ZnC4N9H5 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded to one N(4), one N(6), one N(7), one N(8), and two equivalent N(1) atoms to form edge-sharing ZnN6 octahedra. The Zn(1)-N(4) bond length is 2.17 Å. The Zn(1)-N(6) bond length is 2.30 Å. The Zn(1)-N(7) bond length is 2.14 Å. The Zn(1)-N(8) bond length is 2.19 Å. There is one shorter (2.14 Å) and one longer (2.19 Å) Zn(1)-N(1) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(7), and one N(9) atom. The C(1)-C(2) bond length is 1.43 Å. The C(1)-N(7) bond length is 1.36 Å. The C(1)-N(9) bond length is 1.34 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(8), and one H(1) atom. The C(2)-N(8) bond length is 1.32 Å. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(2) atom. The C(3)-N(8) bond length is 1.35 Å. The C(3)-H(2) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(3) atom. The C(4)-N(7) bond length is 1.35 Å. The C(4)-H(3) bond length is 1.09 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a trigonal non-coplanar geometry to two equivalent Zn(1) and one N(2) atom. The N(1)-N(2) bond length is 1.21 Å. In the second N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.16 Å. In the third N site, N(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one N(5) atom. The N(4)-N(5) bond length is 1.20 Å. In the fifth N site, N(5) is bonded in a linear geometry to one N(4) and one N(6) atom. The N(5)-N(6) bond length is 1.17 Å. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one Zn(1) and one N(5) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(4) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Zn(1), one C(2), and one C(3) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(1), one H(4), and one H(5) atom. The N(9)-H(4) bond length is 1.02 Å. The N(9)-H(5) bond length is 1.03 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(9) atom. Linkers: 4 Nc1cnccn1. Metal clusters: 4 [Zn]. The MOF has largest included sphere 1.97 A, density 1.99 g/cm3, surface area 3564.96 m2/g, accessible volume 0.11 cm3/g