(ZnC5N8H6)2(CH2)2(CH3)2H2 crystallizes in the triclinic P1 space group. The structure consists of six 02329_fluka molecules, six 02329_fluka molecules, and three 1333-74-0 molecules inside a ZnC5N8H6 framework. In the ZnC5N8H6 framework, there are four inequivalent Zn sites. In the first Zn site, Zn(1,4) is bonded in a tetrahedral geometry to one N(1,4); one N(13,16); one N(29); and one N(31,34) atom. The Zn(1,4)-N(1,4) bond length is 1.98 Å. The Zn(1,4)-N(13,16) bond length is 1.99 Å. The Zn(1,4)-N(29) bond length is 2.02 Å. The Zn(1,4)-N(31,34) bond length is 1.99 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(14,17); one N(25,28); one N(32,35); and one N(6) atom. The Zn(2)-N(14,17) bond length is 1.99 Å. The Zn(2)-N(25,28) bond length is 2.03 Å. The Zn(2)-N(32,35) bond length is 1.99 Å. The Zn(2)-N(6) bond length is 1.98 Å. In the third Zn site, Zn(3,6) is bonded in a tetrahedral geometry to one N(15); one N(2,5); one N(27,30); and one N(33,36) atom. The Zn(3,6)-N(15) bond length is 1.99 Å. The Zn(3,6)-N(2,5) bond length is 1.99 Å. The Zn(3,6)-N(27,30) bond length is 2.01 Å. The Zn(3,6)-N(33,36) bond length is 1.98 Å. In the fourth Zn site, Zn(5) is bonded in a tetrahedral geometry to one N(14,17); one N(25,28); one N(3); and one N(32,35) atom. The Zn(5)-N(14,17) bond length is 1.99 Å. The Zn(5)-N(25,28) bond length is 2.02 Å. The Zn(5)-N(3) bond length is 1.98 Å. The Zn(5)-N(32,35) bond length is 1.99 Å. There are twenty-one inequivalent C sites. In the first C site, C(1,4) is bonded in a trigonal planar geometry to one N(1,4); one N(13,16); and one N(19,22) atom. The C(1,4)-N(1,4) bond length is 1.34 Å. The C(1,4)-N(13,16) bond length is 1.36 Å. The C(1,4)-N(19,22) bond length is 1.38 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(14,17); one N(2,5); and one N(20,23) atom. The C(2)-N(14,17) bond length is 1.36 Å. The C(2)-N(2,5) bond length is 1.34 Å. The C(2)-N(20,23) bond length is 1.37 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(15), one N(21), and one N(3) atom. The C(3)-N(15) bond length is 1.36 Å. The C(3)-N(21) bond length is 1.38 Å. The C(3)-N(3) bond length is 1.34 Å. In the fourth C site, C(5) is bonded in a trigonal planar geometry to one N(14,17); one N(2,5); and one N(20,23) atom. The C(5)-N(14,17) bond length is 1.36 Å. The C(5)-N(2,5) bond length is 1.34 Å. The C(5)-N(20,23) bond length is 1.37 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one N(18), one N(24), and one N(6) atom. The C(6)-N(18) bond length is 1.36 Å. The C(6)-N(24) bond length is 1.38 Å. The C(6)-N(6) bond length is 1.34 Å. In the sixth C site, C(7,10) is bonded in a distorted trigonal planar geometry to one C(13,16); one N(13,16); and one N(7,10) atom. The C(7,10)-C(13,16) bond length is 1.50 Å. The C(7,10)-N(13,16) bond length is 1.37 Å. The C(7,10)-N(7,10) bond length is 1.33 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(14,17); one N(14,17); and one N(8,11) atom. The C(8)-C(14,17) bond length is 1.50 Å. The C(8)-N(14,17) bond length is 1.37 Å. The C(8)-N(8,11) bond length is 1.33 Å. In the eighth C site, C(9,12) is bonded in a distorted trigonal planar geometry to one C(15,18); one N(15); and one N(9) atom. The C(9,12)-C(15,18) bond length is 1.50 Å. The C(9,12)-N(15) bond length is 1.37 Å. The C(9,12)-N(9) bond length is 1.33 Å. In the ninth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(14,17); one