CoC16H16(N6O)2 crystallizes in the orthorhombic Cmce space group. The structure consists of a CoC16H16(N6O)2 framework. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(7) atoms. Both Co(1)-N(1) bond lengths are 2.13 Å. Both Co(1)-N(7) bond lengths are 2.14 Å. In the second Co site, Co(2) is bonded in a square co-planar geometry to two equivalent N(12) and two equivalent N(6) atoms. Both Co(2)-N(12) bond lengths are 2.12 Å. Both Co(2)-N(6) bond lengths are 2.13 Å. There are sixteen inequivalent C sites. In the first C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(7), and one H(10) atom. The C(9)-C(10) bond length is 1.38 Å. The C(9)-N(7) bond length is 1.33 Å. The C(9)-H(10) bond length is 0.93 Å. In the second C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(11) atom. The C(10)-C(11) bond length is 1.37 Å. The C(10)-H(11) bond length is 0.93 Å. In the third C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(5), and one N(5) atom. The C(2)-C(1) bond length is 1.39 Å. The C(2)-C(5) bond length is 1.39 Å. The C(2)-N(5) bond length is 1.41 Å. In the fourth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(6), and one H(1) atom. The C(1)-N(6) bond length is 1.32 Å. The C(1)-H(1) bond length is 0.93 Å. In the fifth C site, C(15) is bonded in a distorted trigonal non-coplanar geometry to one C(14), one N(9), one H(14), and one H(15) atom. The C(15)-C(14) bond length is 1.55 Å. The C(15)-N(9) bond length is 1.44 Å. The C(15)-H(14) bond length is 0.97 Å. The C(15)-H(15) bond length is 0.97 Å. In the sixth C site, C(16) is bonded in a trigonal planar geometry to one N(12), one N(9), and one H(16) atom. The C(16)-N(12) bond length is 1.32 Å. The C(16)-N(9) bond length is 1.33 Å. The C(16)-H(16) bond length is 0.93 Å. In the seventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(13), and one H(12) atom. The C(11)-C(13) bond length is 1.37 Å. The C(11)-H(12) bond length is 0.93 Å. In the eighth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(7), and one H(13) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-N(7) bond length is 1.35 Å. The C(12)-H(13) bond length is 0.93 Å. In the ninth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(11), one C(12), and one N(8) atom. The C(13)-N(8) bond length is 1.40 Å. In the tenth C site, C(14) is bonded in a trigonal planar geometry to one C(15), one N(8), and one O(2) atom. The C(14)-N(8) bond length is 1.34 Å. The C(14)-O(2) bond length is 1.21 Å. In the eleventh C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(6), and one H(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(6) bond length is 1.35 Å. The C(3)-H(2) bond length is 0.93 Å. In the twelfth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.37 Å. The C(4)-H(3) bond length is 0.93 Å. In the thirteenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(6) atom. The C(5)-H(6) bond length is 0.93 Å. In the fourteenth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(5), and one O(1) atom. The C(6)-C(7) bond length is 1.53 Å. The C(6)-N(5) bond length is 1.34 Å. The C(6)-O(1) bond length is 1.22 Å. In the fifteenth C site, C(7) is bonded in a 3-coordinate geometry to one C(6); one N(4); and two equivalent H(7,8) atoms. The C(7)-N(4) bond length is 1.47 Å. Both C(7)-H(7,8) bond lengths are 0.97 Å. In the sixteenth C site, C(8) is bonded in a trigonal planar geometry to one N(1), one N(4), and one H(9) atom. The C(8)-N(1) bond length is 1.31 Å. The C(8)-N(4) bond length is 1.34 Å. The C(8)-H(9) bond length is 0.93 Å. There are twelve inequivalent N sites. In the first N site, N(8) is bonded in a distorted trigonal planar geometry to one C(13), one C(14), and one H(5) atom. The N(8)-H(5) bond length is 0.86 Å. In the second N site, N(9) is bonded in a 2-coordinate geometry to one C(15), one C(16), and one N(10) atom. The N(9)-N(10) bond length is 1.36 Å. In the third N site, N(10) is bonded in a water-like geometry to one N(11) and one N(9) atom. The N(10)-N(11) bond length is 1.31 Å. In the fourth N site, N(11) is bonded in a water-like geometry to one N(10) and one N(12) atom. The N(11)-N(12) bond length is 1.35 Å. In the fifth N site, N(1) is bonded in a 3-coordinate geometry to one Co(1), one C(8), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the sixth N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.29 Å. In the seventh N site, N(3) is bonded in a water-like geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the eighth N site, N(4) is bonded in a 2-coordinate geometry to one C(7), one C(8), and one N(3) atom. In the ninth N site, N(5) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(4) atom. The N(5)-H(4) bond length is 0.86 Å. In the tenth N site, N(12) is bonded in a distorted trigonal planar geometry to one Co(2), one C(16), and one N(11) atom. In the eleventh N site, N(6) is bonded in a trigonal planar geometry to one Co(2), one C(1), and one C(3) atom. In the twelfth N site, N(7) is bonded in a trigonal planar geometry to one Co(1), one C(12), and one C(9) atom. There are fifteen inequivalent H sites. In the first H site, H(1) 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(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7,8) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(10) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(11) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(16) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(6) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(14) atom. Linkers: 32 O=C(Cn1cnnn1)Nc1cccnc1. Metal clusters: 16 [Co]. The MOF has largest included sphere 8.36 A, density 0.63 g/cm3, surface area 4921.45 m2/g, accessible volume 1.15 cm3/g