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 (D4h6,), a = 9.425 (3), c = 17.085 (6) A, Z = 4, Dm = 2.96, Dc = 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(FO2)= 0.053 for 999 data with FO2 > lσ (FO2). The structure consists of octahedrally coordinated PtIV 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.