ZnH6(C5N2)2(CH)4(CO2)2 crystallizes in the triclinic P1 space group. The structure consists of twenty-four 02329_fluka molecules and twelve carbon dioxide molecules inside a ZnH6(C5N2)2 framework. In the ZnH6(C5N2)2 framework, there are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(13), one N(24), and one N(9) atom. The Zn(1)-N(1) bond length is 2.03 Å. The Zn(1)-N(13) bond length is 2.03 Å. The Zn(1)-N(24) bond length is 2.02 Å. The Zn(1)-N(9) bond length is 2.01 Å. In the second Zn site, Zn(2,5) is bonded in a tetrahedral geometry to one N(14), one N(2), one N(22), and one N(7) atom. The Zn(2,5)-N(14) bond length is 2.03 Å. The Zn(2,5)-N(2) bond length is 2.03 Å. The Zn(2,5)-N(22) bond length is 2.02 Å. The Zn(2,5)-N(7) bond length is 2.01 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(15); one N(23); one N(3,6); and one N(8,10) atom. The Zn(3)-N(15) bond length is 2.03 Å. The Zn(3)-N(23) bond length is 2.02 Å. The Zn(3)-N(3,6) bond length is 2.03 Å. The Zn(3)-N(8,10) bond length is 2.01 Å. In the fourth Zn site, Zn(4) is bonded in a tetrahedral geometry to one N(12), one N(16), one N(21), and one N(4) atom. The Zn(4)-N(12) bond length is 2.01 Å. The Zn(4)-N(16) bond length is 2.03 Å. The Zn(4)-N(21) bond length is 2.02 Å. The Zn(4)-N(4) bond length is 2.03 Å. In the fifth Zn site, Zn(6) is bonded in a tetrahedral geometry to one N(11); one N(18); one N(20); and one N(3,6) atom. The Zn(6)-N(11) bond length is 2.01 Å. The Zn(6)-N(18) bond length is 2.03 Å. The Zn(6)-N(20) bond length is 2.02 Å. The Zn(6)-N(3,6) bond length is 2.03 Å. There are thirty-nine inequivalent C sites. In the first C site, C(1,4) is bonded in a trigonal planar geometry to one N(1); one N(7); and one H(1,2,3,4,6) atom. The C(1,4)-N(1) bond length is 1.35 Å. The C(1,4)-N(7) bond length is 1.35 Å. The C(1,4)-H(1,2,3,4,6) bond length is 1.08 Å. In the second C site, C(2,5) is bonded in a trigonal planar geometry to one N(2); one N(8,10); and one H(1,2,3,4,6) atom. The C(2,5)-N(2) bond length is 1.35 Å. The C(2,5)-N(8,10) bond length is 1.35 Å. The C(2,5)-H(1,2,3,4,6) bond length is 1.08 Å. In the third C site, C(3,6) is bonded in a trigonal planar geometry to one N(3,6); one N(9); and one H(1,2,3,4,6) atom. The C(3,6)-N(3,6) bond length is 1.35 Å. The C(3,6)-N(9) bond length is 1.35 Å. The C(3,6)-H(1,2,3,4,6) bond length is 1.08 Å. In the fourth C site, C(7,10) is bonded in a distorted single-bond geometry to one C(13,14,15,18); one C(31); and one N(1) atom. The C(7,10)-C(13,14,15,18) bond length is 1.40 Å. The C(7,10)-C(31) bond length is 1.42 Å. The C(7,10)-N(1) bond length is 1.39 Å. In the fifth C site, C(8,11) is bonded in a distorted single-bond geometry to one C(13,14,15,18); one C(32,33,36); and one N(2) atom. The C(8,11)-C(13,14,15,18) bond length is 1.40 Å. The C(8,11)-C(32,33,36) bond length is 1.42 Å. The C(8,11)-N(2) bond length is 1.39 Å. In the sixth C site, C(9,12) is bonded in a distorted single-bond geometry to one C(13,14,15,18); one C(32,33,36); and one N(3,6) atom. The C(9,12)-C(13,14,15,18) bond length is 1.40 Å. The C(9,12)-C(32,33,36) bond length is 1.42 Å. The C(9,12)-N(3,6) bond length is 1.39 Å. In the seventh C site, C(13,14,15,18) is bonded in a distorted single-bond geometry to one C(7,10) and one H(7,8,10,11) atom. The C(13,14,15,18)-H(7,8,10,11) bond length is 1.09 Å. In the eighth C site, C(16) is bonded in a distorted single-bond geometry to one C(7,10) and one H(7,8,10,11) atom. The C(16)-C(7,10) bond length is 1.40 Å. The C(16)-H(7,8,10,11) bond length is 1.09 Å. In the ninth C site, C(17) is bonded in a distorted single-bond geometry to one C(8,11) and one H(7,8,10,11) atom. The C(17)-C(8,11) bond length is 1.40 Å. The C(17)-H(7,8,10,11) bond length is 1.09 Å. In the