Crystallographic Space Group Choice and Its Chemical Consequences: Revised Crystal Structure of [Fe(phen)2Cl2]NO3

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Abstract

The crystal structure of [Fe(phen)2Cl2]NO3, recently published in the C2/c space group, has been redetermined. The revised structure is shown to belong to the lower symmetry space group Cc and to contain additional water and acetic acid solvent molecules involved in one-dimensional, hydrogen-bonded chains incorporating the nitrate counterion. Accordingly, crystals obtained by means of the reported procedure should be formulated as [Fe(phen)2Cl2]NO3·CH3COOH·H2O for proper use in further experiments.

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