ZnH2(C3N5)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one N(1), one N(11), one N(14), one N(19), and one N(29) atom. The Zn(1)-N(1) bond length is 2.11 Å. The Zn(1)-N(11) bond length is 2.05 Å. The Zn(1)-N(14) bond length is 2.42 Å. The Zn(1)-N(19) bond length is 2.05 Å. The Zn(1)-N(29) bond length is 2.03 Å. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one N(12), one N(15), one N(2), one N(20), and one N(30) atom. The Zn(2)-N(12) bond length is 2.05 Å. The Zn(2)-N(15) bond length is 2.42 Å. The Zn(2)-N(2) bond length is 2.11 Å. The Zn(2)-N(20) bond length is 2.05 Å. The Zn(2)-N(30) bond length is 2.03 Å. In the third Zn site, Zn(3) is bonded in a 5-coordinate geometry to one N(10), one N(13), one N(21), one N(28), and one N(3) atom. The Zn(3)-N(10) bond length is 2.05 Å. The Zn(3)-N(13) bond length is 2.42 Å. The Zn(3)-N(21) bond length is 2.05 Å. The Zn(3)-N(28) bond length is 2.03 Å. The Zn(3)-N(3) bond length is 2.11 Å. There are seventeen inequivalent C sites. In the first C site, C(1) is bonded in a distorted water-like geometry to one C(4), one N(1), and one N(10) atom. The C(1)-C(4) bond length is 1.47 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(10) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one C(5), one N(11), and one N(2) atom. The C(2)-C(5) bond length is 1.47 Å. The C(2)-N(11) bond length is 1.35 Å. The C(2)-N(2) bond length is 1.35 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one C(6), one N(12), and one N(3) atom. The C(3)-C(6) bond length is 1.47 Å. The C(3)-N(12) bond length is 1.35 Å. The C(3)-N(3) bond length is 1.35 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(1), one C(7), and one N(13) atom. The C(4)-C(7) bond length is 1.42 Å. The C(4)-N(13) bond length is 1.35 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(2), one C(8), and one N(14) atom. The C(5)-C(8) bond length is 1.42 Å. The C(5)-N(14) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(3), one C(9), and one N(15) atom. The C(6)-C(9) bond length is 1.42 Å. The C(6)-N(15) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(10), one C(4), and one N(16) atom. The C(7)-C(10) bond length is 1.46 Å. The C(7)-N(16) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(11), one C(5), and one N(17) atom. The C(8)-C(11) bond length is 1.46 Å. The C(8)-N(17) bond length is 1.35 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(12), one C(6), and one N(18) atom. The C(9)-C(12) bond length is 1.46 Å. The C(9)-N(18) bond length is 1.35 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(7), one N(19), and one N(28) atom. The C(10)-N(19) bond length is 1.34 Å. The C(10)-N(28) bond length is 1.35 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(8), one N(20), and one N(29) atom. The C(11)-N(20) bond length is 1.34 Å. The C(11)-N(29) bond length is 1.35 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(9), one N(21), and one N(30) atom. The C(12)-N(21) bond length is 1.34 Å. The C(12)-N(30) bond length is 1.35 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(16,17); one N(13); and one H(1,2) atom. The C(13)-C(16,17) bond length is 1.40 Å. The C(13)-N(13) bond length is 1.33 Å. The C(13)-H(1,2) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(16,17); one N(14); and one H(1,2) atom. The C(14)-C(16,17) bond length is 1.40 Å. The C(14)-N(14) bond length is 1.33 Å. The C(14)-H(1,2) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(18), one N(15), and one H(3) atom. The C(15)-C(18) bond length is 1.40 Å. The C(15)-N(15) bond length is 1.33 Å. The C(15)-H(3) bond length is 1.09 Å. In the sixteenth C site, C(16,17) is bonded in a distorted trigonal planar geometry to one C(13), one N(16), and one H(4) atom. The C(16,17)-N(16) bond length is 1.33 Å. The C(16,17)-H(4) bond length is 1.09 Å. In the seventeenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(15), one N(18), and one H(6) atom. The C(18)-N(18) bond length is 1.33 Å. The C(18)-H(6) bond length is 1.09 Å. There are twenty-eight inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Zn(1); one C(1); and one N(4,5) atom. The N(1)-N(4,5) bond length is 1.35 