ZnH7(C5N4)3CH crystallizes in the triclinic P-1 space group. The structure consists of six 02329_fluka molecules inside a ZnH7(C5N4)3 framework. In the ZnH7(C5N4)3 framework, there are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square pyramidal geometry to one N(1), one N(11), one N(30), one N(5), and one N(9) atom. The Zn(1)-N(1) bond length is 2.12 Å. The Zn(1)-N(11) bond length is 2.19 Å. The Zn(1)-N(30) bond length is 2.03 Å. The Zn(1)-N(5) bond length is 2.04 Å. The Zn(1)-N(9) bond length is 2.13 Å. In the second Zn site, Zn(2) is bonded in a distorted trigonal bipyramidal geometry to one N(13), one N(20), one N(21), one N(23), and one N(7) atom. The Zn(2)-N(13) bond length is 2.13 Å. The Zn(2)-N(20) bond length is 2.05 Å. The Zn(2)-N(21) bond length is 2.13 Å. The Zn(2)-N(23) bond length is 2.17 Å. The Zn(2)-N(7) bond length is 2.01 Å. In the third Zn site, Zn(3) is bonded in a distorted trigonal bipyramidal geometry to one N(17), one N(25), one N(32), one N(33), and one N(35) atom. The Zn(3)-N(17) bond length is 2.03 Å. The Zn(3)-N(25) bond length is 2.10 Å. The Zn(3)-N(32) bond length is 2.02 Å. The Zn(3)-N(33) bond length is 2.11 Å. The Zn(3)-N(35) bond length is 2.26 Å. There are forty-five inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(3), one N(1), and one N(4) atom. The C(1)-C(3) bond length is 1.45 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.34 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(4), one N(5), and one N(8) atom. The C(2)-C(4) bond length is 1.47 Å. The C(2)-N(5) bond length is 1.36 Å. The C(2)-N(8) bond length is 1.33 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one C(4), and one N(9) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-N(9) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one N(10) atom. The C(4)-N(10) bond length is 1.34 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(12), one C(6), and one N(10) atom. The C(5)-C(12) bond length is 1.49 Å. The C(5)-C(6) bond length is 1.42 Å. The C(5)-N(10) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(9) atom. The C(6)-C(7) bond length is 1.48 Å. The C(6)-N(9) bond length is 1.34 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(11) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-N(11) bond length is 1.36 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(1) atom. The C(8)-H(1) bond length is 1.09 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(4) atom. The C(11)-N(11) bond length is 1.34 Å. The C(11)-H(4) bond length is 1.09 Å. In the tenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13), one C(5), and one N(12) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-N(12) bond length is 1.35 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one H(5) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(5) bond length is 1.09 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one H(6) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-H(6) bond length is 1.09 Å. In the thirteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(7) atom. The C(15)-H(7) bond length is 1.09 Å. In the fourteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one N(12) and one H(8) atom. The C(16)-N(12) bond length is 1.34 Å. The C(16)-H(8) bond length is 1.09 Å. In the fifteenth C site, C(17) is bonded in a distorted water-like geometry to one C(19), one N(13), and one N(16) atom. The C(17)-C(19) bond length is 1.45 Å. The C(17)-N(13) bond length is 1.35 Å. The C(17)-N(16) bond length is 1.34 Å. In the sixteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(20), one N(17), and one N(20) atom. The C(18)-C(20) bond length is 1.47 Å. The C(18)-N(17) bond length is 1.34 Å. The C(18)-N(20) bond length is 1.34 Å. In the seventeenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(17), one C(20), and one N(21) atom. The C(19)-C(20) bond length is 1.41 Å. The C(19)-N(21) bond length is 1.34 Å. In the eighteenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(18), one C(19), and one N(22) atom. The C(20)-N(22) bond length is 1.34 Å. In the nineteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(22), one C(28), and one N(22) atom. The C(21)-C(22) bond length is 1.42 Å. The C(21)-C(28) bond length is 1.49 Å. The C(21)-N(22) bond length is 1.34 Å. In the twentieth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one N(21) atom. The C(22)-C(23) bond length is 1.49 Å. The C(22)-N(21) bond length is 1.34 Å. In the twenty-first C site, C(23) is bonded in a distorted trigonal planar geometry to one C(22), one C(24), and one N(23) atom. The C(23)-C(24) bond length is 1.40 Å. The C(23)-N(23) bond length is 1.36 Å. In the twenty-second C site, C(24) is bonded in a distorted trigonal planar geometry to one C(23), one C(25), and one H(9) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-H(9) bond length is 1.09 Å. In the twenty-third C site, C(25) is bonded in a distorted trigonal planar geometry to