CoC20H12(N4S)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CoC20H12(N4S)2 clusters. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a square pyramidal geometry to one N(1), one N(11), one N(2), one N(6), and one N(7) atom. The Co(1)-N(1) bond length is 2.09 Å. The Co(1)-N(11) bond length is 2.15 Å. The Co(1)-N(2) bond length is 2.09 Å. The Co(1)-N(6) bond length is 2.17 Å. The Co(1)-N(7) bond length is 2.18 Å. In the second Co site, Co(2) is bonded in a square pyramidal geometry to one N(12), one N(13), one N(3), one N(4), and one N(5) atom. The Co(2)-N(12) bond length is 2.19 Å. The Co(2)-N(13) bond length is 2.19 Å. The Co(2)-N(3) bond length is 2.07 Å. The Co(2)-N(4) bond length is 2.06 Å. The Co(2)-N(5) bond length is 2.16 Å. There are forty inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one N(1) and one S(3) atom. The C(1)-N(1) bond length is 1.17 Å. The C(1)-S(3) bond length is 1.61 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2) and one S(4) atom. The C(2)-N(2) bond length is 1.16 Å. The C(2)-S(4) bond length is 1.64 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one N(3) and one S(1) atom. The C(3)-N(3) bond length is 1.15 Å. The C(3)-S(1) bond length is 1.64 Å. In the fourth C site, C(4) is bonded in a single-bond geometry to one N(4) and one S(2) atom. The C(4)-N(4) bond length is 1.14 Å. The C(4)-S(2) bond length is 1.63 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(1) atom. The C(5)-N(5) bond length is 1.35 Å. The C(5)-H(1) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(2) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(2) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(20), one C(6), and one C(8) atom. The C(7)-C(20) bond length is 1.50 Å. The C(7)-C(8) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(3) atom. The C(8)-H(3) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(4) atom. The C(9)-N(5) bond length is 1.34 Å. The C(9)-H(4) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(6), and one H(5) atom. The C(10)-C(11) bond length is 1.38 Å. The C(10)-N(6) bond length is 1.34 Å. The C(10)-H(5) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one H(6) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(6) bond length is 0.95 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(21) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-C(21) bond length is 1.49 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 H(7) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(7) bond length is 0.95 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(6), and one H(8) atom. The C(14)-N(6) bond length is 1.35 Å. The C(14)-H(8) bond length is 0.95 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(9) atom. The C(15)-N(7) bond length is 1.33 Å. The C(15)-H(9) bond length is 0.95 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(17) and one H(10,11) atom. The C(16)-C(17) bond length is 1.38 Å. The C(16)-H(10,11) bond length is 0.95 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(22) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-C(22) bond length is 1.49 Å. In the eighteenth C site, C(18) is bonded in a single-bond geometry to one C(17) and one H(10,11) atom. The C(18)-H(10,11) bond length is 0.95 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(12) atom. The C(19)-N(7) bond length is 1.35 Å. The C(19)-H(12) bond length is 0.95 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(7), one N(8), and one N(9) atom. The C(20)-N(8) bond length is 1.34 Å. The C(20)-N(9) bond length is 1.33 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(12), one N(10), and one N(8) atom. The C(21)-N(10) bond length is 1.34 Å. The C(21)-N(8) bond length is 1.33 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal planar geometry to one C(17), one N(10), and one N(9) atom. The C(22)-N(10) bond length is 1.34 Å. The C(22)-N(9) bond length is 1.34 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(13) atom. The C(23)-N(11) bond length is 1.35 Å. The C(23)-H(13) bond length is 0.95 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(25) and one H(14) atom. The C(24)-C(25) bond length is 1.40 Å. The C(24)-H(14) bond length is 0.95 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(38) atom. The C(25)-C(26) bond length is 1.39 Å. The C(25)-C(38) bond length is 1.47 Å. In the twenty-sixth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(25), one C(27), and one H(15) atom. The C(26)-C(27) bond length is 1.38 Å. The C(26)-H(15) bond length is 0.95 Å. In the twenty-seventh C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(26), one N(11), and one H(16) atom. The C(27)-N(11) bond length is 1.35 Å. The C(27)-H(16) bond length is 0.95 Å. In the twenty-eighth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(29), one N(12), and one H(17) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-N(12) bond length