Cd3C12H32Br6(N2O)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent N(2), two equivalent O(2), and two equivalent Br(1) atoms to form CdBr2N2O2 octahedra that share corners with two equivalent C(3)H2N2 tetrahedra, corners with two equivalent C(5)H2N2 tetrahedra, and corners with two equivalent C(6)H2N2 tetrahedra. Both Cd(1)-N(2) bond lengths are 2.54 Å. Both Cd(1)-O(2) bond lengths are 2.42 Å. Both Cd(1)-Br(1) bond lengths are 2.65 Å. In the second Cd site, Cd(2) is bonded to one N(1), one O(1), two equivalent Br(2), and two equivalent Br(3) atoms to form CdBr4NO octahedra that share  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra, and edges with two equivalent Cd(2)Br4NO octahedra. The Cd(2)-N(1) bond length is 2.43 Å. The Cd(2)-O(1) bond length is 2.56 Å. There is one shorter (2.78 Å) and one longer (2.79 Å) Cd(2)-Br(2) bond length. There is one shorter (2.77 Å) and one longer (2.82 Å) Cd(2)-Br(3) bond length. There are six inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one N(3), one H(1), and one H(2) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(2)Br4NO octahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(4)H2N2 tetrahedra, and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. The C(1)-N(1) bond length is 1.49 Å. The C(1)-N(3) bond length is 1.48 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. In the second C site, C(2) is bonded to one N(1), one N(4), one H(3), and one H(4) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(2)Br4NO octahedra,  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(4)H2N2 tetrahedra, and  a cornercorner with one C(5)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. The C(2)-N(1) bond length is 1.49 Å. The C(2)-N(4) bond length is 1.47 Å. The C(2)-H(3) bond length is 1.10 Å. The C(2)-H(4) bond length is 1.10 Å. In the third C site, C(3) is bonded to one N(1), one N(2), one H(5), and one H(6) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(1)Br2N2O2 octahedra,  a cornercorner with one Cd(2)Br4NO octahedra,  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles range from 74-79°. The C(3)-N(1) bond length is 1.48 Å. The C(3)-N(2) bond length is 1.47 Å. The C(3)-H(5) bond length is 1.10 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded to one N(3), one N(4), one H(7), and one H(8) atom to form corner-sharing CH2N2 tetrahedra. The C(4)-N(3) bond length is 1.49 Å. The C(4)-N(4) bond length is 1.47 Å. The C(4)-H(7) bond length is 1.10 Å. The C(4)-H(8) bond length is 1.10 Å. In the fifth C site, C(5) is bonded to one N(2), one N(4), one H(10), and one H(9) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(1)Br2N2O2 octahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(4)H2N2 tetrahedra, and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. The C(5)-N(2) bond length is 1.48 Å. The C(5)-N(4) bond length is 1.47 Å. The C(5)-H(10) bond length is 1.10 Å. The C(5)-H(9) bond length is 1.10 Å. In the sixth C site, C(6) is bonded to one N(2), one N(3), one H(11), and one H(12) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(1)Br2N2O2 octahedra,  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(4)H2N2 tetrahedra, and  a cornercorner with one C(5)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. The C(6)-N(2) bond length is 1.47 Å. The C(6)-N(3) bond length is 1.49 Å. The C(6)-H(11) bond length is 1.10 Å. The C(6)-H(12) bond length is 1.10 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Cd(2), one C(1), one C(2), and one C(3) atom to form distorted NCdC3 tetrahedra that share  a cornercorner with one N(2)CdC3 tetrahedra and  a cornercorner with one N(3)HC3 tetrahedra. In the second N site, N(2) is bonded to one Cd(1), one C(3), one C(5), and one C(6) atom to form distorted NCdC3 tetrahedra that share  a cornercorner with one N(1)CdC3 tetrahedra,  a cornercorner with one N(2)CdC3 tetrahedra, and  a cornercorner with one N(3)HC3 tetrahedra. In the third N site, N(3) is bonded to one C(1), one C(4), one C(6), and one H(13) atom to form corner-sharing NHC3 tetrahedra. The N(3)-H(13) bond length is 1.65 Å. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one C(4), and one C(5) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(6) atom. In the thirteenth H site, H(13) is bonded in a distorted linear geometry to one N(3) and one O(1) atom. The H(13)-O(1) bond length is 1.03 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(1) atom. The H(14)-O(1) bond length is 0.98 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(2) atom. The H(15)-O(2) bond length is 0.98 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(2) atom. The H(16)-O(2) bond length is 1.01 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cd(2), one H(13), and one H(14) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cd(1), one H(15), and one H(16) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Cd(1) atom. In the second Br site, Br(2) is bonded in an L-shaped geometry to two equivalent Cd(2) atoms. In the third Br site, Br(3) is bonded in an L-shaped geometry to two equivalent Cd(2) atoms. Linkers: 2 C1N2CN3CN1CN(C2)C3. Metal clusters: 1 Br[Cd]Br.O.O ,2 [Cd]. The MOF has largest included sphere 2.51 A, density 2.74 g/cm3, surface area 2656.01 m2/g, accessible volume 0.08 cm3/g