Materials Data on BNCl2 by Materials Project
BNCl2 is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three 1,2,3,4,5,6-hexachloro-1,3,5,2,4,6-triazatriborinane molecules. B3+ is bonded in a trigonal planar geometry to two equivalent N1- and one Cl1- atom. Both B–N bond lengths are 1.45 Å. The B–Cl bond length is 1.75 Å. N1- is bonded in a distorted trigonal planar geometry to two equivalent B3+ and one Cl1- atom. The N–Cl bond length is 1.71 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one B3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N1- atom.
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