CoC16N3H12O2 crystallizes in the monoclinic P2_1/m space group. Co(1) is bonded in a square pyramidal geometry to one N(1), one N(2), one N(3), one O(1), and one O(2) atom. The Co(1)-N(1) bond length is 2.19 Å. The Co(1)-N(2) bond length is 2.14 Å. The Co(1)-N(3) bond length is 2.11 Å. The Co(1)-O(1) bond length is 2.10 Å. The Co(1)-O(2) bond length is 2.08 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(1) atom. The C(1)-C(2) bond length is 1.35 Å. The C(1)-C(6) bond length is 1.32 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(9) atom. The C(2)-C(2) bond length is 1.46 Å. The C(2)-C(9) bond length is 1.37 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(3)-O(1) bond length is 1.26 Å. The C(3)-O(2) bond length is 1.27 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(10), one C(5), and one H(2) atom. The C(4)-C(10) bond length is 1.31 Å. The C(4)-C(5) bond length is 1.35 Å. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(12), one C(4), and one C(5) atom. The C(5)-C(12) bond length is 1.34 Å. The C(5)-C(5) bond length is 1.47 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(1), and one H(3) atom. The C(6)-N(1) bond length is 1.37 Å. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(14), one C(15), and one C(7) atom. The C(7)-C(14) bond length is 1.37 Å. The C(7)-C(15) bond length is 1.37 Å. The C(7)-C(7) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(2), and one H(4) atom. The C(8)-C(12) bond length is 1.41 Å. The C(8)-N(2) bond length is 1.35 Å. The C(8)-H(4) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(11), one C(2), and one H(5) atom. The C(9)-C(11) bond length is 1.43 Å. The C(9)-H(5) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(6) atom. The C(10)-N(2) bond length is 1.31 Å. The C(10)-H(6) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a bent 120 degrees geometry to one C(9), one N(1), and one H(7) atom. The C(11)-N(1) bond length is 1.29 Å. The C(11)-H(7) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(5), one C(8), and one H(8) atom. The C(12)-H(8) bond length is 0.93 Å. In the thirteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(14), one N(3), and one H(9) atom. The C(13)-C(14) bond length is 1.45 Å. The C(13)-N(3) bond length is 1.27 Å. The C(13)-H(9) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(7), and one H(10) atom. The C(14)-H(10) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(16), one C(7), and one H(11) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-H(11) bond length is 0.93 Å. In the sixteenth C site, C(16) is bonded in a bent 120 degrees geometry to one C(15), one N(3), and one H(12) atom. The C(16)-N(3) bond length is 1.31 Å. The C(16)-H(12) bond length is 0.93 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1), one C(11), and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Co(1), one C(10), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(1), one C(13), and one C(16) atom. There are twelve 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(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(12) 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 water-like geometry to one Co(1) and one C(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one C(3) atom. Linkers: 2 [O]C(=O)C([O])=O ,6 c1cc(-c2ccncc2)ccn1. Metal clusters: 2 O1[Co]OC2=C1O[Co]O2. The MOF has largest included sphere 12.95 A, density 0.42 g/cm3, surface area 4593.90 m2/g, accessible volume 2.09 cm3/g