Co2C16N8H12S3O9(CH3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of sixteen 02329_fluka molecules inside a Co2C16N8H12S3O9 framework. In the Co2C16N8H12S3O9 framework, there are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(1), one N(11), one O(1), one O(14), and one O(17) atom to form CoN2O3 trigonal bipyramids that share  a cornercorner with one S(1)O4 tetrahedra and  a cornercorner with one S(3)O4 tetrahedra. The Co(1)-N(1) bond length is 2.06 Å. The Co(1)-N(11) bond length is 2.05 Å. The Co(1)-O(1) bond length is 2.06 Å. The Co(1)-O(14) bond length is 2.07 Å. The Co(1)-O(17) bond length is 2.08 Å. In the second Co site, Co(2) is bonded to one N(3), one N(5), one O(18), one O(2), and one O(5) atom to form distorted CoN2O3 trigonal bipyramids that share  a cornercorner with one S(1)O4 tetrahedra and  a cornercorner with one S(2)O4 tetrahedra. The Co(2)-N(3) bond length is 2.03 Å. The Co(2)-N(5) bond length is 2.04 Å. The Co(2)-O(18) bond length is 2.03 Å. The Co(2)-O(2) bond length is 2.06 Å. The Co(2)-O(5) bond length is 2.20 Å. In the third Co site, Co(3) is bonded to one N(15), one N(7), one O(6), and one O(9) atom to form CoN2O2 tetrahedra that share  a cornercorner with one S(2)O4 tetrahedra and  a cornercorner with one S(4)O4 tetrahedra. The Co(3)-N(15) bond length is 1.96 Å. The Co(3)-N(7) bond length is 1.97 Å. The Co(3)-O(6) bond length is 1.96 Å. The Co(3)-O(9) bond length is 1.94 Å. In the fourth Co site, Co(4) is bonded to one N(13), one N(9), one O(10), and one O(13) atom to form CoN2O2 tetrahedra that share  a cornercorner with one S(3)O4 tetrahedra and  a cornercorner with one S(4)O4 tetrahedra. The Co(4)-N(13) bond length is 1.99 Å. The Co(4)-N(9) bond length is 1.97 Å. The Co(4)-O(10) bond length is 1.99 Å. The Co(4)-O(13) bond length is 1.94 Å. There are thirty-two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(9) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(2) bond length is 1.35 Å. The C(1)-H(9) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(10) atom. The C(2)-N(3) bond length is 1.34 Å. The C(2)-N(4) bond length is 1.35 Å. The C(2)-H(10) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(11) atom. The C(3)-N(5) bond length is 1.34 Å. The C(3)-N(6) bond length is 1.35 Å. The C(3)-H(11) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(12) atom. The C(4)-N(7) bond length is 1.34 Å. The C(4)-N(8) bond length is 1.35 Å. The C(4)-H(12) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(10), one N(9), and one H(13) atom. The C(5)-N(10) bond length is 1.35 Å. The C(5)-N(9) bond length is 1.34 Å. The C(5)-H(13) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(14) atom. The C(6)-N(11) bond length is 1.34 Å. The C(6)-N(12) bond length is 1.35 Å. The C(6)-H(14) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(13), one N(14), and one H(15) atom. The C(7)-N(13) bond length is 1.34 Å. The C(7)-N(14) bond length is 1.35 Å. The C(7)-H(15) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(15), one N(16), and one H(16) atom. The C(8)-N(15) bond length is 1.34 Å. The C(8)-N(16) bond length is 1.34 Å. The C(8)-H(16) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(14), and one N(2) atom. The C(9)-C(10) bond length is 1.43 Å. The C(9)-C(14) bond length is 1.39 Å. The C(9)-N(2) bond length is 1.39 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(9), and one N(1) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-N(1) bond length is 1.40 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(17) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(17) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(13), and one N(4) atom. The C(12)-C(13) bond length is 1.43 Å. The C(12)-N(4) bond length is 1.39 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(14), and one N(3) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-N(3) bond length is 1.40 Å. In the fourteenth C site, C(14) is bonded in a single-bond geometry to one C(13), one C(9), and one H(18) atom. The C(14)-H(18) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one N(6) atom. The C(15)-C(16) bond length is 1.43 Å. The C(15)-N(6) bond length is 1.38 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(15), one C(17), and one N(5) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-N(5) bond length is 1.40 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16), one C(18), and one H(19) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-H(19) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a 3-coordinate geometry to one C(17), one C(19), and one N(8) atom. The C(18)-C(19) bond length is 1.43 Å. The C(18)-N(8) bond length is 1.39 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18), one C(20), and one N(7) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-N(7) bond length is 1.40 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(19) and one H(20) atom. The C(20)-H(20) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(22), one C(26), and one N(10) atom. The C(21)-C(22) bond length is 1.43 Å. The C(21)-C(26) bond length is 1.40 Å. The C(21)-N(10) bond length is 1.39 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21) and one N(9) atom. The C(22)-N(9) bond length is 1.40 Å. In the twenty-third C site, C(23) is bonded in a distorted single-bond geometry to one C(24) and one H(21) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-H(21) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(23), one C(25), and one N(12) atom. The C(24)-C(25) bond length is 1.43 Å. The C(24)-N(12) bond length is 1.38 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(24), one C(26), and one N(11) atom. The C(25)-C(26) bond length is 1.40 Å. The C(25)-N(11) bond length is 1.40 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(21), one C(25), and one H(22) atom. The C(26)-H(22) bond length is 1.09 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(28), one C(32), and one N(13) atom. The C(27)-C(28) bond length is 1.43 Å. The C(27)-C(32) bond length is 1.40 Å. The C(27)-N(13) bond length is 1.40 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one N(14) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-N(14) bond length is 1.38 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one H(23) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-H(23) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(29), one C(31), and one N(15) atom. The C(30)-C(31) bond length is 1.43 Å. The C(30)-N(15) bond length is 1.39 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(30), one C(32), and one N(16) atom. The C(31)-C(32) bond length is 1.39 Å. The C(31)-N(16) bond length is 1.39 Å. In the thirty-second C site, C(32) is bonded in a distorted single-bond geometry to one C(27), one C(31), and one H(24) atom. The C(32)-H(24) bond length is 1.09 Å. