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Updated: Jan 9, 2026
10:51
The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
Published on: April 10, 2015
12.6K
The complex stacking disorder of Fe- and Ru-based 1,1'-(3,6-pyrazabolyl)metallocenes.
Berthold Stöger1, Alexandr Virovets2, Mischa Wenisch2
1X-Ray Centre, TU Wien, Getreidemarkt 9, 1060 Vienna, Austria.
Summary
Ferrocene and ruthenocene derivatives exhibit complex order-disorder structures. Multiple polytypes and orientations were identified, indicating intricate crystal growth beyond simple models.
Area of Science:
- Organometallic Chemistry
- Crystallography
- Materials Science
Background:
- Ferrocene [Fc(BHpz)2] and ruthenocene [Rc(BHpz)2] are organometallic compounds with potential for diverse structural arrangements.
- Understanding crystal structures, particularly order-disorder (OD) phenomena, is crucial for predicting material properties and synthesis pathways.
Purpose of the Study:
- To investigate the crystallographic structures of 1,1'-(3,6-Pyrazabolyl)ferrocene [Fc(BHpz)2] and its ruthenocene analogue [Rc(BHpz)2].
- To characterize the order-disorder (OD) phenomena and identify the maximum degree of order (MDO) polytypes present in these compounds.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the crystal structures.
- Analysis of diffraction patterns, including diffuse scattering and additional peaks, was used to identify polytypes and disorder.
Main Results:
- Both Fc(BHpz)2 and Rc(BHpz)2 crystallize as order-disorder (OD) structures with Pma(m) symmetry.
- Four distinct polytypes of maximum degree of order (MDO) were identified due to layer stacking possibilities.
- Crystals showed mixtures of MDO polytypes and orientations, with pronounced diffuse scattering indicating complex disorder not explained by simple growth models. One Rc(BHpz)2 crystal exhibited MDO3 fragments.
Conclusions:
- The crystallization of Fc(BHpz)2 and Rc(BHpz)2 results in complex OD structures with multiple MDO polytypes and orientations.
- The observed diffuse scattering highlights significant structural disorder, suggesting sophisticated growth mechanisms.
- These findings provide insights into the intricate crystallography of organometallic compounds and the factors governing their solid-state structures.
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