ZnC22NH12O4Br crystallizes in the orthorhombic Pmmm space group. Zn(1) is bonded in a square pyramidal geometry to one N(1) and four equivalent O(1) atoms. The Zn(1)-N(1) bond length is 2.06 Å. All Zn(1)-O(1) bond lengths are 2.06 Å. There are ten inequivalent C sites. In the first C site, C(3) is bonded in a trigonal planar geometry to one C(2) and two equivalent C(4) atoms. The C(3)-C(2) bond length is 1.49 Å. Both C(3)-C(4) bond lengths are 1.40 Å. In the second C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(4) atom. The C(9)-C(10) bond length is 1.41 Å. The C(9)-C(8) bond length is 1.39 Å. The C(9)-H(4) bond length is 1.09 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(1) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(1) bond length is 1.09 Å. In the fourth C site, C(10) is bonded in a trigonal planar geometry to one C(10) and two equivalent C(9) atoms. The C(10)-C(10) bond length is 1.48 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(2) bond length is 1.09 Å. In the sixth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(1), and one H(3) atom. The C(8)-N(1) bond length is 1.34 Å. The C(8)-H(3) bond length is 1.09 Å. In the seventh C site, C(6) is bonded in a trigonal planar geometry to one C(7) and two equivalent C(5) atoms. The C(6)-C(7) bond length is 1.50 Å. In the eighth C site, C(7) is bonded in a bent 120 degrees geometry to one C(6) and two equivalent O(1) atoms. Both C(7)-O(1) bond lengths are 1.28 Å. In the ninth C site, C(1) is bonded in a trigonal planar geometry to two equivalent C(2) and one Br(1) atom. Both C(1)-C(2) bond lengths are 1.40 Å. The C(1)-Br(1) bond length is 1.91 Å. In the tenth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(3) atom. The C(2)-C(2) bond length is 1.41 Å. N(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent C(8) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(7) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. Linkers: 1 [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 ,1 c1cc(-c2ccncc2)ccn1. Metal clusters: 1 [C]1O[Zn]234O[C]O[Zn]2(O1)(O[C]O3)O[C]O4. RCSR code: sql. The MOF has largest included sphere 11.13 A, density 0.66 g/cm3, surface area 4254.34 m2/g, accessible volume 1.17 cm3/g