ZnC7N6H8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(12), one N(4), and one N(7) atom. The Zn(1)-N(1) bond length is 1.99 Å. The Zn(1)-N(12) bond length is 1.99 Å. The Zn(1)-N(4) bond length is 2.01 Å. The Zn(1)-N(7) bond length is 1.98 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(10), one N(3), one N(6), and one N(9) atom. The Zn(2)-N(10) bond length is 2.00 Å. The Zn(2)-N(3) bond length is 1.96 Å. The Zn(2)-N(6) bond length is 2.00 Å. The Zn(2)-N(9) bond length is 1.99 Å. There are fourteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal non-coplanar geometry to one C(2) and three equivalent H(1,2,3) atoms. The C(1)-C(2) bond length is 1.49 Å. All C(1)-H(1,2,3) bond lengths are 0.98 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(10), and one N(12) atom. The C(2)-N(10) bond length is 1.34 Å. The C(2)-N(12) bond length is 1.32 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(10), and one N(11) atom. The C(3)-C(4) bond length is 1.51 Å. The C(3)-N(10) bond length is 1.36 Å. The C(3)-N(11) bond length is 1.31 Å. In the fourth C site, C(4) is bonded in a water-like geometry to one C(3); one C(5); and two equivalent H(4,5) atoms. The C(4)-C(5) bond length is 1.50 Å. Both C(4)-H(4,5) bond lengths are 0.99 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(8), and one N(9) atom. The C(5)-N(8) bond length is 1.32 Å. The C(5)-N(9) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(7), and one N(9) atom. The C(6)-C(7) bond length is 1.49 Å. The C(6)-N(7) bond length is 1.33 Å. The C(6)-N(9) bond length is 1.34 Å. In the seventh C site, C(7) is bonded in a trigonal non-coplanar geometry to one C(6) and three equivalent H(6,7,8) atoms. All C(7)-H(6,7,8) bond lengths are 0.98 Å. In the eighth C site, C(8) is bonded in a trigonal non-coplanar geometry to one C(9); one H(9); and two equivalent H(10,11) atoms. The C(8)-C(9) bond length is 1.48 Å. The C(8)-H(9) bond length is 0.98 Å. Both C(8)-H(10,11) bond lengths are 0.98 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(8), one N(1), and one N(2) atom. The C(9)-N(1) bond length is 1.36 Å. The C(9)-N(2) bond length is 1.32 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one N(1), and one N(3) atom. The C(10)-C(11) bond length is 1.50 Å. The C(10)-N(1) bond length is 1.34 Å. The C(10)-N(3) bond length is 1.33 Å. In the eleventh C site, C(11) is bonded in a water-like geometry to one C(10); one C(12); and two equivalent H(12,13) atoms. The C(11)-C(12) bond length is 1.50 Å. Both C(11)-H(12,13) bond lengths are 0.99 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(4), and one N(5) atom. The C(12)-N(4) bond length is 1.37 Å. The C(12)-N(5) bond length is 1.31 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14), one N(4), and one N(6) atom. The C(13)-C(14) bond length is 1.49 Å. The C(13)-N(4) bond length is 1.35 Å. The C(13)-N(6) bond length is 1.32 Å. In the fourteenth C site, C(14) is bonded in a trigonal non-coplanar geometry to one C(13) and three equivalent H(14,15,16) atoms. All C(14)-H(14,15,16) bond lengths are 0.98 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(10), and one C(9) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(9) and one N(3) atom. The N(2)-N(3) bond length is 1.39 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Zn(2), one C(10), and one N(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1), one C(12), and one C(13) atom. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(12) and one N(6) atom. The N(5)-N(6) bond length is 1.39 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(13), and one N(5) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Zn(1), one C(6), and one N(8) atom. The N(7)-N(8) bond length is 1.39 Å. In the eighth N site, N(8) is bonded in a distorted water-like geometry to one C(5) and one N(7) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(2), one C(5), and one C(6) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Zn(2), one C(2), and one C(3) atom. In the eleventh N site, N(11) is bonded in a distorted water-like geometry to one C(3) and one N(12) atom. The N(11)-N(12) bond length is 1.39 Å. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Zn(1), one C(2), and one N(11) atom. There are seven inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(4,5) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(6,7,8) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(10,11) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(12,13) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(14,15,16) is bonded in a single-bond geometry to one C(14) atom. Linkers: 3 CC1=[N]=C(N=N1)CC1=[N]=C(N=N1)C ,3 CC1=NN=C([N]1)CC1=[N]=C(N=N1)C ,1 CC1=N[N]C(=N1)CC1=[N]=C(N=N1)C ,1 CC1=NN=C(CC2=NN=C(C)[N]2)[N]1. Metal clusters: 8 [Zn]. The MOF has largest included sphere 4.43 A, density 1.43 g/cm3, surface area 4444.84 m2/g, accessible volume 0.29 cm3/g