|Molar mass||373.94 g/mol|
|Melting point||65 °C (149 °F; 338 K) (isomer A), 102 °C (isomer B)|
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Methylthioirontricarbonyl dimer, also known as methanethiolatoirontricarbonyl dimer, is an organometallic compound with the formula Fe2(SCH3)2(CO)6. It is a red volatile solid that is classified as a transition metal thiolate complex. It exists as air-stable red crystals with two isomers, where the methyl groups are either anti (isomer A) or syn (isomer B) with respect to each other.
- 2 Fe3(CO)12 + 3 (CH3)2S2 → 3 [Fe(CO)3SCH3]2 + 6 CO
The methylthioirontricarbonyl dimer consists of two iron atoms with distorted square pyramidal coordination geometry. The geometry is octahedral if the Fe-Fe bond is included. Each iron has three terminal carbon monoxide ligands and two bridging methylthiolate ligands. The Fe-Fe distance is 2.537 Å with an average Fe-S bond length of 2.259 Å. The average Fe-S-Fe bond angle is relatively small at 68.33°. Three isomers are possible but only the diequatorial and axial-equatorial isomers are seen. The diaxial isomer is disfavored due to steric hindrance. The structurally related compound [Fe(CO)3S]2 has idealized C2v symmetry.
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