Co3C20H16(NO)12 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent N(6), two equivalent O(2), and two equivalent O(3) atoms. Both Co(1)-N(6) bond lengths are 2.15 Å. Both Co(1)-O(2) bond lengths are 2.10 Å. Both Co(1)-O(3) bond lengths are 1.99 Å. In the second Co site, Co(2) is bonded in an octahedral geometry to one N(1), one N(2), one N(5), one O(4), one O(5), and one O(6) atom. The Co(2)-N(1) bond length is 2.07 Å. The Co(2)-N(2) bond length is 2.13 Å. The Co(2)-N(5) bond length is 2.10 Å. The Co(2)-O(4) bond length is 2.03 Å. The Co(2)-O(5) bond length is 2.17 Å. The Co(2)-O(6) bond length is 2.18 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.45 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one N(5) atom. The C(2)-C(5) bond length is 1.40 Å. The C(2)-N(5) bond length is 1.36 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(5), and one H(5) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(5) bond length is 1.34 Å. The C(3)-H(5) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(6), and one H(6) atom. The C(4)-N(6) bond length is 1.35 Å. The C(4)-H(6) 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 N(6), and one H(7) atom. The C(5)-N(6) bond length is 1.34 Å. The C(5)-H(7) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(7), one C(8), and one C(9) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-C(8) bond length is 1.40 Å. The C(6)-C(9) bond length is 1.51 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(8) atom. The C(7)-C(10) bond length is 1.49 Å. The C(7)-C(8) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(6), one C(7), and one H(8) atom. The C(8)-H(8) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(1), and one O(2) atom. The C(9)-O(1) bond length is 1.24 Å. The C(9)-O(2) bond length is 1.30 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(4) atom. The C(10)-O(3) bond length is 1.28 Å. The C(10)-O(4) bond length is 1.27 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Co(2), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.33 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Co(2), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.33 Å. In the third 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 1.35 Å. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one C(1) and one N(3) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(2), one C(2), and one C(3) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Co(1), one C(4), and one C(5) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. The H(1)-O(2) bond length is 1.63 Å. The H(1)-O(5) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.98 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(6) atom. The H(3)-O(1) bond length is 1.67 Å. The H(3)-O(6) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. The H(4)-O(6) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one C(9) and one H(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one C(9), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one C(10) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(2) and one C(10) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Co(2), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Co(2), one H(3), and one H(4) atom. Linkers: 1 [O]C(=O)c1cc(C([O])=O)c(C([O])=O)cc1C([O])=O ,2 c1cnc(C2=NN=N[N]2)cn1. Metal clusters: 3 [Co]. The MOF has largest included sphere 3.27 A, density 1.85 g/cm3, surface area 2798.91 m2/g, accessible volume 0.10 cm3/g