CoH6(C5N2)2 crystallizes in the tetragonal P4_2/ncm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to four equivalent N(3) atoms. All Co(1)-N(3) bond lengths are 2.12 Å. In the second Co site, Co(2) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Co(2)-N(1) bond lengths are 2.05 Å. Both Co(2)-N(2) bond lengths are 2.04 Å. There are nine inequivalent C sites. In the first C site, C(7) is bonded in a trigonal planar geometry to one C(9) and two equivalent C(1) atoms. The C(7)-C(9) bond length is 1.45 Å. Both C(7)-C(1) bond lengths are 1.39 Å. In the second C site, C(8) is bonded in a single-bond geometry to two equivalent C(2) and one H(5) atom. Both C(8)-C(2) bond lengths are 1.39 Å. The C(8)-H(5) bond length is 0.95 Å. In the third C site, C(9) is bonded in a trigonal planar geometry to one C(7) and two equivalent C(3) atoms. Both C(9)-C(3) bond lengths are 1.36 Å. In the fourth C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(7), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-H(1) bond length is 0.95 Å. In the fifth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(8) atom. The C(2)-C(4) bond length is 1.45 Å. In the sixth C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(1), and one H(2) atom. The C(3)-N(1) bond length is 1.36 Å. The C(3)-H(2) bond length is 0.95 Å. In the seventh C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(4)-C(5) bond length is 1.36 Å. The C(4)-C(6) bond length is 1.36 Å. In the eighth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(3) atom. The C(5)-N(2) bond length is 1.36 Å. The C(5)-H(3) bond length is 0.95 Å. In the ninth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one N(3), and one H(4) atom. The C(6)-N(3) bond length is 1.36 Å. The C(6)-H(4) bond length is 0.95 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Co(2), one C(3), and one N(1) atom. The N(1)-N(1) bond length is 1.36 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Co(2), one C(5), and one N(3) atom. The N(2)-N(3) bond length is 1.36 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Co(1), one C(6), and one N(2) atom. There are five 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(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. Linkers: 3 [CH]1N=NC=C1c1cc([C]2C=NN=C2)cc(C2=C[N]N=C2)c1 ,3 [CH]1N=NC=C1c1cc(C2=C[N]N=C2)cc(C2=C[N]N=C2)c1 ,2 [CH]1N=NC=C1c1cc(C2=CN=N[CH]2)cc(C2=C[N]N=C2)c1. Metal clusters: 12 [Co]. The MOF has largest included sphere 6.30 A, density 1.00 g/cm3, surface area 3950.81 m2/g, accessible volume 0.63 cm3/g