CoH16(C12N5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(14), and two equivalent N(4) atoms. Both Co(1)-N(1) bond lengths are 2.02 Å. Both Co(1)-N(14) bond lengths are 2.24 Å. Both Co(1)-N(4) bond lengths are 1.89 Å. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent N(15), two equivalent N(2), and two equivalent N(5) atoms. Both Co(2)-N(15) bond lengths are 2.24 Å. Both Co(2)-N(2) bond lengths are 2.02 Å. Both Co(2)-N(5) bond lengths are 1.89 Å. In the third Co site, Co(3) is bonded in an octahedral geometry to two equivalent N(13), two equivalent N(3), and two equivalent N(6) atoms. Both Co(3)-N(13) bond lengths are 2.24 Å. Both Co(3)-N(3) bond lengths are 2.02 Å. Both Co(3)-N(6) bond lengths are 1.89 Å. There are twenty-eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(4,6); one N(1); and one H(1,3) atom. The C(1)-C(4,6) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1,3) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one H(2) atom. The C(2)-C(5) bond length is 1.40 Å. The C(2)-N(2) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4,6); one N(3); and one H(1,3) atom. The C(3)-C(4,6) bond length is 1.40 Å. The C(3)-N(3) bond length is 1.35 Å. The C(3)-H(1,3) bond length is 1.09 Å. In the fourth C site, C(4,6) is bonded in a distorted trigonal planar geometry to one C(1), one C(7), and one H(4) atom. The C(4,6)-C(7) bond length is 1.40 Å. The C(4,6)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(2), one C(8), and one H(5) atom. The C(5)-C(8) bond length is 1.40 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(10,12); one C(4,6); and one H(7,8,9) atom. The C(7)-C(10,12) bond length is 1.39 Å. The C(7)-H(7,8,9) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(11); one C(5); and one H(7,8,9) atom. The C(8)-C(11) bond length is 1.39 Å. The C(8)-H(7,8,9) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10,12); one C(4,6); and one H(7,8,9) atom. The C(9)-C(10,12) bond length is 1.39 Å. The C(9)-C(4,6) bond length is 1.40 Å. The C(9)-H(7,8,9) bond length is 1.09 Å. In the ninth C site, C(10,12) is bonded in a distorted single-bond geometry to one C(13); one C(7); and one H(10,12) atom. The C(10,12)-C(13) bond length is 1.40 Å. The C(10,12)-H(10,12) bond length is 1.09 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(14), one C(8), and one H(11) atom. The C(11)-C(14) bond length is 1.40 Å. The C(11)-H(11) bond length is 1.09 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(10,12); one C(16,18); and one N(1) atom. The C(13)-C(16,18) bond length is 1.44 Å. The C(13)-N(1) bond length is 1.37 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(11), one C(17), and one N(2) atom. The C(14)-C(17) bond length is 1.44 Å. The C(14)-N(2) bond length is 1.37 Å. In the thirteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(10,12); one C(16,18); and one N(3) atom. The C(15)-C(10,12) bond length is 1.40 Å. The C(15)-C(16,18) bond length is 1.44 Å. The C(15)-N(3) bond length is 1.37 Å. In the fourteenth C site, C(16,18) is bonded in a 2-coordinate geometry to one C(13); one N(10,11,12); and one N(4) atom. The C(16,18)-N(10,11,12) bond length is 1.34 Å. The C(16,18)-N(4) bond length is 1.36 Å. In the fifteenth C site, C(17) is bonded in a 2-coordinate geometry to one C(14); one N(10,11,12); and one N(5) atom. The C(17)-N(10,11,12) bond length is 1.34 Å. The C(17)-N(5) bond length is 1.36 Å. In the sixteenth C site, C(19,20,21) is bonded in a distorted trigonal planar geometry to one C(22); one N(10,11,12); and one N(7,8,9) atom. The C(19,20,21)-C(22) bond length is 1.45 Å. The C(19,20,21)-N(10,11,12) bond length is 1.36 Å. The C(19,20,21)-N(7,8,9) bond length is 1.36 Å. In the seventeenth C site, C(22) is bonded in a trigonal planar geometry to one C(19,20,21); one C(25,27); and one C(34,36) atom. The C(22)-C(25,27) bond length is 1.40 Å. The C(22)-C(34,36) bond length is 1.40 Å. In the eighteenth C site, C(23,24) is bonded in a trigonal planar geometry to one C(19,20,21); one C(26); and one C(35) atom. The C(23,24)-C(19,20,21) bond length is 1.45 Å. The C(23,24)-C(26) bond length is 1.40 Å. The C(23,24)-C(35) bond length is 1.41 Å. In the nineteenth C site, C(25,27) is bonded in a distorted trigonal planar geometry to one C(22), one C(28), and one H(13) atom. The C(25,27)-C(28) bond length is 1.39 Å. The C(25,27)-H(13) bond length is 1.09 Å. In the twentieth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(23,24); one C(29); and one