Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. The outer sphere bromine anion atoms were all found to be disordered over multiple sites. Br4/4A was found to occupy two sites close to each other and was refined with occupancies summed to unity yielding an approximate 0.83:0.17 ratio. Br5/5A was modeled as two half occupancy bromine atoms from an initial, independent, refinement of the occupancies for these sites. Br6 is disordered over multiple sites. Occupancies of the sites were refined summed to unity yielding an approximately 0.14:0.17:0.17:0.20:0.11:0.12:0.09 ratio of site occupancies. Attempts to model this disorder as undifferentiated solvent did not meet with success. Furthermore, because the electron density associated with this is located within the enveloped developed by SQUEEZE, this routine could not be employed. The result is that there is some additional residual electron density that cannot be reliably accounted for. Presumably there is solvent of crystallization present at the sites when they are not occupied by anions. This was not modeled.