Co2C42H56S3(N9O2)2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(1), one N(15), one N(17), one N(3), one N(5), and one O(2) atom to form CoN5O octahedra that share  a cornercorner with one S(1)O4 tetrahedra. The Co(1)-N(1) bond length is 2.19 Å. The Co(1)-N(15) bond length is 2.15 Å. The Co(1)-N(17) bond length is 2.06 Å. The Co(1)-N(3) bond length is 2.22 Å. The Co(1)-N(5) bond length is 2.17 Å. The Co(1)-O(2) bond length is 2.17 Å. In the second Co site, Co(2) is bonded to one N(12), one N(14), one N(18), one N(7), one N(9), and one O(1) atom to form CoN5O octahedra that share  a cornercorner with one S(1)O4 tetrahedra. The Co(2)-N(12) bond length is 2.19 Å. The Co(2)-N(14) bond length is 2.17 Å. The Co(2)-N(18) bond length is 2.04 Å. The Co(2)-N(7) bond length is 2.19 Å. The Co(2)-N(9) bond length is 2.17 Å. The Co(2)-O(1) bond length is 2.15 Å. There are forty-two inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one N(1) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(5) bond length is 1.48 Å. The C(1)-N(1) bond length is 1.34 Å. In the second 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 1.39 Å. The C(2)-C(7) bond length is 1.48 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one N(2) atom. The C(3)-C(4) bond length is 1.50 Å. The C(3)-N(2) bond length is 1.35 Å. In the fourth C site, C(4) is bonded in a trigonal non-coplanar geometry to one C(3); one H(9); and two equivalent H(10,11) atoms. The C(4)-H(9) bond length is 0.96 Å. Both C(4)-H(10,11) bond lengths are 0.96 Å. In the fifth C site, C(5) is bonded in a trigonal non-coplanar geometry to one C(1); one H(12); and two equivalent H(13,14) atoms. The C(5)-H(12) bond length is 0.96 Å. Both C(5)-H(13,14) bond lengths are 0.96 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(10), one C(7), and one N(4) atom. The C(6)-C(10) bond length is 1.50 Å. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(4) bond length is 1.34 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one N(3) atom. The C(8)-C(9) bond length is 1.50 Å. The C(8)-N(3) bond length is 1.33 Å. In the ninth C site, C(9) is bonded in a trigonal non-coplanar geometry to one C(8); one H(17); and two equivalent H(15,16) atoms. The C(9)-H(17) bond length is 0.96 Å. Both C(9)-H(15,16) bond lengths are 0.96 Å. In the tenth C site, C(10) is bonded in a trigonal non-coplanar geometry to one C(6); one H(18); and two equivalent H(19,20) atoms. The C(10)-H(18) bond length is 0.96 Å. Both C(10)-H(19,20) bond lengths are 0.96 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one C(15), and one N(6) atom. The C(11)-C(12) bond length is 1.36 Å. The C(11)-C(15) bond length is 1.49 Å. The C(11)-N(6) bond length is 1.35 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(17) atom. The C(12)-C(13) bond length is 1.41 Å. The C(12)-C(17) bond length is 1.47 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one N(5) atom. The C(13)-C(14) bond length is 1.50 Å. The C(13)-N(5) bond length is 1.34 Å. In the fourteenth C site, C(14) is bonded in a trigonal non-coplanar geometry to one C(13) and three equivalent H(21,22,23) atoms. All C(14)-H(21,22,23) bond lengths are 0.96 Å. In the fifteenth C site, C(15) is bonded in a trigonal non-coplanar geometry to one C(11); one H(25); and two equivalent H(24,26) atoms. The C(15)-H(25) bond length is 0.96 Å. Both C(15)-H(24,26) bond lengths are 0.96 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(17), one C(20), and one N(8) atom. The C(16)-C(17) bond length is 1.40 Å. The C(16)-C(20) bond length is 1.49 Å. The C(16)-N(8) bond length is 1.34 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(18) atom. The C(17)-C(18) bond length is 1.41 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one N(7) atom. The C(18)-C(19) bond length is 1.49 Å. The C(18)-N(7) bond length is 1.32 Å. In the nineteenth C site, C(19) is bonded in a trigonal non-coplanar geometry to one C(18), one H(27), one H(28), and one H(29) atom. The C(19)-H(27) bond length is 0.96 Å. The C(19)-H(28) bond length is 0.96 Å. The C(19)-H(29) bond length is 0.96 Å. In the twentieth C site, C(20) is bonded in a trigonal non-coplanar geometry to one C(16); one H(31); and two equivalent H(30,32) atoms. The C(20)-H(31) bond length is 0.96 Å. Both C(20)-H(30,32) bond lengths are 0.96 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(22), one C(25), and one N(9) atom. The C(21)-C(22) bond length is 1.41 Å. The C(21)-C(25) bond length is 1.47 Å. The C(21)-N(9) bond length is 1.33 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(27) atom. The C(22)-C(23) bond length is 1.37 Å. The C(22)-C(27) bond length is 1.47 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(22), one C(24), and one N(10) atom. The C(23)-C(24) bond