N(14,17); and one N(8,11) atom. The C(11)-C(14,17) bond length is 1.50 Å. The C(11)-N(14,17) bond length is 1.37 Å. The C(11)-N(8,11) bond length is 1.33 Å. In the tenth C site, C(13,16) is bonded in a water-like geometry to one C(19); one C(7,10); one H(25,28); and one H(31,34) atom. The C(13,16)-C(19) bond length is 1.50 Å. The C(13,16)-H(25,28) bond length is 1.10 Å. The C(13,16)-H(31,34) bond length is 1.10 Å. In the eleventh C site, C(14,17) is bonded in a water-like geometry to one C(20); one C(8); one H(26,29); and one H(32,35) atom. The C(14,17)-C(20) bond length is 1.49 Å. The C(14,17)-H(26,29) bond length is 1.10 Å. The C(14,17)-H(32,35) bond length is 1.10 Å. In the twelfth C site, C(15,18) is bonded in a water-like geometry to one C(21,24); one C(9,12); one H(27,30); and one H(33,36) atom. The C(15,18)-C(21,24) bond length is 1.49 Å. The C(15,18)-H(27,30) bond length is 1.10 Å. The C(15,18)-H(33,36) bond length is 1.10 Å. In the thirteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(13,16); one N(25,28); and one N(31,34) atom. The C(19)-N(25,28) bond length is 1.37 Å. The C(19)-N(31,34) bond length is 1.33 Å. In the fourteenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(14,17); one N(26); and one N(32,35) atom. The C(20)-N(26) bond length is 1.37 Å. The C(20)-N(32,35) bond length is 1.33 Å. In the fifteenth C site, C(21,24) is bonded in a distorted trigonal planar geometry to one C(15,18); one N(27,30); and one N(33,36) atom. The C(21,24)-N(27,30) bond length is 1.37 Å. The C(21,24)-N(33,36) bond length is 1.33 Å. In the sixteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(13,16); one N(25,28); and one N(31,34) atom. The C(22)-C(13,16) bond length is 1.50 Å. The C(22)-N(25,28) bond length is 1.37 Å. The C(22)-N(31,34) bond length is 1.33 Å. In the seventeenth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(14,17); one N(29); and one N(32,35) atom. The C(23)-C(14,17) bond length is 1.49 Å. The C(23)-N(29) bond length is 1.37 Å. The C(23)-N(32,35) bond length is 1.33 Å. In the eighteenth C site, C(25) is bonded in a trigonal planar geometry to one N(25,28); one N(37,40); and one N(43,46) atom. The C(25)-N(25,28) bond length is 1.38 Å. The C(25)-N(37,40) bond length is 1.34 Å. The C(25)-N(43,46) bond length is 1.37 Å. In the nineteenth C site, C(26,29) is bonded in a trigonal planar geometry to one N(26), one N(38), and one N(44) atom. The C(26,29)-N(26) bond length is 1.38 Å. The C(26,29)-N(38) bond length is 1.34 Å. The C(26,29)-N(44) bond length is 1.36 Å. In the twentieth C site, C(27,30) is bonded in a trigonal planar geometry to one N(27,30); one N(39,42); and one N(45,48) atom. The C(27,30)-N(27,30) bond length is 1.38 Å. The C(27,30)-N(39,42) bond length is 1.33 Å. The C(27,30)-N(45,48) bond length is 1.37 Å. In the twenty-first C site, C(28) is bonded in a trigonal planar geometry to one N(25,28); one N(37,40); and one N(43,46) atom. The C(28)-N(25,28) bond length is 1.38 Å. The C(28)-N(37,40) bond length is 1.34 Å. The C(28)-N(43,46) bond length is 1.37 Å. There are thirty-one inequivalent N sites. In the first N site, N(9) is bonded in a distorted water-like geometry to one C(9,12) and one N(3) atom. The N(9)-N(3) bond length is 1.39 Å. In the second N site, N(12) is bonded in a distorted water-like geometry to one C(9,12) and one