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The [Fe(NO)2{Fe(NO)(N(CH2CH2S)3)}-S,S’] complex. A) Scheme showing atom numbering and JAB coupling constant for interaction between {FeNO}7 (SA=3/2) and {Fe(NO)2}9 unit (SB=1/2); B) Spin density for the MS=1 state (ADF, OLYP//PW91, TZP, COSMO, contour value 0.03 eÅ−3).
