@article { ISI:000392824100001,
	title = {Crystal structure of bis(triphenylphosphonium) hexabromodigallate(II) in the correct space group: Conformational complexity in a heteroethane},
	journal = {COGENT CHEMISTRY},
	volume = {2},
	year = {2016},
	pages = {1273065/1-1273065/12},
	abstract = {The crystal structure of [Ph3PH](2)[Ga2Br6], previously described as having a disordered anion in the space group R (3) over bar, has been re-determined in the correct space group P (3) over bar, where it is fully ordered. Interestingly, two-thirds of the [Ga2Br6](2-) dianions have an intermediate conformation with a Br-Ga-Ga-Br torsion angle of 36.91 (1)degrees, while the remaining is staggered as required from adopting a site with inversion symmetry. In the lattice, [Ph3PH](+) ions lie along the same threefold axes as the dianions and are oriented such that the P-H bond is directed towards a gallium atom. The phosphonium ions lie back-to-back and interact with relatively strong T-interactions between phenyl rings on adjacent cations. DFT calculations at the B3LYP/6-311+ G(fd,) level have been used to determine the barriers to rotation in [Ga2X6](2-) ions. For X = Cl and X = Br, the barriers are found to be very small, with values of 4.3 and 5.1 kJ mol(-1) for the two halogens.},
	issn = {2331-2009},
	doi = {10.1080/23312009.2016.1273065},
	url = {dx.doi.org/10.1080/23312009.2016.1273065},
	author = {Marasco, Olivia N. J. M. and Wolny, Sydney K. and Knott, Jackson P. and Daniel Stuart and Roemmele, Tracey L. and Boer{\'e}, R. T.}
}
