Journal Article

PUBDB-2026-00633

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png The complex stacking disorder of Fe- and Ru-based 1,1′-(3,6-pyrazabolyl)metallocenes

Stoeger, B. (Corresponding author)Extern* ; Virovets, A.Extern* ; Wenisch, M.Extern*

2026
Wiley-Blackwell Oxford [u.a.]

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Please use a persistent id in citations: doi:10.1107/S2052520625009758  doi:10.3204/PUBDB-2026-00633

Abstract: 1,10-(3,6-Pyrazabolyl)ferrocene [Fc(BHpz)2] and the corresponding ruthenocene [Rc(BHpz)2] crystallize as order–disorder (OD) structures with layers of Pma(m) symmetry. Since the m[100] reflection and the a[010] glide reflection planes of adjacent layers do not overlap, given one layer, the adjacent layer can be placed in four distinct, but geometrically equivalent, positions. There are accordingly four polytypes of a maximum degree of order (MDO). One analyzed Fc(BHpz)2 crystal was composed of a mixture of the MDO1 polytype in four distinct orientations and the MDO3 polytype. A second crystal was essentially a single crystal of one out of two orientation of MDO3. In two analyzed crystals of Rc(BHpz)2, the MDO1 polytype (P-1) was the major polytype and was observed in four or two orientation states, respectively. Pronounced diffuse scattering is attributed to a complex disorder, which cannot be explained by simple growth models. One Rc(BHpz)2 crystal features additional peaks in the diffraction pattern attributed to fragments of MDO3.

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Contributing Institute(s):

1. FS DOOR-User (FS DOOR-User)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
2. FS-Proposal: I-20230286 (I-20230286) (I-20230286)

Experiment(s):

1. PETRA Beamline P24 (PETRA III)

Appears in the scientific report 2026

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; Nationallizenz ; PubMed Central ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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