CH(CH3)2ZnC8H8Br(NO)2 crystallizes in the hexagonal P6_1 space group. The structure consists of six 02329_fluka molecules and twelve 02329_fluka molecules inside a ZnC8H8Br(NO)2 framework. In the ZnC8H8Br(NO)2 framework, Zn(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(2), one O(1), one O(2), and one Br(1) atom. The Zn(1)-N(1) bond length is 2.11 Å. The Zn(1)-N(2) bond length is 2.07 Å. The Zn(1)-O(1) bond length is 2.21 Å. The Zn(1)-O(2) bond length is 2.16 Å. The Zn(1)-Br(1) bond length is 2.37 Å. There are eight inequivalent C sites. In the first C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(11) atom. The C(7)-N(2) bond length is 1.35 Å. The C(7)-H(11) bond length is 1.09 Å. In the second C site, C(8) is bonded in a distorted trigonal planar geometry to one C(6), one C(9), and one H(12) atom. The C(8)-C(6) bond length is 1.39 Å. The C(8)-C(9) bond length is 1.40 Å. The C(8)-H(12) bond length is 1.09 Å. In the third C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(11) bond length is 1.51 Å. In the fourth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(13) atom. The C(10)-H(13) bond length is 1.09 Å. In the fifth C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to one C(9), one N(1), one H(14), and one H(15) atom. The C(11)-N(1) bond length is 1.49 Å. The C(11)-H(14) bond length is 1.10 Å. The C(11)-H(15) bond length is 1.10 Å. In the sixth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.26 Å. In the seventh C site, C(2) is bonded in a 2-coordinate geometry to one N(1) and one H(2) atom. The C(2)-N(1) bond length is 1.48 Å. The C(2)-H(2) bond length is 1.10 Å. In the eighth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one H(10) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(10) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted tetrahedral geometry to one Zn(1), one C(11), one C(2), and one H(1) atom. The N(1)-H(1) bond length is 1.03 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(6), and one C(7) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(10) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(11) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(13) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(14) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(15) is bonded in a single-bond geometry to one C(11) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Zn(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(1) atom. Br(1) is bonded in a single-bond geometry to one Zn(1) atom. Linkers: 6 CC(C)[C@H](NCc1ccncc1)C([O])=O. Metal clusters: 6 [Zn]. The MOF has largest included sphere 10.02 A, density 1.23 g/cm3, surface area 4088.57 m2/g, accessible volume 0.41 cm3/g