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PdCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four PdCl6 clusters. In each PdCl6 cluster, Pd4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.32 Å. Cl1- is bonded in a single-bond geometry to one Pd4+ atom.
(NH4)2PdCl6 is Fluorite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonium molecules and two PdCl6 clusters. In each PdCl6 cluster, Pd4+ is bonded in an octahedral geometry to six Cl1- atoms. All Pd–Cl bond lengths are 2.36 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd4+ atom.