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. 2022 Sep 27;61(40):15853–15863. doi: 10.1021/acs.inorgchem.2c01667

Table 1. Selected Average Bond Lengths and Angles and Infrared Spectral Data for [Fe(bpy)2(CN)2] and [Fe(bpy)2(BCF)2].

  [Fe(bpy)2(CN)2]a [Fe(bpy)2(BCF)2]
C≡N 1.168(5) Å 1.153(3) Å
Fe–C 1.907(4) Å 1.877(2) Å
Fe–Ntrans 1.996(3) Å 1.995(2) Å
Fe–Ncis 1.958(3) Å 1.964(2) Å
C≡N–B   171.9(2)°
νC≡N 2070 and 2077 cm–1 2166 and 2181 cm–1
a

Crystal structure data for [Fe(bpy)2(CN)2] was obtained from ref (45).