CoC23H13(N5S)2(CH)3 crystallizes in the trigonal P3c1 space group. The structure consists of eighteen 02329_fluka molecules inside a CoC23H13(N5S)2 framework. In the CoC23H13(N5S)2 framework, Co(1) is bonded in an octahedral geometry to one N(1), one N(10), one N(2), one N(3), one N(4), and one N(5) atom. The Co(1)-N(1) bond length is 2.08 Å. The Co(1)-N(10) bond length is 2.13 Å. The Co(1)-N(2) bond length is 2.07 Å. The Co(1)-N(3) bond length is 2.15 Å. The Co(1)-N(4) bond length is 2.23 Å. The Co(1)-N(5) bond length is 2.22 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a single-bond geometry to one N(1) and one S(1) atom. The C(1)-N(1) bond length is 1.15 Å. The C(1)-S(1) bond length is 1.60 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2) and one S(2) atom. The C(2)-N(2) bond length is 1.19 Å. The C(2)-S(2) bond length is 1.61 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(1) atom. The C(3)-N(3) bond length is 1.36 Å. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one H(3) atom. The C(5)-C(6) bond length is 1.36 Å. The C(5)-H(3) bond length is 0.95 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one C(19), one C(5), and one C(7) atom. The C(6)-C(19) bond length is 1.45 Å. The C(6)-C(7) bond length is 1.44 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(6), one N(3), and one H(4) atom. The C(7)-N(3) bond length is 1.35 Å. The C(7)-H(4) bond length is 0.95 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(5) atom. The C(8)-N(4) bond length is 1.33 Å. The C(8)-H(5) bond length is 0.95 Å. In the eighth C site, C(10) is bonded in a distorted single-bond geometry to one C(11) and one H(7) atom. The C(10)-C(11) bond length is 1.38 Å. The C(10)-H(7) bond length is 0.95 Å. In the ninth C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(20) atom. The C(11)-C(12) bond length is 1.41 Å. The C(11)-C(20) bond length is 1.51 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(4), and one H(8) atom. The C(12)-N(4) bond length is 1.32 Å. The C(12)-H(8) bond length is 0.95 Å. In the eleventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(9) atom. The C(13)-N(5) bond length is 1.39 Å. The C(13)-H(9) bond length is 0.95 Å. In the twelfth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(11) atom. The C(15)-C(16) bond length is 1.41 Å. The C(15)-H(11) bond length is 0.95 Å. In the thirteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(18) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-C(18) bond length is 1.44 Å. In the fourteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(5), and one H(12) atom. The C(17)-N(5) bond length is 1.40 Å. The C(17)-H(12) bond length is 0.95 Å. In the fifteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(6), and one N(9) atom. The C(18)-N(6) bond length is 1.34 Å. The C(18)-N(9) bond length is 1.29 Å. In the sixteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(6) and two equivalent N(7) atoms. There is one shorter (1.35 Å) and one longer (1.36 Å) C(19)-N(7) bond length. In the seventeenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(11), one N(8), and one N(9) atom. The C(20)-N(8) bond length is 1.38 Å. The C(20)-N(9) bond length is 1.28 Å. In the eighteenth C site, C(21) is bonded in a trigonal planar geometry to one C(22), one C(23), and one C(25) atom. The C(21)-C(22) bond length is 1.26 Å. The C(21)-C(23) bond length is 1.48 Å. The C(21)-C(25) bond length is 1.51 Å. In the nineteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(10), and one H(13) atom. The C(22)-N(10) bond length is 1.35 Å. The C(22)-H(13) bond length is 0.95 Å. In the twentieth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(21), one N(6), and one N(8) atom. The C(23)-N(6) bond length is 1.44 Å. The C(23)-N(8) bond length is 1.35 Å. In the twenty-first C site, C(24) is bonded in a distorted single-bond geometry to one C(25), one C(26), and one H(14) atom. The C(24)-C(25) bond length is 1.48 Å. The C(24)-C(26) bond length is 1.36 Å. The C(24)-H(14) bond length is 0.95 Å. In the twenty-second C site, C(25) is bonded in a distorted single-bond geometry to one C(21), one C(24), and one H(15) atom. The C(25)-H(15) bond length is 0.95 Å. In the twenty-third C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(10), and one H(16) atom. The C(26)-N(10) bond length is 1.50 Å. The C(26)-H(16) bond length is 0.95 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Co(1) and one C(1) atom. In the second N site, N(2) is bonded in a linear geometry to one Co(1) and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(1), one C(3), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Co(1), one C(12), and one C(8) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(1), one C(13), and one C(17) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(18) and one C(23) atom. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to two equivalent C(19) atoms. In the eighth N site, N(8) is bonded in a water-like geometry to one C(20) and one C(23) atom. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one C(18) and one C(20) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Co(1), one C(22), and one C(26) atom. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) 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(7) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(22) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(25) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(26) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one C(1) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(2) atom. Linkers: 9 c1ccc(cn1)C1=NC(=[N]=C([N]1)c1cccnc1)c1cccnc1. Metal clusters: 6 [Co]. The MOF has largest included sphere 6.50 A, density 0.92 g/cm3, surface area 4791.49 m2/g, accessible volume 0.57 cm3/g