ZnC25NH13O4Br crystallizes in the monoclinic Pm space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square pyramidal geometry to one N(1,2); two equivalent O(1,3); and two equivalent O(2,4) atoms. The Zn(1)-N(1,2) bond length is 1.90 Å. Both Zn(1)-O(1,3) bond lengths are 2.03 Å. Both Zn(1)-O(2,4) bond lengths are 2.05 Å. In the second Zn site, Zn(2) is bonded in a square pyramidal geometry to one N(1,2); two equivalent O(1,3); and two equivalent O(2,4) atoms. The Zn(2)-N(1,2) bond length is 1.90 Å. Both Zn(2)-O(1,3) bond lengths are 2.03 Å. Both Zn(2)-O(2,4) bond lengths are 2.05 Å. There are twenty-five inequivalent C sites. In the first C site, C(1,9) is bonded in a distorted bent 120 degrees geometry to one C(2); one O(1,3); and one O(2,4) atom. The C(1,9)-C(2) bond length is 1.55 Å. The C(1,9)-O(1,3) bond length is 1.22 Å. The C(1,9)-O(2,4) bond length is 1.22 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1,9); one C(3,11); and one C(7,15) atom. The C(2)-C(3,11) bond length is 1.36 Å. The C(2)-C(7,15) bond length is 1.40 Å. In the third C site, C(3,11) is bonded in a distorted trigonal planar geometry to one C(2); one C(4,12); and one H(1,5) atom. The C(3,11)-C(4,12) bond length is 1.38 Å. The C(3,11)-H(1,5) bond length is 1.14 Å. In the fourth C site, C(4,12) is bonded in a distorted trigonal planar geometry to one C(3,11); one C(5,13); and one H(2,6) atom. The C(4,12)-C(5,13) bond length is 1.39 Å. The C(4,12)-H(2,6) bond length is 1.14 Å. In the fifth C site, C(5,13) is bonded in a trigonal planar geometry to one C(4,12); one C(6); and one C(8,16) atom. The C(5,13)-C(6) bond length is 1.37 Å. The C(5,13)-C(8,16) bond length is 1.50 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5,13); one C(7,15); and one H(3,7) atom. The C(6)-C(7,15) bond length is 1.34 Å. The C(6)-H(3,7) bond length is 1.14 Å. In the seventh C site, C(7,15) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(4) atom. The C(7,15)-H(4) bond length is 1.14 Å. In the eighth C site, C(8,16) is bonded in a trigonal planar geometry to one C(17,18); one C(5,13); and one C(8,16) atom. The C(8,16)-C(17,18) bond length is 1.41 Å. The C(8,16)-C(8,16) bond length is 1.35 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(1,9); one C(3,11); and one C(7,15) atom. The C(10)-C(1,9) bond length is 1.55 Å. The C(10)-C(3,11) bond length is 1.36 Å. The C(10)-C(7,15) bond length is 1.40 Å. In the tenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(5,13); one C(7,15); and one H(3,7) atom. The C(14)-C(5,13) bond length is 1.37 Å. The C(14)-C(7,15) bond length is 1.34 Å. The C(14)-H(3,7) bond length is 1.14 Å. In the eleventh C site, C(17,18) is bonded in a trigonal planar geometry to two equivalent C(8,16) and one Br(1,2) atom. The C(17,18)-Br(1,2) bond length is 1.90 Å. In the twelfth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(20); one N(1,2); and one H(9,13) atom. The C(19)-C(20) bond length is 1.42 Å. The C(19)-N(1,2) bond length is 1.42 Å. The C(19)-H(9,13) bond length is 1.14 Å. In the thirteenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one C(21), and one H(10) atom. The C(20)-C(21) bond length is 1.38 Å. The C(20)-H(10) bond length is 1.14 Å. In the fourteenth C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(24) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(24) bond length is 1.40 Å. In the fifteenth C site, C(22) is bonded in a trigonal planar geometry to one C(21); one C(23); and one C(25,33) atom. The C(22)-C(23) bond length is 1.41 Å. The C(22)-C(25,33) bond length is 1.40 