Interatomic interactions in the crystal of (C4H11N2)2(C4H12N2)[Mo(CN)8]: comparison of two approaches

Two approaches to the crystal packing analysis, namely the topological analysis of the electron density distribution function in terms of the quantum theory Atoms in Molecules and the stereoatomic model, were compared as applied to the crystal structure of (C₄H₁₁N₂)₂(C₄H₁₂N₂)Mo(CN)₈]. The data obtained by analyzing the quasi-static electron density distribution function provide an estimate of the scope of applicability and the accuracy of the stereoatomic model for the evaluation of the volume of the complex-forming atom and the determination of a system of intermolecular interactions.