CdBC8N3H12O4 crystallizes in the hexagonal P6_122 space group. Cd(1) is bonded to one N(1), two equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms to form distorted CdN3O4 pentagonal bipyramids that share corners with two equivalent C(4)H3O tetrahedra, corners with two equivalent C(5)H3O tetrahedra, and edges with two equivalent B(1)O4 tetrahedra. The Cd(1)-N(1) bond length is 2.37 Å. Both Cd(1)-N(2) bond lengths are 2.39 Å. Both Cd(1)-O(1) bond lengths are 2.39 Å. Both Cd(1)-O(2) bond lengths are 2.33 Å. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent C(4)H3O tetrahedra, corners with two equivalent C(5)H3O tetrahedra, and edges with two equivalent Cd(1)N3O4 pentagonal bipyramids. Both B(1)-O(1) bond lengths are 1.47 Å. Both B(1)-O(2) bond lengths are 1.47 Å. There are five inequivalent C sites. In the first C site, C(3) is bonded in a distorted linear geometry to one C(1) and one N(2) atom. The C(3)-C(1) bond length is 1.40 Å. The C(3)-N(2) bond length is 1.17 Å. In the second C site, C(4) is bonded to one H(1), one H(2), one H(3), and one O(1) atom to form CH3O tetrahedra that share  a cornercorner with one Cd(1)N3O4 pentagonal bipyramid and  a cornercorner with one B(1)O4 tetrahedra. The C(4)-H(1) bond length is 1.10 Å. The C(4)-H(2) bond length is 1.10 Å. The C(4)-H(3) bond length is 1.10 Å. The C(4)-O(1) bond length is 1.42 Å. In the third C site, C(5) is bonded to one H(4), one H(5), one H(6), and one O(2) atom to form CH3O tetrahedra that share  a cornercorner with one Cd(1)N3O4 pentagonal bipyramid and  a cornercorner with one B(1)O4 tetrahedra. The C(5)-H(4) bond length is 1.10 Å. The C(5)-H(5) bond length is 1.10 Å. The C(5)-H(6) bond length is 1.10 Å. The C(5)-O(2) bond length is 1.42 Å. In the fourth C site, C(1) is bonded in a trigonal planar geometry to one C(2) and two equivalent C(3) atoms. The C(1)-C(2) bond length is 1.40 Å. In the fifth C site, C(2) is bonded in a distorted linear geometry to one C(1) and one N(1) atom. The C(2)-N(1) bond length is 1.17 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cd(1) and one C(2) atom. In the second N site, N(2) is bonded in a distorted linear geometry to one Cd(1) and one C(3) atom. There are six inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1), one B(1), and one C(5) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1), one B(1), and one C(4) atom. Linkers: 6 CO[B](OC)(OC)OC ,6 N#C[C](C#N)C#N. Metal clusters: 6 [Cd]. The MOF has largest included sphere 4.65 A, density 1.29 g/cm3, surface area 4672.97 m2/g, accessible volume 0.39 cm3/g