K3B12H4Br(H2)4 crystallizes in the monoclinic C2/m space group. The structure consists of eight 1333-74-0 molecules inside a K3B12H4Br framework. In the K3B12H4Br framework, there are two inequivalent K sites. In the first K site, K(1) is bonded in a square co-planar geometry to two equivalent B(2) and two equivalent B(3) atoms. In the second K site, K(2) is bonded in a linear geometry to two equivalent B(1) and two equivalent H(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one K(2), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one K(1), one B(1), one B(2), one B(4), two equivalent B(3), and one H(1) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one K(1), one B(1), one B(3), one B(4), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(2), two equivalent B(3), and one H(4) atom. There are two inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one B(4) and one Br(1) atom. In the second H site, H(1) is bonded in a distorted trigonal planar geometry to one K(2) and two equivalent B(2) atoms. Br(1) is bonded in a distorted linear geometry to two equivalent H(4) atoms.
K3B12H4Br(H2)4 crystallizes in the monoclinic C2/m space group. The structure consists of eight 1333-74-0 molecules inside a K3B12H4Br framework. In the K3B12H4Br framework, there are two inequivalent K sites. In the first K site, K(1) is bonded in a square co-planar geometry to two equivalent B(2) and two equivalent B(3) atoms. Both K(1)-B(2) bond lengths are 3.12 Å. Both K(1)-B(3) bond lengths are 3.11 Å. In the second K site, K(2) is bonded in a linear geometry to two equivalent B(1) and two equivalent H(1) atoms. Both K(2)-B(1) bond lengths are 3.33 Å. Both K(2)-H(1) bond lengths are 2.43 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one K(2), one B(4), two equivalent B(2), and two equivalent B(3) atoms. The B(1)-B(4) bond length is 1.68 Å. Both B(1)-B(2) bond lengths are 1.76 Å. Both B(1)-B(3) bond lengths are 1.72 Å. In the second B site, B(2) is bonded in a 7-coordinate geometry to one K(1), one B(1), one B(2), one B(4), two equivalent B(3), and one H(1) atom. The B(2)-B(2) bond length is 1.68 Å. The B(2)-B(4) bond length is 1.82 Å. There is one shorter (1.76 Å) and one longer (1.79 Å) B(2)-B(3) bond length. The B(2)-H(1) bond length is 1.50 Å. In the third B site, B(3) is bonded in a 6-coordinate geometry to one K(1), one B(1), one B(3), one B(4), and two equivalent B(2) atoms. The B(3)-B(3) bond length is 1.75 Å. The B(3)-B(4) bond length is 1.78 Å. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(2), two equivalent B(3), and one H(4) atom. The B(4)-H(4) bond length is 1.22 Å. There are two inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one B(4) and one Br(1) atom. The H(4)-Br(1) bond length is 2.28 Å. In the second H site, H(1) is bonded in a distorted trigonal planar geometry to one K(2) and two equivalent B(2) atoms. Br(1) is bonded in a distorted linear geometry to two equivalent H(4) atoms.