Record link: 
http://hdl.handle.net/20.500.12708/136868
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Title: 
Try Another Crystal: Crystal-Dependent Disorder of Pentaphosphaferrocene within the Same Crystallization
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Citation: 
Peresypkina, E., Stöger, B., Dinauer, S. B., & Virovets, A. V. (2022). Try Another Crystal: Crystal-Dependent Disorder of Pentaphosphaferrocene within the Same Crystallization. Crystal Growth and Design, 22(6), 3870–3874. https://doi.org/10.1021/acs.cgd.2c00252
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Publisher DOI: 
10.1021/acs.cgd.2c00252
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Publication Type: 
Article - Original Research Article
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Language: 
English
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Authors: 
Peresypkina, Eugenia 
Stöger, Berthold 
Dinauer, Sabrina B. 
Virovets, Alexander V. 
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Organisational Unit: 
E057-04 - Fachbereich Röntgenzentrum 
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Journal: 
Crystal Growth and Design 
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ISSN: 
1528-7483
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Date (published): 
2022
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Number of Pages: 
5
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Publisher: 
AMER CHEMICAL SOC
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Peer reviewed: 
Yes
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Keywords: 
Condensed Matter Physics; General Materials Science; layers; General Chemistry; crystal structure; crystals; defects in solids; disorder
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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).
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Research Areas: 
Materials Characterization: 100%
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Science Branch: 
Chemie
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