tenth C site, C(31) is bonded in a distorted single-bond geometry to one C(37,38,40,41); one C(7,10); and one N(7) atom. The C(31)-C(37,38,40,41) bond length is 1.40 Å. The C(31)-N(7) bond length is 1.39 Å. In the eleventh C site, C(32,33,36) is bonded in a distorted single-bond geometry to one C(37,38,40,41); one C(8,11); and one N(8,10) atom. The C(32,33,36)-C(37,38,40,41) bond length is 1.40 Å. The C(32,33,36)-N(8,10) bond length is 1.39 Å. In the twelfth C site, C(34) is bonded in a distorted single-bond geometry to one C(37,38,40,41); one C(7,10); and one N(8,10) atom. The C(34)-C(37,38,40,41) bond length is 1.40 Å. The C(34)-C(7,10) bond length is 1.42 Å. The C(34)-N(8,10) bond length is 1.39 Å. In the thirteenth C site, C(35) is bonded in a distorted single-bond geometry to one C(37,38,40,41); one C(8,11); and one N(11) atom. The C(35)-C(37,38,40,41) bond length is 1.40 Å. The C(35)-C(8,11) bond length is 1.42 Å. The C(35)-N(11) bond length is 1.39 Å. In the fourteenth C site, C(37,38,40,41) is bonded in a distorted single-bond geometry to one C(31) and one H(25,26,27,28,29,30) atom. The C(37,38,40,41)-H(25,26,27,28,29,30) bond length is 1.09 Å. In the fifteenth C site, C(39,42) is bonded in a distorted single-bond geometry to one C(32,33,36) and one H(25,26,27,28,29,30) atom. The C(39,42)-C(32,33,36) bond length is 1.40 Å. The C(39,42)-H(25,26,27,28,29,30) bond length is 1.09 Å. In the sixteenth C site, C(43,46) is bonded in a trigonal planar geometry to one N(13), one N(19), and one H(31) atom. The C(43,46)-N(13) bond length is 1.35 Å. The C(43,46)-N(19) bond length is 1.35 Å. The C(43,46)-H(31) bond length is 1.09 Å. In the seventeenth C site, C(44,47) is bonded in a trigonal planar geometry to one N(14); one N(20); and one H(32,35) atom. The C(44,47)-N(14) bond length is 1.35 Å. The C(44,47)-N(20) bond length is 1.35 Å. The C(44,47)-H(32,35) bond length is 1.09 Å. In the eighteenth C site, C(45) is bonded in a trigonal planar geometry to one N(15), one N(21), and one H(33) atom. The C(45)-N(15) bond length is 1.35 Å. The C(45)-N(21) bond length is 1.35 Å. The C(45)-H(33) bond length is 1.09 Å. In the nineteenth C site, C(48) is bonded in a trigonal planar geometry to one N(18); one N(24); and one H(34,36) atom. The C(48)-N(18) bond length is 1.35 Å. The C(48)-N(24) bond length is 1.35 Å. The C(48)-H(34,36) bond length is 1.09 Å. In the twentieth C site, C(49) is bonded in a distorted single-bond geometry to one C(55,56); one C(61); and one N(19) atom. The C(49)-C(55,56) bond length is 1.40 Å. The C(49)-C(61) bond length is 1.42 Å. The C(49)-N(19) bond length is 1.39 Å. In the twenty-first C site, C(50,53) is bonded in a distorted single-bond geometry to one C(55,56); one C(62); and one N(20) atom. The C(50,53)-C(55,56) bond length is 1.40 Å. The C(50,53)-C(62) bond length is 1.42 Å. The C(50,53)-N(20) bond length is 1.39 Å. In the twenty-second C site, C(51) is bonded in a distorted single-bond geometry to one C(57), one C(63), and one N(21) atom. The C(51)-C(57) bond length is 1.40 Å. The C(51)-C(63) bond length is 1.42 Å. The C(51)-N(21) bond length is 1.39 Å. In the twenty-third C site, C(52) is bonded in a distorted single-bond geometry to one C(58), one C(64), and one N(22) atom. The C(52)-C(58) bond length is 1.40 Å. The C(52)-C(64) bond length is 1.42 Å. The C(52)-N(22) bond length is 1.39 Å. In the twenty-fourth C site, C(54) is bonded in a distorted single-bond geometry to one C(59,60); one C(66); and one N(24) atom. The C(54)-C(59,60) bond length is 1.40 Å. The C(54)-C(66) bond length is 1.42 Å. The C(54)-N(24) bond length is 1.39 Å. In the twenty-fifth C site, C(55,56) is bonded in a distorted single-bond geometry to one C(49) and one H(37,40,42) atom. The C(55,56)-H(37,40,42) bond