Title: Try Another Crystal: Crystal-Dependent Disorder of Pentaphosphaferrocene within the Same Crystallization
Abstract: 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).
Publication Year: 2022
Publication Date: 2022-04-29
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 2
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