{μ-2-[4-(Benzothiazol-2-yl)benzyl]-2-azapropane-1,3-dithiolato-1:2κ4 S,S′:S,S′}bis[tricarbonyliron(I)]
The title compound, [Fe2(C16H14N2S3)(CO)6], was prepared as the biomimetic model for the active site of iron-only hydrogenase. The structure is similar to the diiron subsite of the iron-only hydrogenase active site, and contains a diiron-azadithiolate moiety in which a boat six-membered ring is fu...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297265/ |
| Summary: | The title compound, [Fe2(C16H14N2S3)(CO)6], was prepared as the biomimetic model for the active site of iron-only hydrogenase. The structure is similar to the diiron subsite of the iron-only hydrogenase active site, and contains a diiron-azadithiolate moiety in which a boat six-membered ring is fused with a chair six-membered ring. The substituted benzyl group attached to the bridging N atom resides in an equatorial position. The sum of the C—N—C angles around this N atom [331.9 (12)°] indicates sp
3 hybridization. |
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