Å. In the sixteenth C site, C(23) is bonded in a distorted water-like geometry to one C(22); one N(1,2); and one H(11,15) atom. The C(23)-N(1,2) bond length is 1.37 Å. The C(23)-H(11,15) bond length is 1.14 Å. In the seventeenth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(21), one C(32), and one H(12) atom. The C(24)-C(32) bond length is 1.67 Å. The C(24)-H(12) bond length is 1.14 Å. In the eighteenth C site, C(25,33) is bonded in a linear geometry to one C(22) and one C(26,34) atom. The C(25,33)-C(26,34) bond length is 1.21 Å. In the nineteenth C site, C(26,34) is bonded in a linear geometry to one C(25,33) and one H(17,18) atom. The C(26,34)-H(17,18) bond length is 1.14 Å. In the twentieth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(28); one N(1,2); and one H(9,13) atom. The C(27)-C(28) bond length is 1.42 Å. The C(27)-N(1,2) bond length is 1.42 Å. The C(27)-H(9,13) bond length is 1.14 Å. In the twenty-first C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one H(14) atom. The C(28)-C(29) bond length is 1.38 Å. The C(28)-H(14) bond length is 1.14 Å. In the twenty-second C site, C(29) is bonded in a trigonal planar geometry to one C(28), one C(30), and one C(32) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-C(32) bond length is 1.40 Å. In the twenty-third C site, C(30) is bonded in a trigonal planar geometry to one C(25,33); one C(29); and one C(31) atom. The C(30)-C(25,33) bond length is 1.40 Å. The C(30)-C(31) bond length is 1.41 Å. In the twenty-fourth C site, C(31) is bonded in a distorted water-like geometry to one C(30); one N(1,2); and one H(11,15) atom. The C(31)-N(1,2) bond length is 1.37 Å. The C(31)-H(11,15) bond length is 1.14 Å. In the twenty-fifth C site, C(32) is bonded in a distorted trigonal planar geometry to one C(24), one C(29), and one H(16) atom. The C(32)-H(16) bond length is 1.14 Å. N(1,2) is bonded in a trigonal planar geometry to one Zn(1), one C(19), and one C(23) atom. There are twelve inequivalent H sites. In the first H site, H(1,5) is bonded in a single-bond geometry to one C(3,11) atom. In the second H site, H(2,6) is bonded in a single-bond geometry to one C(4,12) atom. In the third H site, H(3,7) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7,15) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(7,15) atom. The H(8)-C(7,15) bond length is 1.14 Å. In the sixth H site, H(9,13) is bonded in a single-bond geometry to one C(19) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(20) atom. In the eighth H site, H(11,15) is bonded in a single-bond geometry to one C(23) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(24) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(28) atom. In the eleventh H site, H(16) is bonded in a single-bond geometry to one C(32) atom. In the twelfth H site, H(17,18) is bonded in a distorted linear geometry to one C(26,34) and one H(17,18) atom. The H(17,18)-H(17,18) bond length is 0.51 Å. There are two inequivalent O sites. In the first O site, O(1,3) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1,9) atom. In the second O site, O(2,4) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(1,9) atom. Br(1,2) is bonded in a single-bond geometry to one C(17,18) atom. Linkers: 8 C#Cc1cnccc1/C=C/c1ccncc1C#C ,8 [O]C(=O)c1ccc(-c2c(Br)c(-c3ccc(C([O])=O)cc3)c(-c3ccc(C([O])=O)cc3)c(Br)c2-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 8 [C]1O[Zn]23O[C]O[Zn](O1)(O[C]O2)O[C]O3. The MOF has largest included sphere 11.81 A, density 0.63 g/cm3, surface area 4208.73 m2/g, accessible volume 1.10 cm3/g