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Structures viewed along the N−Fe−C bonds of three models of 9 after BP86/ZORA-def2-TZVP optimization, with their predicted Mössbauer parameters stated below. A: optimized structure with K+. B: optimized structure of the anion without K+. C: optimized structure with [K+(18-crown-6)(THF)2]. Potassium is represented as a purple sphere.