length is 1.48 Å. The C(23)-N(10) bond length is 1.35 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal non-coplanar geometry to one C(23); one H(35); and two equivalent H(33,34) atoms. The C(24)-H(35) bond length is 0.96 Å. Both C(24)-H(33,34) bond lengths are 0.96 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal non-coplanar geometry to one C(21); one H(36); and two equivalent H(37,38) atoms. The C(25)-H(36) bond length is 0.96 Å. Both C(25)-H(37,38) bond lengths are 0.96 Å. In the twenty-sixth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(27), one C(30), and one N(11) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-C(30) bond length is 1.48 Å. The C(26)-N(11) bond length is 1.35 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(22), one C(26), and one C(28) atom. The C(27)-C(28) bond length is 1.41 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(12) atom. The C(28)-C(29) bond length is 1.49 Å. The C(28)-N(12) bond length is 1.34 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal non-coplanar geometry to one C(28) and three equivalent H(39,40,41) atoms. All C(29)-H(39,40,41) bond lengths are 0.96 Å. In the thirtieth C site, C(30) is bonded in a trigonal non-coplanar geometry to one C(26); one H(42); and two equivalent H(43,44) atoms. The C(30)-H(42) bond length is 0.96 Å. Both C(30)-H(43,44) bond lengths are 0.96 Å. In the thirty-first C site, C(31) is bonded in a distorted trigonal planar geometry to one C(32), one C(35), and one N(13) atom. The C(31)-C(32) bond length is 1.40 Å. The C(31)-C(35) bond length is 1.48 Å. The C(31)-N(13) bond length is 1.35 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(37) atom. The C(32)-C(33) bond length is 1.41 Å. The C(32)-C(37) bond length is 1.47 Å. In the thirty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(32), one C(34), and one N(14) atom. The C(33)-C(34) bond length is 1.49 Å. The C(33)-N(14) bond length is 1.33 Å. In the thirty-fourth C site, C(34) is bonded in a trigonal non-coplanar geometry to one C(33); one H(47); and two equivalent H(45,46) atoms. The C(34)-H(47) bond length is 0.96 Å. Both C(34)-H(45,46) bond lengths are 0.96 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal non-coplanar geometry to one C(31), one H(48), one H(49), and one H(50) atom. The C(35)-H(48) bond length is 0.96 Å. The C(35)-H(49) bond length is 0.96 Å. The C(35)-H(50) bond length is 0.96 Å. In the thirty-sixth C site, C(36) is bonded in a distorted trigonal planar geometry to one C(37), one C(40), and one N(16) atom. The C(36)-C(37) bond length is 1.38 Å. The C(36)-C(40) bond length is 1.49 Å. The C(36)-N(16) bond length is 1.34 Å. In the thirty-seventh C site, C(37) is bonded in a trigonal planar geometry to one C(32), one C(36), and one C(38) atom. The C(37)-C(38) bond length is 1.42 Å. In the thirty-eighth C site, C(38) is bonded in a distorted single-bond geometry to one C(37), one C(39), and one N(15) atom. The C(38)-C(39) bond length is 1.48 Å. The C(38)-N(15) bond length is 1.33 Å. In the thirty-ninth C site, C(39) is bonded in a trigonal non-coplanar geometry to one C(38) and three equivalent H(51,52,53) atoms. All C(39)-H(51,52,53) bond lengths are 0.96 Å. In the fortieth C site, C(40) is bonded in a trigonal non-coplanar geometry to one C(36) and three equivalent H(54,55,56) atoms. All C(40)-H(54,55,56) bond lengths are 0.96 Å. In the forty-first C site, C(41) is bonded in a distorted single-bond geometry to one N(18) and one S(3) atom. The C(41)-N(18) bond length is 1.13 Å. The C(41)-S(3) bond length is 1.64 Å. In the forty-second C site, C(42) is bonded in a distorted single-bond geometry to one N(17) and one S(2) atom. The C(42)-N(17) bond length is 1.16 Å. The C(42)-S(2) bond length is 1.62 Å. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Co(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one C(3), one N(1), and one H(1) atom. The N(2)-H(1) bond length is 0.86 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Co(1), one C(8), and one N(4) atom. The N(3)-N(4) bond length is 1.36 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one C(6), one N(3), and one H(2) atom. The N(4)-H(2) bond length is 0.86 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Co(1), one C(13), 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 1-coordinate geometry to one C(11), one N(5), and one H(3) atom. The N(6)-H(3) bond length is 0.86 Å. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Co(2), one C(18), and one N(8) atom. The N(7)-N(8) bond length is 1.35 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one C(16), one N(7), and one H(4) atom. The N(8)-H(4) bond length is 0.86 Å. In the ninth N site, N(9) is bonded in a 3-coordinate geometry to one Co(2), one C(21), and one N(10) atom. The N(9)-N(10) bond length is 1.35 Å. In the tenth N site, N(10) is bonded in a 1-coordinate geometry to one C(23), one N(9), and one H(5) atom. The N(10)-H(5) bond length is 0.86 Å. In the eleventh N site, N(11) is bonded in a 1-coordinate geometry to one C(26), one N(12), and one H(6) atom. The N(11)-N(12) bond length is 1.36 Å. The N(11)-H(6) bond length is 0.86 Å. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Co(2), one C(28), and one N(11) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one C(31), one N(14), and one H(7) atom. The N(13)-N(14) bond length is 1.33 Å. The N(13)-H(7) bond length is 0.86 Å. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one Co(2), one C(33), and one N(13) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Co(1), one C(38), and one N(16) atom. The N(15)-N(16) bond length is 1.36 Å. In the sixteenth N site, N(16) is bonded in a 1-coordinate geometry to one C(36), one N(15), and one H(8) atom. The N(16)-H(8) bond length is 0.86 Å. In the seventeenth N site, N(17) is bonded in a distorted linear geometry to one Co(1) and one C(42) atom. In the eighteenth N site, N(18) is bonded in a linear geometry to one Co(2) and one C(41) atom. There are thirty-eight 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 single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(8) atom. 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 single-bond geometry to one N(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(4) atom. In the tenth H site, H(10,11) is bonded in a single-bond geometry to one C(4) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(5) atom. In the twelfth H site, H(13,14) is bonded in a single-bond geometry to one C(5) atom. In the thirteenth H site, H(15,16) is bonded in a single-bond geometry to one C(9) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(9) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(10) atom. In the sixteenth H site, H(19,20) is bonded in a single-bond geometry to one C(10) atom. In the seventeenth H site, H(21,22,23) is bonded in a single-bond geometry to one C(14) atom. In the eighteenth H site, H(24,26) is bonded in a single-bond geometry to one C(15) atom. In the nineteenth H site, H(25) is bonded in a single-bond geometry to one C(15) atom. In the twentieth H site, H(27) is bonded in a single-bond geometry to one C(19) atom. In the twenty-first H site, H(28) is bonded in a single-bond geometry to one C(19) atom. In the twenty-second H site, H(29) is bonded in a single-bond geometry to one C(19) atom. In the twenty-third H site, H(30,32) is bonded in a single-bond geometry to one C(20) atom. In the twenty-fourth H site, H(31) is bonded in a single-bond geometry to one C(20) atom. In the twenty-fifth H site, H(33,34) is bonded in a single-bond geometry to one C(24) atom. In the twenty-sixth H site, H(35) is bonded in a single-bond geometry to one C(24) atom. In the twenty-seventh H site, H(36) is bonded in a single-bond geometry to one C(25) atom. In the twenty-eighth H site, H(37,38) is bonded in a single-bond geometry to one C(25) atom. In the twenty-ninth H site, H(39,40,41) is bonded in a single-bond geometry to one C(29) atom. In the thirtieth H site, H(42) is bonded in a single-bond geometry to one C(30) atom. In the thirty-first H site, H(43,44) is bonded in a single-bond geometry to one C(30) atom. In the thirty-second H site, H(45,46) is bonded in a single-bond geometry to one C(34) atom. In the thirty-third H site, H(47) is bonded in a single-bond geometry to one C(34) atom. In the thirty-fourth H site, H(48) is bonded in a single-bond geometry to one C(35) atom. In the thirty-fifth H site, H(49) is bonded in a single-bond geometry to one C(35) atom. In the thirty-sixth H site, H(50) is bonded in a single-bond geometry to one C(35) atom. In the thirty-seventh H site, H(51,52,53) is bonded in a single-bond geometry to one C(39) atom. In the thirty-eighth H site, H(54,55,56) is bonded in a single-bond geometry to one C(40) atom. There are three 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)N5O octahedra and  a cornercorner with one Co(2)N5O octahedra. The corner-sharing octahedral tilt angles range from 41-44°. The S(1)-O(1) bond length is 1.47 Å. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.46 Å. The S(1)-O(4) bond length is 1.47 Å. In the second S site, S(2) is bonded in a single-bond geometry to one C(42) atom. In the third S site, S(3) is bonded in a single-bond geometry to one C(41) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. Linkers: 16 Cc1n[nH]c(C)c1-c1c(C)n[nH]c1C. Metal clusters: 8 [Co]. The MOF has largest included sphere 4.84 A, density 1.10 g/cm3, surface area 4965.73 m2/g, accessible volume 0.34 cm3/g