B5H9BH is Cubic alpha N2-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four hydridoboron(2.) (singlet) molecules and four B5H9 clusters. In each B5H9 cluster, there are three inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal non-coplanar geometry to one H(3) and two equivalent H(2) atoms. In the second B site, B(2) is bonded in a distorted trigonal non-coplanar geometry to one H(1), one H(2), and one H(4) atom. In the third B site, B(3) is bonded in a distorted water-like geometry to one H(1) and one H(6) atom. There are five inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to one B(2) atom. In the third H site, H(6) is bonded in a single-bond geometry to one B(3) atom. In the fourth H site, H(1) is bonded in an L-shaped geometry to one B(2) and one B(3) atom. In the fifth H site, H(2) is bonded in an L-shaped geometry to one B(1) and one B(2) atom.
B5H9BH is Cubic alpha N2-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four hydridoboron(2.) (singlet) molecules and four B5H9 clusters. In each B5H9 cluster, there are three inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal non-coplanar geometry to one H(3) and two equivalent H(2) atoms. The B(1)-H(3) bond length is 1.18 Å. Both B(1)-H(2) bond lengths are 1.31 Å. In the second B site, B(2) is bonded in a distorted trigonal non-coplanar geometry to one H(1), one H(2), and one H(4) atom. The B(2)-H(1) bond length is 1.34 Å. The B(2)-H(2) bond length is 1.37 Å. The B(2)-H(4) bond length is 1.18 Å. In the third B site, B(3) is bonded in a distorted water-like geometry to one H(1) and one H(6) atom. The B(3)-H(1) bond length is 1.33 Å. The B(3)-H(6) bond length is 1.19 Å. There are five inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to one B(2) atom. In the third H site, H(6) is bonded in a single-bond geometry to one B(3) atom. In the fourth H site, H(1) is bonded in an L-shaped geometry to one B(2) and one B(3) atom. In the fifth H site, H(2) is bonded in an L-shaped geometry to one B(1) and one B(2) atom.