24) is bonded in a single-bond geometry to one C(24) atom. In the twenty-first H site, H(25) is bonded in a single-bond geometry to one C(25) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The S(1)-O(1) bond length is 1.47 Å. The S(1)-O(2) bond length is 1.46 Å. The S(1)-O(3) bond length is 1.49 Å. The S(1)-O(4) bond length is 1.42 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. Linkers: 3 [CH]1N=C[N]N1Cc1c(CN2[CH]N=C[N]2)c(CN2[CH]N=C[N]2)c(Cn2cncn2)c(CN2[CH]N=C[N]2)c1CN1[CH]N=C[N]1 ,1 [c]1ncn(Cc2c(CN3[CH]N=C[N]3)c(CN3[CH]N=C[N]3)c(CN3[CH]N=C[N]3)c(CN3[CH]N=C[N]3)c2Cn2cncn2)n1 ,1 n1cnn(c1)Cc1c(CN2[N]C=N[CH]2)c(C[N@]23[CH][N@@]4[C@@H]5[N@]2[N@]3[C@H]45)c(c(c1C[N@]12[CH][N@@]3[C@@H]4[N@]1[N@]2[C@H]34)Cn1ncnc1)CN1N=[C]N=C1 ,1 C1=N[CH]N([N]1)Cc1c(C[N@]23[CH][N@@]4[C@@H]5[N@]2[N@]3[C@H]45)c(CN2[CH]N=C[N]2)c(c(c1Cn1cncn1)C[N@]12[CH][N@@]3[C@@H]4[N@]1[N@]2[C@H]34)Cn1cncn1 ,1 N1=C[N]N([CH]1)Cc1c(C[N@]23[CH][N@@]4[C@@H]5[N@]2[N@]3[C@H]45)c(CN2[N]C=N[CH]2)c(c(c1CN1[N]C=N[CH]1)C[N@]12[CH][N@@]3[C@@H]4[N@]1[N@]2[C@H]34)CN1[N]C=N[CH]1 ,1 [c]1ncn(Cc2c(CN3[CH]N=C[N]3)c(CN3[CH]N=C[N]3)c(CN3[CH]N=C[N]3)c(CN3[CH]N=C[N]3)c2CN2[CH]N=C[N]2)n1 ,1 C1=N[CH]N([N]1)Cc1c(CN2C=N[C]=N2)c(C[N@]23[CH][N@@]4[C@@H]5[N@]2[N@]3[C@H]45)c(c(c1C[N@]12[CH][N@@]3[C@@H]4[N@]1[N@]2[C@H]34)CN1[CH]N=C[N]1)Cn1cncn1. Metal clusters: 4 [O]S(O[Zn])(O[Zn])O[Zn]. The MOF has largest included sphere 3.93 A, density 1.54 g/cm3, surface area 3993.27 m2/g, accessible volume 0.21 cm3/g