ZnC4N3H6 crystallizes in the trigonal R-3 space group. Zn(1) is bonded in a trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. The Zn(1)-N(1) bond length is 2.02 Å. The Zn(1)-N(2) bond length is 2.01 Å. The Zn(1)-N(3) bond length is 2.03 Å. There are four inequivalent C sites. In the first C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one N(3) atom. The C(3)-C(4) bond length is 1.48 Å. The C(3)-N(1) bond length is 1.32 Å. The C(3)-N(3) bond length is 1.36 Å. In the second C site, C(4) is bonded in a trigonal non-coplanar geometry to one C(3) and three equivalent H(4,5,6) atoms. All C(4)-H(4,5,6) bond lengths are 0.96 Å. In the third C site, C(1) is bonded in a trigonal non-coplanar geometry to one C(2); one H(3); and two equivalent H(1,2) atoms. The C(1)-C(2) bond length is 1.48 Å. The C(1)-H(3) bond length is 0.96 Å. Both C(1)-H(1,2) bond lengths are 0.96 Å. In the fourth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one N(3) atom. The C(2)-N(2) bond length is 1.31 Å. The C(2)-N(3) bond length is 1.35 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(3), and one N(2) atom. The N(1)-N(2) bond length is 1.38 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(2), and one C(3) atom. There are three inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(4,5,6) is bonded in a single-bond geometry to one C(4) atom. Linkers: 5 CC1=NN=C(C)[N]1 ,1 CC1=[N]=C(N=N1)C. Metal clusters: 3 N1=N[Zn]=NN=[Zn]1. The MOF has largest included sphere 8.69 A, density 1.20 g/cm3, surface area 4250.40 m2/g, accessible volume 0.38 cm3/g