Structural studies of precursor and partially oxidized conducting complexes. XI. A neutron diffraction study of barium dibromotetracyanoplatinate(IV) hydrate

Abstract

Ba[Pt(CN)₄Br₂].4.5H₂O, tetragonal, P4/ mnc (D_4h⁶,), a = 9.425 (3), c = 17.085 (6) A, Z = 4, D_m = 2.96, D_c = 2.96 g cm^-3. The structure was determined by direct methods. 2842 reflections were collected with single-crystal neutron-diffraction techniques and yielded 1217 independent reflections upon averaging; these were refined to an agreement factor of R(Fo2)=0.056 for all observed data and R(F_O²)= 0.053 for 999 data with F_O² > lσ (F_O²). The structure consists of octahedrally coordinated Pt^IV metal atoms, one Ba²⁺ ion, and two H₂O molecules (one O and five H atoms are in crystallographic disorder). The Ba²⁺ ion is highly coordinated with nine nearest neighbors.