length is 1.09 Å. In the twenty-sixth C site, C(57) is bonded in a distorted single-bond geometry to one C(51) and one H(39) atom. The C(57)-H(39) bond length is 1.09 Å. In the twenty-seventh C site, C(58) is bonded in a distorted single-bond geometry to one C(52) and one H(37,40,42) atom. The C(58)-H(37,40,42) bond length is 1.09 Å. In the twenty-eighth C site, C(59,60) is bonded in a distorted single-bond geometry to one C(50,53) and one H(38,41) atom. The C(59,60)-C(50,53) bond length is 1.40 Å. The C(59,60)-H(38,41) bond length is 1.09 Å. In the twenty-ninth C site, C(61) is bonded in a distorted single-bond geometry to one C(49), one C(67), and one N(13) atom. The C(61)-C(67) bond length is 1.40 Å. The C(61)-N(13) bond length is 1.39 Å. In the thirtieth C site, C(62) is bonded in a distorted single-bond geometry to one C(50,53); one C(68,71); and one N(14) atom. The C(62)-C(68,71) bond length is 1.40 Å. The C(62)-N(14) bond length is 1.39 Å. In the thirty-first C site, C(63) is bonded in a distorted single-bond geometry to one C(51), one C(69), and one N(15) atom. The C(63)-C(69) bond length is 1.40 Å. The C(63)-N(15) bond length is 1.39 Å. In the thirty-second C site, C(64) is bonded in a distorted single-bond geometry to one C(52), one C(70), and one N(16) atom. The C(64)-C(70) bond length is 1.40 Å. The C(64)-N(16) bond length is 1.39 Å. In the thirty-third C site, C(65) is bonded in a distorted single-bond geometry to one C(50,53); one C(68,71); and one N(17) atom. The C(65)-C(50,53) bond length is 1.42 Å. The C(65)-C(68,71) bond length is 1.40 Å. The C(65)-N(17) bond length is 1.39 Å. In the thirty-fourth C site, C(66) is bonded in a distorted single-bond geometry to one C(54), one C(72), and one N(18) atom. The C(66)-C(72) bond length is 1.40 Å. The C(66)-N(18) bond length is 1.39 Å. In the thirty-fifth C site, C(67) is bonded in a distorted single-bond geometry to one C(61) and one H(43,44,46,47,48) atom. The C(67)-H(43,44,46,47,48) bond length is 1.09 Å. In the thirty-sixth C site, C(68,71) is bonded in a distorted single-bond geometry to one C(62) and one H(43,44,46,47,48) atom. The C(68,71)-H(43,44,46,47,48) bond length is 1.09 Å. In the thirty-seventh C site, C(69) is bonded in a distorted single-bond geometry to one C(63) and one H(45) atom. The C(69)-H(45) bond length is 1.09 Å. In the thirty-eighth C site, C(70) is bonded in a distorted single-bond geometry to one C(64) and one H(43,44,46,47,48) atom. The C(70)-H(43,44,46,47,48) bond length is 1.09 Å. In the thirty-ninth C site, C(72) is bonded in a distorted single-bond geometry to one C(66) and one H(43,44,46,47,48) atom. The C(72)-H(43,44,46,47,48) bond length is 1.09 Å. There are twenty-two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1); one C(1,4); and one C(7,10) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(2,5); one C(2,5); and one C(8,11) atom. In the third N site, N(3,6) is bonded in a distorted trigonal planar geometry to one Zn(3); one C(3,6); and one C(9,12) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(4); one C(1,4); and one C(7,10) atom. The N(4)-C(1,4) bond length is 1.35 Å. The N(4)-C(7,10) bond length is 1.39 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Zn(2,5); one C(2,5); and one C(8,11) atom. The N(5)-Zn(2,5) bond length is 2.03 Å. The N(5)-C(2,5) bond length is 1.35 Å. The N(5)-C(8,11) bond length is 1.39 Å. In the sixth N site, N(7) is bonded in a trigonal planar geometry to one Zn(2,5); one C(1,4); and one C(31) atom. In the seventh N site, N(8,10) is bonded in a trigonal planar geometry to one Zn(3); one C(2,5); and one C(32,33,36) atom. In the eighth N site, N(9) is bonded in a trigonal planar geometry to one Zn(1); one C(3,6); and one C(32,33,36) atom. The