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Positional and compositional disorder in a ruthenium(II) piano‐stool complex

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In (η6p‐cymene)(difluorophosphinato‐κO){2‐[(1H‐pyrazol‐1‐yl)methyl‐κN 2]pyridine‐κN}ruthenium(II) 0.85‐hexafluorophosphate 0.15‐tetrafluoroborate, [Ru(PO2F2)(C10H14)(C9H9N3)](PF6)0.85(BF4)0.15, (I), the [PO2F2] ligand exhibits positional disorder due to one F atom and one O atom sharing the same two positions related by a mirror reflection across the O—P—F plane. The correct composition of this coordinated anion was successfully determined to be [PO2F2] by refining the complex with various tetrahedral anions in which terminal atoms have similar atomic form factors. The noncoordinated counter‐ion is compositionally disordered between [PF6] and [BF4]. The difficulty in determining the correct composition of this anion illustrates the importance of a crystallographer remaining impartial and open to encountering unexpected moieties in the process of elucidating a structure.
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Document Type: Research Article

Publication date: August 15, 2013

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