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Zn(2); one C(2); and one N(4,5) atom. The N(2)-N(4,5) bond length is 1.35 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Zn(3), one C(3), and one N(6) atom. The N(3)-N(6) bond length is 1.35 Å. In the fourth N site, N(4,5) is bonded in a water-like geometry to one N(1) and one N(7,9) atom. The N(4,5)-N(7,9) bond length is 1.31 Å. In the fifth N site, N(6) is bonded in a water-like geometry to one N(3) and one N(7,9) atom. The N(6)-N(7,9) bond length is 1.31 Å. In the sixth N site, N(7,9) is bonded in a water-like geometry to one N(10) and one N(4,5) atom. The N(7,9)-N(10) bond length is 1.34 Å. In the seventh N site, N(8) is bonded in a water-like geometry to one N(11) and one N(4,5) atom. The N(8)-N(11) bond length is 1.34 Å. The N(8)-N(4,5) bond length is 1.31 Å. In the eighth N site, N(10) is bonded in a distorted trigonal planar geometry to one Zn(3); one C(1); and one N(7,9) atom. In the ninth N site, N(11) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one N(8) atom. In the tenth N site, N(12) is bonded in a distorted trigonal planar geometry to one Zn(2); one C(3); and one N(7,9) atom. The N(12)-N(7,9) bond length is 1.34 Å. In the eleventh N site, N(13) is bonded in a trigonal planar geometry to one Zn(3), one C(13), and one C(4) atom. In the twelfth N site, N(14) is bonded in a trigonal planar geometry to one Zn(1), one C(14), and one C(5) atom. In the thirteenth N site, N(15) is bonded in a trigonal planar geometry to one Zn(2), one C(15), and one C(6) atom. In the fourteenth N site, N(16) is bonded in a bent 120 degrees geometry to one C(16,17) and one C(7) atom. In the fifteenth N site, N(17) is bonded in a bent 120 degrees geometry to one C(16,17) and one C(8) atom. The N(17)-C(16,17) bond length is 1.33 Å. In the sixteenth N site, N(18) is bonded in a bent 120 degrees geometry to one C(18) and one C(9) atom. In the seventeenth N site, N(19) is bonded in a 3-coordinate geometry to one Zn(1), one C(10), and one N(22) atom. The N(19)-N(22) bond length is 1.36 Å. In the eighteenth N site, N(20) is bonded in a 3-coordinate geometry to one Zn(2), one C(11), and one N(23) atom. The N(20)-N(23) bond length is 1.36 Å. In the nineteenth N site, N(21) is bonded in a 3-coordinate geometry to one Zn(3), one C(12), and one N(24) atom. The N(21)-N(24) bond length is 1.36 Å. In the twentieth N site, N(22) is bonded in a water-like geometry to one N(19) and one N(25) atom. The N(22)-N(25) bond length is 1.30 Å. In the twenty-first N site, N(23) is bonded in a water-like geometry to one N(20) and one N(26) atom. The N(23)-N(26) bond length is 1.30 Å. In the twenty-second N site, N(24) is bonded in a water-like geometry to one N(21) and one N(27) atom. The N(24)-N(27) bond length is 1.30 Å. In the twenty-third N site, N(25) is bonded in a water-like geometry to one N(22) and one N(28) atom. The N(25)-N(28) bond length is 1.35 Å. In the twenty-fourth N site, N(26) is bonded in a water-like geometry to one N(23) and one N(29) atom. The N(26)-N(29) bond length is 1.35 Å. In the twenty-fifth N site, N(27) is bonded in a water-like geometry to one N(24) and one N(30) atom. The N(27)-N(30) bond length is 1.35 Å. In the twenty-sixth N site, N(28) is bonded in a distorted bent 120 degrees geometry to one Zn(3), one C(10), and one N(25) atom. In the twenty-seventh N site, N(29) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one C(11), and one N(26) atom. In the twenty-eighth N site, N(30) is bonded in a distorted bent 120 degrees geometry to one Zn(2), one C(12), and one N(27) atom. There are five inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(13) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(15) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(16,17) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(16,17) atom. The H(5)-C(16,17) bond length is 1.09 Å. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(18) atom. Linkers: 6 c1cnc(C2=NN=N[N]2)c(C2=NN=N[N]2)n1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 6.53 A, density 1.38 g/cm3, surface area 3409.30 m2/g, accessible volume 0.35 cm3/g