is 1.33 Å. The C(28)-H(17) bond length is 0.95 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(28), one C(30), and one H(18) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-H(18) bond length is 0.95 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one C(29), one C(31), and one C(39) atom. The C(30)-C(31) bond length is 1.38 Å. The C(30)-C(39) bond length is 1.49 Å. In the thirty-first C site, C(31) is bonded in a distorted trigonal planar geometry to one C(30), one C(32), and one H(19) atom. The C(31)-C(32) bond length is 1.38 Å. The C(31)-H(19) bond length is 0.95 Å. In the thirty-second C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(31), one N(12), and one H(20) atom. The C(32)-N(12) bond length is 1.34 Å. The C(32)-H(20) bond length is 0.95 Å. In the thirty-third C site, C(33) is bonded in a distorted bent 120 degrees geometry to one N(13) and one H(21) atom. The C(33)-N(13) bond length is 1.34 Å. The C(33)-H(21) bond length is 0.95 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(35) and one H(22) atom. The C(34)-C(35) bond length is 1.39 Å. The C(34)-H(22) bond length is 0.95 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(40) atom. The C(35)-C(36) bond length is 1.38 Å. The C(35)-C(40) bond length is 1.49 Å. In the thirty-sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(35) and one H(23) atom. The C(36)-H(23) bond length is 0.95 Å. In the thirty-seventh C site, C(37) is bonded in a distorted bent 120 degrees geometry to one N(13) and one H(24) atom. The C(37)-N(13) bond length is 1.33 Å. The C(37)-H(24) bond length is 0.95 Å. In the thirty-eighth C site, C(38) is bonded in a distorted trigonal planar geometry to one C(25), one N(14), and one N(16) atom. The C(38)-N(14) bond length is 1.35 Å. The C(38)-N(16) bond length is 1.34 Å. In the thirty-ninth C site, C(39) is bonded in a distorted trigonal planar geometry to one C(30), one N(14), and one N(15) atom. The C(39)-N(14) bond length is 1.33 Å. The C(39)-N(15) bond length is 1.33 Å. In the fortieth C site, C(40) is bonded in a distorted trigonal planar geometry to one C(35), one N(15), and one N(16) atom. The C(40)-N(15) bond length is 1.33 Å. The C(40)-N(16) bond length is 1.34 Å. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Co(1) and one C(1) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Co(1) and one C(2) atom. In the third N site, N(3) is bonded in a linear geometry to one Co(2) and one C(3) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Co(2) and one C(4) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(2), one C(5), and one C(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Co(1), one C(10), and one C(14) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Co(1), one C(15), and one C(19) atom. In the eighth N site, N(8) is bonded in a bent 120 degrees geometry to one C(20) and one C(21) atom. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one C(20) and one C(22) atom. In the tenth N site, N(10) is bonded in a bent 120 degrees geometry to one C(21) and one C(22) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Co(1), one C(23), and one C(27) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Co(2), one C(28), and one C(32) atom. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one Co(2), one C(33), and one C(37) atom. In the fourteenth N site, N(14) is bonded in a bent 120 degrees geometry to one C(38) and one C(39) atom. In the fifteenth N site, N(15) is bonded in a bent 120 degrees geometry to one C(39) and one C(40) atom. In the sixteenth N site, N(16) is bonded in a bent 120 degrees geometry to one C(38) and one C(40) atom. There are twenty-three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(10,11) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(23) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(24) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(26) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(27) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(28) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(29) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(31) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(32) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(33) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(34) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(36) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(37) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one C(3) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(4) atom. In the third S site, S(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth S site, S(4) is bonded in a single-bond geometry to one C(2) atom. Linkers: 8 n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1. Metal clusters: 8 [Co]. The MOF has largest included sphere 6.15 A, density 0.79 g/cm3, surface area 4756.24 m2/g, accessible volume 0.74 cm3/g