CdC17N5H11SO4 crystallizes in the triclinic P1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1,3) is bonded in a distorted pentagonal bipyramidal geometry to one N(1); two equivalent N(15,16); one O(1); one O(10); one O(2); and one O(9) atom. The Cd(1,3)-N(1) bond length is 2.40 Å. Both Cd(1,3)-N(15,16) bond lengths are 2.38 Å. The Cd(1,3)-O(1) bond length is 2.31 Å. The Cd(1,3)-O(10) bond length is 2.64 Å. The Cd(1,3)-O(2) bond length is 2.31 Å. The Cd(1,3)-O(9) bond length is 2.64 Å. In the second Cd site, Cd(2) is bonded in a distorted pentagonal bipyramidal geometry to one N(13), one N(14), one N(2), one O(11), one O(12), one O(3), and one O(4) atom. The Cd(2)-N(13) bond length is 2.38 Å. The Cd(2)-N(14) bond length is 2.38 Å. The Cd(2)-N(2) bond length is 2.39 Å. The Cd(2)-O(11) bond length is 2.64 Å. The Cd(2)-O(12) bond length is 2.64 Å. The Cd(2)-O(3) bond length is 2.31 Å. The Cd(2)-O(4) bond length is 2.31 Å. In the third Cd site, Cd(4) is bonded in a distorted pentagonal bipyramidal geometry to one N(17), one N(18), one N(4), one O(15), one O(16), one O(7), and one O(8) atom. The Cd(4)-N(17) bond length is 2.38 Å. The Cd(4)-N(18) bond length is 2.38 Å. The Cd(4)-N(4) bond length is 2.40 Å. The Cd(4)-O(15) bond length is 2.64 Å. The Cd(4)-O(16) bond length is 2.64 Å. The Cd(4)-O(7) bond length is 2.32 Å. The Cd(4)-O(8) bond length is 2.31 Å. There are thirty-seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(9,13); one H(1,5,7); and one S(1,2,3) atom. The C(1)-C(9,13) bond length is 1.38 Å. The C(1)-H(1,5,7) bond length is 1.09 Å. The C(1)-S(1,2,3) bond length is 1.71 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(10); one H(2,3,4,6,8); and one S(1,2,3) atom. The C(2)-C(10) bond length is 1.38 Å. The C(2)-H(2,3,4,6,8) bond length is 1.09 Å. The C(2)-S(1,2,3) bond length is 1.71 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(11); one H(2,3,4,6,8); and one S(1,2,3) atom. The C(3)-C(11) bond length is 1.38 Å. The C(3)-H(2,3,4,6,8) bond length is 1.09 Å. The C(3)-S(1,2,3) bond length is 1.71 Å. In the fourth C site, C(4,7,8) is bonded in a distorted single-bond geometry to one C(12); one H(2,3,4,6,8); and one S(4) atom. The C(4,7,8)-C(12) bond length is 1.38 Å. The C(4,7,8)-H(2,3,4,6,8) bond length is 1.08 Å. The C(4,7,8)-S(4) bond length is 1.71 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(9,13); one H(1,5,7); and one S(1,2,3) atom. The C(5)-C(9,13) bond length is 1.38 Å. The C(5)-H(1,5,7) bond length is 1.09 Å. The C(5)-S(1,2,3) bond length is 1.71 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(14); one H(2,3,4,6,8); and one S(1,2,3) atom. The C(6)-C(14) bond length is 1.38 Å. The C(6)-H(2,3,4,6,8) bond length is 1.09 Å. The C(6)-S(1,2,3) bond length is 1.71 Å. In the seventh C site, C(9,13) is bonded in a trigonal planar geometry to one C(1), one C(14), and one C(17) atom. The C(9,13)-C(14) bond length is 1.44 Å. The C(9,13)-C(17) bond length is 1.49 Å. In the eighth C site, C(10) is bonded in a trigonal planar geometry to one C(18,22); one C(2); and one C(9,13) atom. The C(10)-C(18,22) bond length is 1.49 Å. The C(10)-C(9,13) bond length is 1.44 Å. In the ninth C site, C(11) is bonded in a trigonal planar geometry to one C(15), one C(19), and