N(9)-C(32,33,36) bond length is 1.39 Å. In the ninth N site, N(11) is bonded in a trigonal planar geometry to one Zn(6); one C(2,5); and one C(35) atom. The N(11)-C(2,5) bond length is 1.35 Å. In the tenth N site, N(12) is bonded in a trigonal planar geometry to one Zn(4); one C(3,6); and one C(32,33,36) atom. The N(12)-C(3,6) bond length is 1.35 Å. The N(12)-C(32,33,36) bond length is 1.39 Å. In the eleventh N site, N(13) is bonded in a trigonal planar geometry to one Zn(1); one C(43,46); and one C(61) atom. In the twelfth N site, N(14) is bonded in a trigonal planar geometry to one Zn(2,5); one C(44,47); and one C(62) atom. In the thirteenth N site, N(15) is bonded in a trigonal planar geometry to one Zn(3), one C(45), and one C(63) atom. In the fourteenth N site, N(16) is bonded in a trigonal planar geometry to one Zn(4); one C(43,46); and one C(64) atom. The N(16)-C(43,46) bond length is 1.35 Å. In the fifteenth N site, N(17) is bonded in a trigonal planar geometry to one Zn(2,5); one C(44,47); and one C(65) atom. The N(17)-Zn(2,5) bond length is 2.03 Å. The N(17)-C(44,47) bond length is 1.35 Å. In the sixteenth N site, N(18) is bonded in a trigonal planar geometry to one Zn(6), one C(48), and one C(66) atom. In the seventeenth N site, N(19) is bonded in a trigonal planar geometry to one Zn(2,5); one C(43,46); and one C(49) atom. The N(19)-Zn(2,5) bond length is 2.02 Å. In the eighteenth N site, N(20) is bonded in a trigonal planar geometry to one Zn(6); one C(44,47); and one C(50,53) atom. In the nineteenth N site, N(21) is bonded in a trigonal planar geometry to one Zn(4), one C(45), and one C(51) atom. In the twentieth N site, N(22) is bonded in a trigonal planar geometry to one Zn(2,5); one C(43,46); and one C(52) atom. The N(22)-C(43,46) bond length is 1.35 Å. In the twenty-first N site, N(23) is bonded in a trigonal planar geometry to one Zn(3); one C(44,47); and one C(50,53) atom. The N(23)-C(44,47) bond length is 1.35 Å. The N(23)-C(50,53) bond length is 1.39 Å. In the twenty-second N site, N(24) is bonded in a trigonal planar geometry to one Zn(1), one C(48), and one C(54) atom. There are fourteen inequivalent H sites. In the first H site, H(1,2,3,4,6) is bonded in a single-bond geometry to one C(1,4) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(2,5) atom. The H(5)-C(2,5) bond length is 1.08 Å. In the third H site, H(7,8,10,11) is bonded in a single-bond geometry to one C(13,14,15,18) atom. In the fourth H site, H(9,12) is bonded in a single-bond geometry to one C(13,14,15,18) atom. The H(9,12)-C(13,14,15,18) bond length is 1.09 Å. In the fifth H site, H(25,26,27,28,29,30) is bonded in a single-bond geometry to one C(37,38,40,41) atom. In the sixth H site, H(31) is bonded in a single-bond geometry to one C(43,46) atom. In the seventh H site, H(32,35) is bonded in a single-bond geometry to one C(44,47) atom. In the eighth H site, H(33) is bonded in a single-bond geometry to one C(45) atom. In the ninth H site, H(34,36) is bonded in a single-bond geometry to one C(43,46) atom. The H(34,36)-C(43,46) bond length is 1.09 Å. In the tenth H site, H(37,40,42) is bonded in a single-bond geometry to one C(55,56) atom. In the eleventh H site, H(38,41) is bonded in a single-bond geometry to one C(55,56) atom. The H(38,41)-C(55,56) bond length is 1.09 Å. In the twelfth H site, H(39) is bonded in a single-bond geometry to one C(57) atom. In the thirteenth H site, H(43,44,46,47,48) is bonded in a single-bond geometry to one C(67) atom. In the fourteenth H site, H(45) is bonded in a single-bond geometry to one C(69) atom. Linkers: 9 C1=Nc2ccccc2[N]1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 5.34 A, density 1.56 g/cm3, surface area 4617.49 m2/g, accessible volume 0.20 cm3/g