H(14,15) atom. The C(26)-C(29) bond length is 1.39 Å. The C(26)-H(14,15) bond length is 1.09 Å. In the twenty-first C site, C(28) is bonded in a distorted trigonal planar geometry to one C(25,27); one N(13); and one H(16,18) atom. The C(28)-N(13) bond length is 1.35 Å. The C(28)-H(16,18) bond length is 1.09 Å. In the twenty-second C site, C(29) is bonded in a distorted trigonal planar geometry to one C(26), one N(14), and one H(17) atom. The C(29)-N(14) bond length is 1.35 Å. The C(29)-H(17) bond length is 1.09 Å. In the twenty-third C site, C(30) is bonded in a distorted trigonal planar geometry to one C(25,27); one N(15); and one H(16,18) atom. The C(30)-C(25,27) bond length is 1.39 Å. The C(30)-N(15) bond length is 1.35 Å. The C(30)-H(16,18) bond length is 1.09 Å. In the twenty-fourth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(34,36); one N(13); and one H(19,21) atom. The C(31)-C(34,36) bond length is 1.39 Å. The C(31)-N(13) bond length is 1.35 Å. The C(31)-H(19,21) bond length is 1.09 Å. In the twenty-fifth C site, C(32) is bonded in a distorted trigonal planar geometry to one C(35), one N(14), and one H(20) atom. The C(32)-C(35) bond length is 1.39 Å. The C(32)-N(14) bond length is 1.35 Å. The C(32)-H(20) bond length is 1.09 Å. In the twenty-sixth C site, C(33) is bonded in a distorted trigonal planar geometry to one C(34,36); one N(15); and one H(19,21) atom. The C(33)-C(34,36) bond length is 1.39 Å. The C(33)-N(15) bond length is 1.35 Å. The C(33)-H(19,21) bond length is 1.09 Å. In the twenty-seventh C site, C(34,36) is bonded in a distorted trigonal planar geometry to one C(22); one C(31); and one H(22,23,24) atom. The C(34,36)-H(22,23,24) bond length is 1.09 Å. In the twenty-eighth C site, C(35) is bonded in a distorted trigonal planar geometry to one C(23,24); one C(32); and one H(22,23,24) atom. The C(35)-H(22,23,24) bond length is 1.09 Å. There are eleven inequivalent N sites. In the first N site, N(4) is bonded in a distorted trigonal planar geometry to one Co(1); one C(16,18); and one N(7,8,9) atom. The N(4)-N(7,8,9) bond length is 1.34 Å. In the second N site, N(5) is bonded in a distorted trigonal planar geometry to one Co(2); one C(17); and one N(7,8,9) atom. The N(5)-N(7,8,9) bond length is 1.34 Å. In the third N site, N(6) is bonded in a distorted trigonal planar geometry to one Co(3); one C(16,18); and one N(7,8,9) atom. The N(6)-C(16,18) bond length is 1.36 Å. The N(6)-N(7,8,9) bond length is 1.34 Å. In the fourth N site, N(7,8,9) is bonded in a water-like geometry to one C(19,20,21) and one N(4) atom. In the fifth N site, N(10,11,12) is bonded in a water-like geometry to one C(16,18) and one C(19,20,21) atom. In the sixth N site, N(13) is bonded in a trigonal planar geometry to one Co(3), one C(28), and one C(31) atom. In the seventh N site, N(14) is bonded in a trigonal planar geometry to one Co(1), one C(29), and one C(32) atom. In the eighth N site, N(15) is bonded in a trigonal planar geometry to one Co(2), one C(30), and one C(33) atom. In the ninth N site, N(1) is bonded in a trigonal planar geometry to one Co(1), one C(1), and one C(13) atom. In the tenth N site, N(2) is bonded in a trigonal planar geometry to one Co(2), one C(14), and one C(2) atom. In the eleventh N site, N(3) is bonded in a trigonal planar geometry to one Co(3), one C(15), and one C(3) atom. There are fifteen inequivalent H sites. In the first H site, H(1,3) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(4,6) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(4,6) atom. The H(6)-C(4,6) bond length is 1.09 Å. In the sixth H site, H(7,8,9) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(10,12) is bonded in a single-bond geometry to one C(10,12) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(25,27) atom. In the tenth H site, H(14,15) is bonded in a single-bond geometry to one C(26) atom. In the eleventh H site, H(16,18) is bonded in a single-bond geometry to one C(28) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the thirteenth H site, H(19,21) is bonded in a single-bond geometry to one C(31) atom. In the fourteenth H site, H(20) is bonded in a single-bond geometry to one C(32) atom. In the fifteenth H site, H(22,23,24) is bonded in a single-bond geometry to one C(34,36) atom. Linkers: 6 c1ccc(C2=NN=C(c3ccncc3)[N]2)nc1. Metal clusters: 3 [Co]. The MOF has largest included sphere 7.39 A, density 1.18 g/cm3, surface area 4596.65 m2/g, accessible volume 0.35 cm3/g