ZnH6(C5N4)2 crystallizes in the orthorhombic P2_12_12_1 space group. Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(5) atom. The Zn(1)-N(1) bond length is 2.01 Å. The Zn(1)-N(2) bond length is 2.01 Å. The Zn(1)-N(3) bond length is 2.00 Å. The Zn(1)-N(5) bond length is 1.99 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(2) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(2), and one N(4) atom. The C(2)-C(3) bond length is 1.42 Å. The C(2)-N(2) bond length is 1.38 Å. The C(2)-N(4) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one N(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(1) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(8), and one H(2) atom. The C(4)-N(8) bond length is 1.34 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(10), one N(3), and one N(6) atom. The C(5)-C(10) bond length is 1.42 Å. The C(5)-N(3) bond length is 1.38 Å. The C(5)-N(6) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(3), one N(5), and one H(3) atom. The C(6)-N(3) bond length is 1.35 Å. The C(6)-N(5) bond length is 1.35 Å. The C(6)-H(3) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(4), one N(8), and one H(4) atom. The C(7)-N(4) bond length is 1.34 Å. The C(7)-N(8) bond length is 1.35 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(6), one N(7), and one H(5) atom. The C(8)-N(6) bond length is 1.34 Å. The C(8)-N(7) bond length is 1.35 Å. The C(8)-H(5) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one N(7), and one H(6) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-N(7) bond length is 1.34 Å. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(5), one C(9), and one N(5) atom. The C(10)-N(5) bond length is 1.39 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(2) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(5), and one C(6) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(2) and one C(7) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Zn(1), one C(10), and one C(6) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(5) and one C(8) atom. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one C(8) and one C(9) atom. In the eighth N site, N(8) is bonded in a bent 120 degrees geometry to one C(4) and one C(7) atom. There are six 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(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. Linkers: 3 C1=NC=NC2=NC=N[C]12 ,2 C1=[N]=c2c(=N1)cncn2 ,1 C1=NC=C2N=CN=C2[N]1 ,2 C1=NC=C2C(=[N]=C[N]2)[N]1. Metal clusters: 4 [Zn]. The MOF has largest included sphere 2.48 A, density 1.73 g/cm3, surface area 4066.68 m2/g, accessible volume 0.14 cm3/g