one C(24), one C(26), and one H(10) atom. The C(25)-C(26) bond length is 1.39 Å. The C(25)-H(10) bond length is 1.09 Å. In the twenty-fourth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(25), one C(27), and one H(11) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-H(11) bond length is 1.09 Å. In the twenty-fifth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(26), one N(23), and one H(12) atom. The C(27)-N(23) bond length is 1.34 Å. The C(27)-H(12) bond length is 1.09 Å. In the twenty-sixth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(21), one C(29), and one N(24) atom. The C(28)-C(29) bond length is 1.40 Å. The C(28)-N(24) bond length is 1.34 Å. In the twenty-seventh C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one H(13) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-H(13) bond length is 1.09 Å. In the twenty-eighth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(29), one C(31), and one H(14) atom. The C(30)-C(31) bond length is 1.39 Å. The C(30)-H(14) bond length is 1.09 Å. In the twenty-ninth C site, C(31) is bonded in a distorted single-bond geometry to one C(30), one C(32), and one H(15) atom. The C(31)-C(32) bond length is 1.40 Å. The C(31)-H(15) bond length is 1.09 Å. In the thirtieth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(31), one N(24), and one H(16) atom. The C(32)-N(24) bond length is 1.34 Å. The C(32)-H(16) bond length is 1.09 Å. In the thirty-first C site, C(33) is bonded in a distorted trigonal planar geometry to one C(35), one N(25), and one N(28) atom. The C(33)-C(35) bond length is 1.45 Å. The C(33)-N(25) bond length is 1.35 Å. The C(33)-N(28) bond length is 1.34 Å. In the thirty-second C site, C(34) is bonded in a distorted trigonal planar geometry to one C(36), one N(29), and one N(32) atom. The C(34)-C(36) bond length is 1.48 Å. The C(34)-N(29) bond length is 1.33 Å. The C(34)-N(32) bond length is 1.36 Å. In the thirty-third C site, C(35) is bonded in a distorted single-bond geometry to one C(33), one C(36), and one N(33) atom. The C(35)-C(36) bond length is 1.41 Å. The C(35)-N(33) bond length is 1.34 Å. In the thirty-fourth C site, C(36) is bonded in a distorted trigonal planar geometry to one C(34), one C(35), and one N(34) atom. The C(36)-N(34) bond length is 1.34 Å. In the thirty-fifth C site, C(37) is bonded in a distorted trigonal planar geometry to one C(38), one C(44), and one N(34) atom. The C(37)-C(38) bond length is 1.42 Å. The C(37)-C(44) bond length is 1.49 Å. The C(37)-N(34) bond length is 1.34 Å. In the thirty-sixth C site, C(38) is bonded in a distorted single-bond geometry to one C(37), one C(39), and one N(33) atom. The C(38)-C(39) bond length is 1.49 Å. The C(38)-N(33) bond length is 1.34 Å. In the thirty-seventh C site, C(39) is bonded in a distorted trigonal planar geometry to one C(38), one C(40), and one N(35) atom. The C(39)-C(40) bond length is 1.40 Å. The C(39)-N(35) bond length is 1.36 Å. In the thirty-eighth C site, C(40) is bonded in a distorted single-bond geometry to one C(39) and one H(17) atom. The C(40)-H(17) bond length is 1.08 Å. In the thirty-ninth C site, C(41) is bonded in a distorted single-bond geometry to one C(42) and one H(18) atom. The C(41)-C(42) bond length is 1.39 Å. The C(41)-H(18) bond length is 1.09 Å. In the fortieth C site, C(42) is bonded in a distorted trigonal planar geometry to one C(41), one C(43), and one H(19) atom. The C(42)-C(43) bond length is 1.40 Å. The C(42)-H(19) bond length is 1.09 Å. In the forty-first C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(42), one N(35), and one H(20) atom. The C(43)-N(35) bond length is 1.34 Å. The C(43)-H(20) bond length is 1.09 Å. In the forty-second C site, C(44) is bonded in a distorted trigonal planar geometry to one C(37), one C(45), and one N(36) atom. The C(44)-C(45) bond length is 1.40 Å. The C(44)-N(36) bond length is 1.34 Å. In the forty-third C site, C(45) is bonded in a distorted single-bond geometry to one C(44) and one H(21) atom. The C(45)-H(21) bond length is 1.09 Å. In the forty-fourth C site, C(47) is bonded in a distorted single-bond geometry to one C(48) and one H(23) atom. The C(47)-C(48) bond length is 1.40 Å. The C(47)-H(23) bond length is 1.09 Å. In the forty-fifth C site, C(48) is bonded in a distorted trigonal planar geometry to one C(47), one N(36), and one H(24) atom. The C(48)-N(36) bond length is 1.34 Å. The C(48)-H(24) bond length is 1.09 Å. There are thirty-six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.34 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.34 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.35 Å. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one C(1) and one N(3) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Zn(1), one C(2), and one N(6) atom. The N(5)-N(6) bond length is 1.33 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one N(5) and one N(7) atom. The N(6)-N(7) bond length is 1.32 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Zn(2), one N(6), and one N(8) atom. The N(7)-N(8) bond length is 1.34 Å. In the eighth N site, N(8) is bonded in a distorted water-like geometry to one C(2) and one N(7) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(1), one C(3), and one C(6) atom. In the tenth N site, N(10) is bonded in a bent 120 degrees geometry to one C(4) and one C(5) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Zn(1), one C(11), and one C(7) atom. In the twelfth N site, N(12) is bonded in a bent 120 degrees geometry to one C(12) and one C(16) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Zn(2), one C(17), and one N(14) atom. The N(13)-N(14) bond length is 1.34 Å. In the fourteenth N site, N(14) is bonded in a water-like geometry to one N(13) and one N(15) atom. The N(14)-N(15) bond length is 1.33 Å. In the fifteenth N site, N(15) is bonded in a water-like geometry to one N(14) and one N(16) atom. The N(15)-N(16) bond length is 1.35 Å. In the sixteenth N site, N(16) is bonded in a distorted water-like geometry to one C(17) and one N(15) atom. In the seventeenth N site, N(17) is bonded in a distorted bent 120 degrees geometry to one Zn(3), one C(18), and one N(18) atom. The N(17)-N(18) bond length is 1.35 Å. In the eighteenth N site, N(18) is bonded in a water-like geometry to one N(17) and one N(19) atom. The N(18)-N(19) bond length is 1.31 Å. In the nineteenth N site, N(19) is bonded in a water-like geometry to one N(18) and one N(20) atom. The N(19)-N(20) bond length is 1.36 Å. In the twentieth N site, N(20) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(18), and one N(19) atom. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one Zn(2), one C(19), and one C(22) atom. In the twenty-second N site, N(22) is bonded in a bent 120 degrees geometry to one C(20) and one C(21) atom. In the twenty-third N site, N(23) is bonded in a trigonal planar geometry to one Zn(2), one C(23), and one C(27) atom. In the twenty-fourth N site, N(24) is bonded in a bent 120 degrees geometry to one C(28) and one C(32) atom. In the twenty-fifth N site, N(25) is bonded in a distorted bent 120 degrees geometry to one Zn(3), one C(33), and one N(26) atom. The N(25)-N(26) bond length is 1.34 Å. In the twenty-sixth N site, N(26) is bonded in a water-like geometry to one N(25) and one N(27) atom. The N(26)-N(27) bond length is 1.33 Å. In the twenty-seventh N site, N(27) is bonded in a water-like geometry to one N(26) and one N(28) atom. The N(27)-N(28) bond length is 1.35 Å. In the twenty-eighth N site, N(28) is bonded in a distorted single-bond geometry to one C(33) and one N(27) atom. In the twenty-ninth N site, N(29) is bonded in a distorted single-bond geometry to one C(34) and one N(30) atom. The N(29)-N(30) bond length is 1.34 Å. In the thirtieth N site, N(30) is bonded in a distorted trigonal planar geometry to one Zn(1), one N(29), and one N(31) atom. The N(30)-N(31) bond length is 1.31 Å. In the thirty-first N site, N(31) is bonded in a water-like geometry to one N(30) and one N(32) atom. The N(31)-N(32) bond length is 1.33 Å. In the thirty-second N site, N(32) is bonded in a 3-coordinate geometry to one Zn(3), one C(34), and one N(31) atom. In the thirty-third N site, N(33) is bonded in a trigonal planar geometry to one Zn(3), one C(35), and one C(38) atom. In the thirty-fourth N site, N(34) is bonded in a bent 120 degrees geometry to one C(36) and one C(37) atom. In the thirty-fifth N site, N(35) is bonded in a trigonal planar geometry to one Zn(3), one C(39), and one C(43) atom. In the thirty-sixth N site, N(36) is bonded in a bent 120 degrees geometry to one C(44) and one C(48) atom. There are twenty-one inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(8) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(24) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(25) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(26) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(27) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(29) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(30) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(31) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(32) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(40) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(41) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(42) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(43) atom. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(45) atom. In the twentieth H site, H(23) is bonded in a single-bond geometry to one C(47) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one C(48) atom. Linkers: 2 c1ccc(-c2nc(C3=NN=N[N]3)c(C3=N[N]N=N3)nc2-c2ccccn2)nc1 ,4 c1ccc(-c2nc(C3=NN=N[N]3)c(C3=NN=N[N]3)nc2-c2ccccn2)nc1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 5.59 A, density 1.45 g/cm3, surface area 4042.50 m2/g, accessible volume 0.26 cm3/g