We present the structure of a novel solvate adduct formed by dissolving ferrocene, FeCp2, in hexafluorobenzene, C6F6. This adduct demonstrates the remarkably strong interactions between the five-membered aromatic rings of FeCp2 and the six-membered aromatic ring of C6F6. These molecular interactions are sufficiently strong and anisotropic to change the temperature of the order-disorder transition of the ferrocene molecule from ca. 163 K to RT. No solvate adduct could be formed between benzene and FeCp2. These observations will be of particular relevance to the crystal engineering community whose goal is the design of solids with bespoke properties.

中文翻译：

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溶剂在晶体工程中的影响：二茂铁有序-无序转变的显着变化

我们展示了通过将二茂铁 FeCp2 溶解在六氟苯 C6F6 中形成的新型溶剂化物加合物的结构。该加合物证明了 FeCp2 的五元芳环和 C6F6 的六元芳环之间非常强的相互作用。这些分子相互作用足够强且具有各向异性，可以将二茂铁分子的有序-无序转变温度从大约 163 K 为 RT。苯和 FeCp2 之间不能形成溶剂化物加合物。这些观察结果与晶体工程社区特别相关，他们的目标是设计具有定制特性的固体。