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1), one C(1), and one C(10) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(9), and one H(1) atom. The N(2)-H(1) bond length is 1.04 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(2), one C(13), and one C(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(12), one C(2), and one H(2) atom. The N(4)-H(2) bond length is 1.04 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(2), one C(16), and one C(3) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one C(15), one C(3), and one H(3) atom. The N(6)-H(3) bond length is 1.04 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Co(3), one C(19), and one C(4) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(18), one C(4), and one H(4) atom. The N(8)-H(4) bond length is 1.04 Å. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Co(4), one C(22), and one C(5) atom. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one C(21), one C(5), and one H(5) atom. The N(10)-H(5) bond length is 1.04 Å. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Co(1), one C(25), and one C(6) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one C(24), one C(6), and one H(6) atom. The N(12)-H(6) bond length is 1.05 Å. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one Co(4), one C(27), and one C(7) atom. In the fourteenth N site, N(14) is bonded in a trigonal planar geometry to one C(28), one C(7), and one H(7) atom. The N(14)-H(7) bond length is 1.04 Å. In the fifteenth N site, N(15) is bonded in a trigonal planar geometry to one Co(3), one C(30), and one C(8) atom. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one C(31), one C(8), and one H(8) atom. The N(16)-H(8) bond length is 1.04 Å. There are twenty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to one N(4) and one O(7) atom. The H(2)-O(7) bond length is 1.72 Å. In the third H site, H(3) is bonded in a distorted linear geometry to one N(6) and one O(15) atom. The H(3)-O(15) bond length is 1.67 Å. In the fourth H site, H(4) is bonded in a linear geometry to one N(8) and one O(12) atom. The H(4)-O(12) bond length is 1.69 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(10) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one N(12) and one O(3) atom. The H(6)-O(3) bond length is 1.65 Å. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one N(14) atom. In the eighth H site, H(8) is bonded in a distorted bent 150 degrees geometry to one N(16) and one O(4) atom. The H(8)-O(4) bond length is 1.70 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(1) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(2) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(3) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(4) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(5) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(6) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(7) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(8) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(11) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(14) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(17) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(20) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(23) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(26) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(29) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(32) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)N2O3 trigonal bipyramid and  a cornercorner with one Co(2)N2O3 trigonal bipyramid. The S(1)-O(1) bond length is 1.50 Å. The S(1)-O(2) bond length is 1.50 Å. The S(1)-O(3) bond length is 1.48 Å. The S(1)-O(4) bond length is 1.49 Å. In the second S site, S(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Co(3)N2O2 tetrahedra and  a cornercorner with one Co(2)N2O3 trigonal bipyramid. The S(2)-O(5) bond length is 1.49 Å. The S(2)-O(6) bond length is 1.53 Å. The S(2)-O(7) bond length is 1.48 Å. The S(2)-O(8) bond length is 1.48 Å. In the third S site, S(3) is bonded to one O(13), one O(14), one O(15), and one O(16) atom to form SO4 tetrahedra that share  a cornercorner with one Co(4)N2O2 tetrahedra and  a cornercorner with one Co(1)N2O3 trigonal bipyramid. The S(3)-O(13) bond length is 1.53 Å. The S(3)-O(14) bond length is 1.49 Å. The S(3)-O(15) bond length is 1.48 Å. The S(3)-O(16) bond length is 1.48 Å. In the fourth S site, S(4) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Co(3)N2O2 tetrahedra and  a cornercorner with one Co(4)N2O2 tetrahedra. The S(4)-O(10) bond length is 1.52 Å. The S(4)-O(11) bond length is 1.47 Å. The S(4)-O(12) bond length is 1.48 Å. The S(4)-O(9) bond length is 1.51 Å. In the fifth S site, S(5) is bonded in a distorted single-bond geometry to one O(17) atom. The S(5)-O(17) bond length is 1.54 Å. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one O(18) atom. The S(6)-O(18) bond length is 1.54 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one H(6) and one S(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one H(8) and one S(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(2) and one S(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(3) and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one H(2) and one S(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(3) and one S(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(4) and one S(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one S(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one H(4) and one S(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Co(4) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Co(1) and one S(3) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one H(3) and one S(3) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one S(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(1) and one S(5) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(2) and one S(6) atom. Linkers: 16 c1nc2cc3[nH]cnc3cc2[nH]1. Metal clusters: 16 [Co]. The MOF has largest included sphere 4.92 A, density 1.66 g/cm3, surface area 3595.07 m2/g, accessible volume 0.19 cm3/g