one C(3) atom. The C(11)-C(15) bond length is 1.44 Å. The C(11)-C(19) bond length is 1.49 Å. In the tenth C site, C(12) is bonded in a trigonal planar geometry to one C(16); one C(20); and one C(4,7,8) atom. The C(12)-C(16) bond length is 1.44 Å. The C(12)-C(20) bond length is 1.49 Å. In the eleventh C site, C(14) is bonded in a trigonal planar geometry to one C(18,22); one C(6); and one C(9,13) atom. The C(14)-C(18,22) bond length is 1.49 Å. In the twelfth C site, C(15) is bonded in a trigonal planar geometry to one C(11); one C(23); and one C(4,7,8) atom. The C(15)-C(23) bond length is 1.49 Å. The C(15)-C(4,7,8) bond length is 1.38 Å. In the thirteenth C site, C(16) is bonded in a trigonal planar geometry to one C(12); one C(21,24); and one C(4,7,8) atom. The C(16)-C(21,24) bond length is 1.49 Å. The C(16)-C(4,7,8) bond length is 1.38 Å. In the fourteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(9,13); one O(1); and one O(9) atom. The C(17)-O(1) bond length is 1.28 Å. The C(17)-O(9) bond length is 1.27 Å. In the fifteenth C site, C(18,22) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(10), and one O(2) atom. The C(18,22)-O(10) bond length is 1.27 Å. The C(18,22)-O(2) bond length is 1.28 Å. In the sixteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(11), and one O(3) atom. The C(19)-O(11) bond length is 1.27 Å. The C(19)-O(3) bond length is 1.28 Å. In the seventeenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(12), and one O(4) atom. The C(20)-O(12) bond length is 1.27 Å. The C(20)-O(4) bond length is 1.28 Å. In the eighteenth C site, C(21,24) is bonded in a distorted bent 120 degrees geometry to one C(9,13); one O(13); and one O(5) atom. The C(21,24)-C(9,13) bond length is 1.49 Å. The C(21,24)-O(13) bond length is 1.27 Å. The C(21,24)-O(5) bond length is 1.28 Å. In the nineteenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(15), and one O(7) atom. The C(23)-O(15) bond length is 1.27 Å. The C(23)-O(7) bond length is 1.28 Å. In the twentieth C site, C(25,26,30,31,32) is bonded in a distorted bent 120 degrees geometry to one C(33), one N(1), and one H(9) atom. The C(25,26,30,31,32)-C(33) bond length is 1.40 Å. The C(25,26,30,31,32)-N(1) bond length is 1.34 Å. The C(25,26,30,31,32)-H(9) bond length is 1.09 Å. In the twenty-first C site, C(27,28) is bonded in a distorted bent 120 degrees geometry to one C(35,39); one N(2); and one H(11,15) atom. The C(27,28)-C(35,39) bond length is 1.40 Å. The C(27,28)-N(2) bond length is 1.34 Å. The C(27,28)-H(11,15) bond length is 1.09 Å. In the twenty-second C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(37,38); one N(3); and one H(13,14) atom. The C(29)-C(37,38) bond length is 1.40 Å. The C(29)-N(3) bond length is 1.34 Å. The C(29)-H(13,14) bond length is 1.09 Å. In the twenty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(25,26,30,31,32); one C(41,42,43,44); and one N(5,6,7,8,9,10,11) atom. The C(33)-C(41,42,43,44) bond length is 1.40 Å. The C(33)-N(5,6,7,8,9,10,11) bond length is 1.42 Å. In the twenty-fourth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(25,26,30,31,32); one C(41,42,43,44); and one N(5,6,7,8,9,10,11) atom. The C(34)-C(25,26,30,31,32) bond length is 1.40 Å. The C(34)-C(41,42,43,44) bond