N(6) atom. The N(12)-C(9,12) bond length is 1.33 Å. The N(12)-N(6) bond length is 1.39 Å. In the third N site, N(13,16) is bonded in a trigonal planar geometry to one Zn(1,4); one C(1,4); and one C(7,10) atom. In the fourth N site, N(14,17) is bonded in a trigonal planar geometry to one Zn(2), one C(2), and one C(8) atom. In the fifth N site, N(15) is bonded in a trigonal planar geometry to one Zn(3,6); one C(3); and one C(9,12) atom. In the sixth N site, N(18) is bonded in a trigonal planar geometry to one Zn(3,6); one C(6); and one C(9,12) atom. The N(18)-Zn(3,6) bond length is 1.99 Å. The N(18)-C(9,12) bond length is 1.37 Å. In the seventh N site, N(19,22) is bonded in a distorted trigonal non-coplanar geometry to one C(1,4); one H(1,4); and one H(7,10) atom. The N(19,22)-H(1,4) bond length is 1.03 Å. The N(19,22)-H(7,10) bond length is 1.02 Å. In the eighth N site, N(20,23) is bonded in a distorted trigonal non-coplanar geometry to one C(2); one H(2,5); and one H(8,11) atom. The N(20,23)-H(2,5) bond length is 1.03 Å. The N(20,23)-H(8,11) bond length is 1.02 Å. In the ninth N site, N(21) is bonded in a distorted trigonal non-coplanar geometry to one C(3); one H(3,6); and one H(9,12) atom. The N(21)-H(3,6) bond length is 1.03 Å. The N(21)-H(9,12) bond length is 1.02 Å. In the tenth N site, N(24) is bonded in a distorted trigonal non-coplanar geometry to one C(6); one H(3,6); and one H(9,12) atom. The N(24)-H(3,6) bond length is 1.03 Å. The N(24)-H(9,12) bond length is 1.02 Å. In the eleventh N site, N(25,28) is bonded in a trigonal planar geometry to one Zn(5), one C(19), and one C(25) atom. In the twelfth N site, N(27,30) is bonded in a trigonal planar geometry to one Zn(3,6); one C(21,24); and one C(27,30) atom. In the thirteenth N site, N(29) is bonded in a trigonal planar geometry to one Zn(1,4); one C(23); and one C(26,29) atom. The N(29)-C(26,29) bond length is 1.38 Å. In the fourteenth N site, N(31,34) is bonded in a distorted trigonal planar geometry to one Zn(1,4); one C(19); and one N(37,40) atom. The N(31,34)-N(37,40) bond length is 1.38 Å. In the fifteenth N site, N(33,36) is bonded in a distorted trigonal planar geometry to one Zn(3,6); one C(21,24); and one N(39,42) atom. The N(33,36)-N(39,42) bond length is 1.38 Å. In the sixteenth N site, N(37,40) is bonded in a distorted water-like geometry to one C(25) and one N(31,34) atom. In the seventeenth N site, N(38) is bonded in a distorted water-like geometry to one C(26,29) and one N(32,35) atom. The N(38)-N(32,35) bond length is 1.38 Å. In the eighteenth N site, N(39,42) is bonded in a distorted water-like geometry to one C(27,30) and one N(33,36) atom. In the nineteenth N site, N(41) is bonded in a distorted water-like geometry to one C(26,29) and one N(32,35) atom. The N(41)-C(26,29) bond length is 1.34 Å. The N(41)-N(32,35) bond length is 1.38 Å. In the twentieth N site, N(43,46) is bonded in a distorted trigonal planar geometry to one C(25); one H(13,16); and one H(19,22) atom. The N(43,46)-H(13,16) bond length is 1.01 Å. The N(43,46)-H(19,22) bond length is 1.02 Å. In the twenty-first N site, N(44) is bonded in a distorted trigonal planar geometry to one C(26,29); one H(14,17); and one H(20,23) atom. The N(44)-H(14,17) bond length is 1.01 Å. The N(44)-H(20,23) bond length is 1.02 Å. In the twenty-second N site, N(45,48) is bonded in a