ZnC12N3H8OCl crystallizes in the triclinic P1 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(5,6,7,8); one O(3); and one Cl(1,2,3,4) atom. The Zn(1)-N(1) bond length is 2.04 Å. The Zn(1)-N(5,6,7,8) bond length is 2.03 Å. The Zn(1)-O(3) bond length is 2.03 Å. The Zn(1)-Cl(1,2,3,4) bond length is 2.23 Å. In the second Zn site, Zn(2,3,4) is bonded in a tetrahedral geometry to one N(2,3,4); one N(5,6,7,8); one O(2,4); and one Cl(1,2,3,4) atom. The Zn(2,3,4)-N(2,3,4) bond length is 2.04 Å. The Zn(2,3,4)-N(5,6,7,8) bond length is 2.03 Å. The Zn(2,3,4)-O(2,4) bond length is 2.03 Å. The Zn(2,3,4)-Cl(1,2,3,4) bond length is 2.23 Å. There are nineteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(17,18,19,20); one C(21,22,23,24); and one C(37) atom. The C(1)-C(17,18,19,20) bond length is 1.40 Å. The C(1)-C(21,22,23,24) bond length is 1.40 Å. The C(1)-C(37) bond length is 1.47 Å. In the second C site, C(2,3,4) is bonded in a trigonal planar geometry to one C(17,18,19,20); one C(21,22,23,24); and one C(38) atom. The C(2,3,4)-C(17,18,19,20) bond length is 1.40 Å. The C(2,3,4)-C(21,22,23,24) bond length is 1.40 Å. The C(2,3,4)-C(38) bond length is 1.47 Å. In the third C site, C(5,6,7,8) is bonded in a distorted trigonal planar geometry to one C(13); one C(9,10,11,12); and one H(1,2,3,4) atom. The C(5,6,7,8)-C(13) bond length is 1.40 Å. The C(5,6,7,8)-C(9,10,11,12) bond length is 1.39 Å. The C(5,6,7,8)-H(1,2,3,4) bond length is 1.09 Å. In the fourth C site, C(9,10,11,12) is bonded in a distorted single-bond geometry to one C(5,6,7,8) and one H(5,6,7,8) atom. The C(9,10,11,12)-H(5,6,7,8) bond length is 1.09 Å. In the fifth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(33,35,36); one C(5,6,7,8); and one N(1) atom. The C(13)-C(33,35,36) bond length is 1.42 Å. The C(13)-N(1) bond length is 1.39 Å. In the sixth C site, C(14,15,16) is bonded in a distorted trigonal planar geometry to one C(34); one C(5,6,7,8); and one N(2,3,4) atom. The C(14,15,16)-C(34) bond length is 1.42 Å. The C(14,15,16)-C(5,6,7,8) bond length is 1.40 Å. The C(14,15,16)-N(2,3,4) bond length is 1.39 Å. In the seventh C site, C(17,18,19,20) is bonded in a distorted single-bond geometry to one C(1), one C(41), and one H(9) atom. The C(17,18,19,20)-C(41) bond length is 1.38 Å. The C(17,18,19,20)-H(9) bond length is 1.09 Å. In the eighth C site, C(21,22,23,24) is bonded in a distorted single-bond geometry to one C(1); one C(45); and one H(13,14,15,16) atom. The C(21,22,23,24)-C(45) bond length is 1.38 Å. The C(21,22,23,24)-H(13,14,15,16) bond length is 1.09 Å. In the ninth C site, C(25,26,27,28) is bonded in a distorted single-bond geometry to one C(29,30,31,32) and one H(17,18,19,20) atom. The C(25,26,27,28)-C(29,30,31,32) bond length is 1.39 Å. The C(25,26,27,28)-H(17,18,19,20) bond length is 1.09 Å. In the tenth C site, C(29,30,31,32) is bonded in a distorted trigonal planar geometry to one C(25,26,27,28); one C(33,35,36); and one H(21,22,23,24) atom. The C(29,30,31,32)-C(33,35,36) bond length is 1.40 Å. The C(29,30,31,32)-H(21,22,23,24) bond length is 1.09 Å. In the eleventh C site, C(33,35,36) is bonded in a distorted trigonal planar geometry to one C(13); one C(29,30,31,32); and one N(5,6,7,8) atom. The C(33,35,36)-N(5,6,7,8) bond length is 1.39 Å. In the twelfth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(14,15,16); one C(29,30,31,32); and one N(5,6,7,8) atom. The C(34)-C(29,30,31,32) bond length is 1.40 Å. The C(34)-N(5,6,7,8) bond length is 1.39 Å. In the thirteenth C site, C(37) is bonded in a distorted trigonal planar geometry to one C(1); one N(1); and one N(5,6,7,8) atom. The C(37)-N(1) bond length is 1.36 Å. The C(37)-N(5,6,7,8) bond length is 1.36 Å. In the fourteenth C site, C(38) is bonded in a distorted trigonal planar geometry to one C(2,3,4); one N(2,3,4); and one