length is 1.40 Å. The C(34)-N(5,6,7,8,9,10,11) bond length is 1.42 Å. In the twenty-fifth C site, C(35,39) is bonded in a distorted single-bond geometry to one C(27,28); one C(41,42,43,44); and one N(5,6,7,8,9,10,11) atom. The C(35,39)-C(41,42,43,44) bond length is 1.40 Å. The C(35,39)-N(5,6,7,8,9,10,11) bond length is 1.42 Å. In the twenty-sixth C site, C(36,40) is bonded in a distorted trigonal planar geometry to one C(27,28); one C(41,42,43,44); and one N(5,6,7,8,9,10,11) atom. The C(36,40)-C(27,28) bond length is 1.40 Å. The C(36,40)-C(41,42,43,44) bond length is 1.40 Å. The C(36,40)-N(5,6,7,8,9,10,11) bond length is 1.42 Å. In the twenty-seventh C site, C(37,38) is bonded in a distorted single-bond geometry to one C(29); one C(41,42,43,44); and one N(5,6,7,8,9,10,11) atom. The C(37,38)-C(41,42,43,44) bond length is 1.40 Å. The C(37,38)-N(5,6,7,8,9,10,11) bond length is 1.42 Å. In the twenty-eighth C site, C(41,42,43,44) is bonded in a distorted single-bond geometry to one C(33); one C(34); and one H(17,18,20) atom. The C(41,42,43,44)-H(17,18,20) bond length is 1.09 Å. In the twenty-ninth C site, C(45,47,49,50,51) is bonded in a 3-coordinate geometry to one C(53,54); one N(5,6,7,8,9,10,11); and one H(21,22,23,24,25,26,27) atom. The C(45,47,49,50,51)-C(53,54) bond length is 1.37 Å. The C(45,47,49,50,51)-N(5,6,7,8,9,10,11) bond length is 1.39 Å. The C(45,47,49,50,51)-H(21,22,23,24,25,26,27) bond length is 1.08 Å. In the thirtieth C site, C(46,48,52) is bonded in a 3-coordinate geometry to one C(53,54); one N(5,6,7,8,9,10,11); and one H(21,22,23,24,25,26,27) atom. The C(46,48,52)-C(53,54) bond length is 1.37 Å. The C(46,48,52)-N(5,6,7,8,9,10,11) bond length is 1.39 Å. The C(46,48,52)-H(21,22,23,24,25,26,27) bond length is 1.08 Å. In the thirty-first C site, C(53,54) is bonded in a distorted bent 120 degrees geometry to one C(45,47,49,50,51); one N(13); and one H(29,30,31,32,33,34,35,36) atom. The C(53,54)-N(13) bond length is 1.38 Å. The C(53,54)-H(29,30,31,32,33,34,35,36) bond length is 1.09 Å. In the thirty-second C site, C(55,56,57,58,59) is bonded in a distorted bent 120 degrees geometry to one C(45,47,49,50,51); one N(15,16); and one H(29,30,31,32,33,34,35,36) atom. The C(55,56,57,58,59)-C(45,47,49,50,51) bond length is 1.37 Å. The C(55,56,57,58,59)-N(15,16) bond length is 1.38 Å. The C(55,56,57,58,59)-H(29,30,31,32,33,34,35,36) bond length is 1.09 Å. In the thirty-third C site, C(60) is bonded in a distorted bent 120 degrees geometry to one C(46,48,52); one N(20); and one H(29,30,31,32,33,34,35,36) atom. The C(60)-C(46,48,52) bond length is 1.37 Å. The C(60)-N(20) bond length is 1.38 Å. The C(60)-H(29,30,31,32,33,34,35,36) bond length is 1.09 Å. In the thirty-fourth C site, C(61) is bonded in a trigonal planar geometry to one N(13); one N(5,6,7,8,9,10,11); and one H(37,38,39,40,41,42,43,44) atom. The C(61)-N(13) bond length is 1.33 Å. The C(61)-N(5,6,7,8,9,10,11) bond length is 1.37 Å. The C(61)-H(37,38,39,40,41,42,43,44) bond length is 1.08 Å. In the thirty-fifth C site, C(62) is bonded in a trigonal planar geometry to one N(14); one N(5,6,7,8,9,10,11); and one H(37,38,39,40,41,42,43,44) atom. The C(62)-N(14) bond length is 1.33 Å. The C(62)-N(5,6,7,8,9,10,11) bond length is 1.37 Å. The