Two structures, [Cu15H2(S2CN
n
Bu2)6(CCPh)6][CuCl2] (1) and [AgH2Cu14{S2P(O
i
Pr)2}6(CCPh)6][PF6] (2), are characterized by X-ray crystallography with high-quality single
crystals. The position of interstitial hydrides can be accurately
located. In addition, the refinement of the hydrides with anisotropic
displacement parameters (ADPs) was successful. The distances between
the central atom and copper atoms, as well as the distances within
the metal cages surrounding the hydrides, are analyzed and compared
with similar MH2@Cu14 (M = Cu, Ag, Pd) compounds.
This work provides a thoughtful and accurate assessment of the considerations
and challenges associated with anisotropic refinement for H atoms,
particularly in X-ray data collection.