distorted trigonal non-coplanar geometry to one C(27,30); one H(15,18); and one H(21,24) atom. The N(45,48)-H(15,18) bond length is 1.02 Å. The N(45,48)-H(21,24) bond length is 1.02 Å. In the twenty-third N site, N(47) is bonded in a distorted trigonal planar geometry to one C(26,29); one H(14,17); and one H(20,23) atom. The N(47)-C(26,29) bond length is 1.36 Å. The N(47)-H(14,17) bond length is 1.01 Å. The N(47)-H(20,23) bond length is 1.02 Å. In the twenty-fourth N site, N(32,35) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(20), and one N(38) atom. In the twenty-fifth N site, N(26) is bonded in a trigonal planar geometry to one Zn(1,4); one C(20); and one C(26,29) atom. The N(26)-Zn(1,4) bond length is 2.02 Å. In the twenty-sixth N site, N(1,4) is bonded in a 3-coordinate geometry to one Zn(1,4); one C(1,4); and one N(7,10) atom. The N(1,4)-N(7,10) bond length is 1.39 Å. In the twenty-seventh N site, N(2,5) is bonded in a 3-coordinate geometry to one Zn(3,6); one C(2); and one N(8,11) atom. The N(2,5)-N(8,11) bond length is 1.39 Å. In the twenty-eighth N site, N(3) is bonded in a 3-coordinate geometry to one Zn(5), one C(3), and one N(9) atom. In the twenty-ninth N site, N(6) is bonded in a 3-coordinate geometry to one Zn(2), one C(6), and one N(12) atom. In the thirtieth N site, N(7,10) is bonded in a distorted water-like geometry to one C(7,10) and one N(1,4) atom. In the thirty-first N site, N(8,11) is bonded in a distorted water-like geometry to one C(8) and one N(2,5) atom. There are eighteen inequivalent H sites. In the first H site, H(1,4) is bonded in a single-bond geometry to one N(19,22) atom. In the second H site, H(2,5) is bonded in a single-bond geometry to one N(20,23) atom. In the third H site, H(3,6) is bonded in a single-bond geometry to one N(21) atom. In the fourth H site, H(7,10) is bonded in a single-bond geometry to one N(19,22) atom. In the fifth H site, H(8,11) is bonded in a single-bond geometry to one N(20,23) atom. In the sixth H site, H(9,12) is bonded in a single-bond geometry to one N(21) atom. In the seventh H site, H(13,16) is bonded in a single-bond geometry to one N(43,46) atom. In the eighth H site, H(14,17) is bonded in a single-bond geometry to one N(44) atom. In the ninth H site, H(15,18) is bonded in a single-bond geometry to one N(45,48) atom. In the tenth H site, H(19,22) is bonded in a single-bond geometry to one N(43,46) atom. In the eleventh H site, H(20,23) is bonded in a single-bond geometry to one N(44) atom. In the twelfth H site, H(21,24) is bonded in a single-bond geometry to one N(45,48) atom. In the thirteenth H site, H(25,28) is bonded in a single-bond geometry to one C(13,16) atom. In the fourteenth H site, H(26,29) is bonded in a single-bond geometry to one C(14,17) atom. In the fifteenth H site, H(27,30) is bonded in a single-bond geometry to one C(15,18) atom. In the sixteenth H site, H(31,34) is bonded in a single-bond geometry to one C(13,16) atom. In the seventeenth H site, H(32,35) is bonded in a single-bond geometry to one C(14,17) atom. In the eighteenth H site, H(33,36) is bonded in a single-bond geometry to one C(15,18) atom. Linkers: 5 NC1=NN=C([N]1)CC1=[N]=C(N=N1)N ,1 NC1=NN=C(CC2=N[N]C(N)=N2)[N]1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 3.66 A, density 1.60 g/cm3, surface area 4587.69 m2/g, accessible volume 0.18 cm3/g