ZnH6(C5N3)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(3), one N(5), and one N(6) atom. The Zn(1)-N(1) bond length is 1.98 Å. The Zn(1)-N(3) bond length is 1.99 Å. The Zn(1)-N(5) bond length is 1.98 Å. The Zn(1)-N(6) bond length is 2.04 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2) and one H(6) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-H(6) bond length is 0.93 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(4) atom. The C(2)-C(10) bond length is 1.36 Å. The C(2)-C(4) bond length is 1.47 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(5), and one H(4) atom. The C(3)-C(8) bond length is 1.38 Å. The C(3)-N(5) bond length is 1.33 Å. The C(3)-H(4) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one N(4) atom. The C(4)-N(2) bond length is 1.32 Å. The C(4)-N(4) bond length is 1.36 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(6), and one H(2) atom. The C(5)-C(10) bond length is 1.38 Å. The C(5)-N(6) bond length is 1.33 Å. The C(5)-H(2) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(8), one N(3), and one N(4) atom. The C(6)-C(8) bond length is 1.47 Å. The C(6)-N(3) bond length is 1.34 Å. The C(6)-N(4) bond length is 1.33 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(1), and one H(1) atom. The C(7)-C(8) bond length is 1.38 Å. The C(7)-N(1) bond length is 1.33 Å. The C(7)-H(1) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(3), one C(6), and one C(7) atom. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(5) atom. The C(9)-N(6) bond length is 1.33 Å. The C(9)-H(5) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one H(3) atom. The C(10)-H(3) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one C(7), and one N(5) atom. The N(1)-N(5) bond length is 1.36 Å. In the second N site, N(2) is bonded in a water-like geometry to one C(4) 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 2-coordinate geometry to one Zn(1), one C(6), and one N(2) atom. In the fourth N site, N(4) is bonded in a water-like geometry to one C(4) and one C(6) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(3), and one N(1) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(1), one C(5), and one C(9) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(1) atom. Linkers: 2 C1=NN=C[C]1C1=NN=C(c2ccncc2)[N]1 ,1 [CH]1N=NC=C1C1=N[N]C(c2ccncc2)=N1 ,1 C1=N[N]C=C1C1=NN=C(c2ccncc2)[N]1. Metal clusters: 2 [N]1[N][Zn][N][N][Zn]1. The MOF has largest included sphere 8.20 A, density 0.90 g/cm3, surface area 4007.54 m2/g, accessible volume 0.66 cm3/g