N(5,6,7,8) atom. The C(38)-N(2,3,4) bond length is 1.36 Å. The C(38)-N(5,6,7,8) bond length is 1.36 Å. In the fifteenth C site, C(39,40) is bonded in a distorted trigonal planar geometry to one C(2,3,4); one N(2,3,4); and one N(5,6,7,8) atom. The C(39,40)-C(2,3,4) bond length is 1.47 Å. The C(39,40)-N(2,3,4) bond length is 1.36 Å. The C(39,40)-N(5,6,7,8) bond length is 1.36 Å. In the sixteenth C site, C(41) is bonded in a distorted trigonal planar geometry to one C(17,18,19,20); one N(9,12); and one H(25,26,27,28) atom. The C(41)-N(9,12) bond length is 1.36 Å. The C(41)-H(25,26,27,28) bond length is 1.08 Å. In the seventeenth C site, C(42,43,44) is bonded in a distorted trigonal planar geometry to one C(17,18,19,20); one N(10); and one H(25,26,27,28) atom. The C(42,43,44)-C(17,18,19,20) bond length is 1.38 Å. The C(42,43,44)-N(10) bond length is 1.36 Å. The C(42,43,44)-H(25,26,27,28) bond length is 1.08 Å. In the eighteenth C site, C(45) is bonded in a distorted trigonal planar geometry to one C(21,22,23,24); one N(9,12); and one H(29,30,31,32) atom. The C(45)-N(9,12) bond length is 1.36 Å. The C(45)-H(29,30,31,32) bond length is 1.09 Å. In the nineteenth C site, C(46,47,48) is bonded in a distorted trigonal planar geometry to one C(21,22,23,24); one N(10); and one H(29,30,31,32) atom. The C(46,47,48)-C(21,22,23,24) bond length is 1.38 Å. The C(46,47,48)-N(10) bond length is 1.36 Å. The C(46,47,48)-H(29,30,31,32) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(13), and one C(37) atom. In the second N site, N(2,3,4) is bonded in a trigonal planar geometry to one Zn(2,3,4); one C(14,15,16); and one C(38) atom. In the third N site, N(5,6,7,8) is bonded in a trigonal planar geometry to one Zn(2,3,4); one C(33,35,36); and one C(37) atom. In the fourth N site, N(9,12) is bonded in a trigonal planar geometry to one C(41), one C(45), and one O(1) atom. The N(9,12)-O(1) bond length is 1.33 Å. In the fifth N site, N(10) is bonded in a trigonal planar geometry to one C(42,43,44); one C(46,47,48); and one O(2,4) atom. The N(10)-O(2,4) bond length is 1.33 Å. In the sixth N site, N(11) is bonded in a trigonal planar geometry to one C(42,43,44); one C(46,47,48); and one O(3) atom. The N(11)-C(42,43,44) bond length is 1.36 Å. The N(11)-C(46,47,48) bond length is 1.36 Å. The N(11)-O(3) bond length is 1.33 Å. There are nine inequivalent H sites. In the first H site, H(1,2,3,4) is bonded in a single-bond geometry to one C(5,6,7,8) atom. In the second H site, H(5,6,7,8) is bonded in a single-bond geometry to one C(9,10,11,12) atom. In the third H site, H(9) is bonded in a single-bond geometry to one C(17,18,19,20) atom. In the fourth H site, H(10,11,12) is bonded in a single-bond geometry to one C(17,18,19,20) atom. The H(10,11,12)-C(17,18,19,20) bond length is 1.09 Å. In the fifth H site, H(13,14,15,16) is bonded in a single-bond geometry to one C(21,22,23,24) atom. In the sixth H site, H(17,18,19,20) is bonded in a single-bond geometry to one C(25,26,27,28) atom. In the seventh H site, H(21,22,23,24) is bonded in a single-bond geometry to one C(29,30,31,32) atom. In the eighth H site, H(25,26,27,28) is bonded in a single-bond geometry to one C(41) atom. In the ninth H site, H(29,30,31,32) is bonded in a single-bond geometry to one C(45) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2,3,4) and one N(9,12) atom. The O(1)-Zn(2,3,4) bond length is 2.03 Å. In the second O site, O(2,4) is bonded in a bent 120 degrees geometry to one Zn(2,3,4) and one N(10) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one N(11) atom. Cl(1,2,3,4) is bonded in a single-bond geometry to one Zn(1) atom. Linkers: 4 [O-][n+]1ccc(C2=Nc3ccccc3[N]2)cc1. Metal clusters: 4 [O][Zn]Cl. The MOF has largest included sphere 3.03 A, density 1.79 g/cm3, surface area 3953.45 m2/g, accessible volume 0.12 cm3/g