C(62)-H(37,38,39,40,41,42,43,44) bond length is 1.08 Å. In the thirty-sixth C site, C(63,65,66,67) is bonded in a trigonal planar geometry to one N(15,16); one N(5,6,7,8,9,10,11); and one H(37,38,39,40,41,42,43,44) atom. The C(63,65,66,67)-N(15,16) bond length is 1.33 Å. The C(63,65,66,67)-N(5,6,7,8,9,10,11) bond length is 1.37 Å. The C(63,65,66,67)-H(37,38,39,40,41,42,43,44) bond length is 1.08 Å. In the thirty-seventh C site, C(64,68) is bonded in a trigonal planar geometry to one N(15,16); one N(5,6,7,8,9,10,11); and one H(37,38,39,40,41,42,43,44) atom. The C(64,68)-N(15,16) bond length is 1.33 Å. The C(64,68)-N(5,6,7,8,9,10,11) bond length is 1.37 Å. The C(64,68)-H(37,38,39,40,41,42,43,44) bond length is 1.08 Å. There are thirteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(1,3) and two equivalent C(25,26,30,31,32) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cd(2) and two equivalent C(27,28) atoms. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cd(1,3); one C(25,26,30,31,32); and one C(29) atom. The N(3)-Cd(1,3) bond length is 2.39 Å. The N(3)-C(25,26,30,31,32) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cd(4) and two equivalent C(25,26,30,31,32) atoms. Both N(4)-C(25,26,30,31,32) bond lengths are 1.34 Å. In the fifth N site, N(5,6,7,8,9,10,11) is bonded in a trigonal planar geometry to one C(33); one C(45,47,49,50,51); and one C(61) atom. In the sixth N site, N(12) is bonded in a trigonal planar geometry to one C(36,40); one C(46,48,52); and one C(64,68) atom. The N(12)-C(36,40) bond length is 1.42 Å. The N(12)-C(46,48,52) bond length is 1.39 Å. The N(12)-C(64,68) bond length is 1.37 Å. In the seventh N site, N(13) is bonded in a distorted trigonal planar geometry to one Cd(2); one C(53,54); and one C(61) atom. In the eighth N site, N(14) is bonded in a distorted trigonal planar geometry to one Cd(2); one C(53,54); and one C(62) atom. The N(14)-C(53,54) bond length is 1.38 Å. In the ninth N site, N(15,16) is bonded in a distorted trigonal planar geometry to one Cd(1,3); one C(55,56,57,58,59); and one C(63,65,66,67) atom. In the tenth N site, N(17) is bonded in a distorted trigonal planar geometry to one Cd(4); one C(55,56,57,58,59); and one C(63,65,66,67) atom. The N(17)-C(55,56,57,58,59) bond length is 1.38 Å. The N(17)-C(63,65,66,67) bond length is 1.33 Å. In the eleventh N site, N(18) is bonded in a distorted trigonal planar geometry to one Cd(4); one C(55,56,57,58,59); and one C(63,65,66,67) atom. The N(18)-C(55,56,57,58,59) bond length is 1.38 Å. The N(18)-C(63,65,66,67) bond length is 1.33 Å. In the twelfth N site, N(19) is bonded in a distorted trigonal planar geometry to one Cd(1,3); one C(55,56,57,58,59); and one C(63,65,66,67) atom. The N(19)-Cd(1,3) bond length is 2.38 Å. The N(19)-C(55,56,57,58,59) bond length is 1.38 Å. The N(19)-C(63,65,66,67) bond length is 1.33 Å. In the thirteenth N site, N(20) is bonded in a distorted trigonal planar geometry to one Cd(1,3); one C(60); and one C(64,68) atom. The N(20)-Cd(1,3) bond length is 2.38 Å. The N(20)-C(64,68) bond length is 1.33 Å. There are thirteen inequivalent H sites. In the first H site, H(1,5,7) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2,3,4,6,8) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(9) is