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E. Peresypkina, B. Stöger, S. Dinauer, A. Virovets:
"Try Another Crystal: Crystal-Dependent Disorder of Pentaphosphaferrocene within the Same Crystallization";
Crystal Growth & Design, 22 (2022), S. 3870 - 3874.

The degree of disorder of [Cp″Fe(η⁵-P₅)] [Cp″ = η⁵-1,3-(tBu)₂C₅H₃] molecules with respect to their mirrored positions in the orthorhombic Pca21 space group varies from ∼1 to 24% depending on the single crystal chosen from the same sample for the X-ray structural determination. This unusual behavior is caused by stacking faults in adjacent layers parallel to the (001) direction giving rise to two polytypes. A comprehensive search in the Cambridge Structural Database revealed only a few similar examples of the crystal-dependent disorder caused by stacking faults. Moreover, crystals of [Cp″Fe(η⁵-P₅)] possessing a low amount of stacking faults demonstrate slight temperature-induced superstructural ordering (modulation) between 20 and 80 K, accompanied by a doubling of the b parameter (b′ -> 2 × b).

crystal structure; crystals; defects in solids; disorder; layers

http://dx.doi.org/10.1021/acs.cgd.2c00252