bonded in a single-bond geometry to one C(25,26,30,31,32) atom. In the fourth H site, H(10) is bonded in a single-bond geometry to one C(25,26,30,31,32) atom. The H(10)-C(25,26,30,31,32) bond length is 1.09 Å. In the fifth H site, H(11,15) is bonded in a single-bond geometry to one C(27,28) atom. In the sixth H site, H(12,16) is bonded in a single-bond geometry to one C(27,28) atom. The H(12,16)-C(27,28) bond length is 1.09 Å. In the seventh H site, H(13,14) is bonded in a single-bond geometry to one C(29) atom. In the eighth H site, H(17,18,20) is bonded in a single-bond geometry to one C(41,42,43,44) atom. In the ninth H site, H(19) is bonded in a single-bond geometry to one C(41,42,43,44) atom. The H(19)-C(41,42,43,44) bond length is 1.09 Å. In the tenth H site, H(21,22,23,24,25,26,27) is bonded in a single-bond geometry to one C(45,47,49,50,51) atom. In the eleventh H site, H(28) is bonded in a single-bond geometry to one C(46,48,52) atom. The H(28)-C(46,48,52) bond length is 1.08 Å. In the twelfth H site, H(29,30,31,32,33,34,35,36) is bonded in a single-bond geometry to one C(53,54) atom. In the thirteenth H site, H(37,38,39,40,41,42,43,44) is bonded in a single-bond geometry to one C(61) atom. There are two inequivalent S sites. In the first S site, S(1,2,3) is bonded in an L-shaped geometry to one C(1) and one C(6) atom. In the second S site, S(4) is bonded in an L-shaped geometry to two equivalent C(4,7,8) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Cd(1,3) and one C(17) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cd(1,3) and one C(18,22) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cd(2) and one C(19) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cd(2) and one C(20) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cd(1,3) and one C(21,24) atom. The O(5)-Cd(1,3) bond length is 2.31 Å. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Cd(1,3) and one C(18,22) atom. The O(6)-Cd(1,3) bond length is 2.31 Å. The O(6)-C(18,22) bond length is 1.28 Å. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Cd(4) and one C(23) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Cd(4) and one C(21,24) atom. The O(8)-C(21,24) bond length is 1.28 Å. In the ninth O site, O(9) is bonded in a single-bond geometry to one Cd(1,3) and one C(17) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cd(1,3) and one C(18,22) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cd(2) and one C(19) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Cd(2) and one C(20) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Cd(1,3) and one C(21,24) atom. The O(13)-Cd(1,3) bond length is 2.64 Å. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Cd(1,3) and one C(18,22) atom. The O(14)-Cd(1,3) bond length is 2.64 Å. The O(14)-C(18,22) bond length is 1.27 Å. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Cd(4) and one C(23) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Cd(4) and one C(21,24) atom. The O(16)-C(21,24) bond length is 1.27 Å. Linkers: 4 c1cn(-c2cncc(-n3ccnc3)c2)cn1 ,4 [O]C(=O)c1cscc1C([O])=O. Metal clusters: 4 O=[C]O[Cd]O[C]=O. The MOF has largest included sphere 3.92 A, density 1.73 g/cm3, surface area 3842.78 m2/g, accessible volume 0.16 cm3/g