Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)

Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)

The title compound, [Fe2(C9H11NS2){Fe(C5H5)(C17H14P)}(CO)5], was prepared as an azadithiolato–iron model for the iron-only hydrogenase active site. The Fe2S2 unit exhibits a butterfly conformation and the ferrocenyldiphenylphosphine ligand is trans to the Fe—Fe bond. The Fe&#...

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Main Authors: Yan-Feng Tang, Jin-Li Zhu
Format: Article
Language:English
Published: International Union of Crystallography 2008-11-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808032698
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spelling doaj-b94747a404f24eb68a9add656e2b15f42020-11-24T21:52:59ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-11-016411m1423m142310.1107/S1600536808032698Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)Yan-Feng TangJin-Li ZhuThe title compound, [Fe2(C9H11NS2){Fe(C5H5)(C17H14P)}(CO)5], was prepared as an azadithiolato–iron model for the iron-only hydrogenase active site. The Fe2S2 unit exhibits a butterfly conformation and the ferrocenyldiphenylphosphine ligand is trans to the Fe—Fe bond. The Fe—Fe distance of 2.5160 (8) Å is longer than found in related model structures. Intramolecular C—H...S and intermolecular C—H...O hydrogen bonds are observed.http://scripts.iucr.org/cgi-bin/paper?S1600536808032698
collection DOAJ
language English
format Article
sources DOAJ
author Yan-Feng Tang
Jin-Li Zhu
spellingShingle Yan-Feng Tang
Jin-Li Zhu
Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)
Acta Crystallographica Section E
author_facet Yan-Feng Tang
Jin-Li Zhu
author_sort Yan-Feng Tang
title Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)
title_short Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)
title_full Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)
title_fullStr Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)
title_full_unstemmed Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)
title_sort pentacarbonyl-1κ2c,2κ3c-(ferrocenyldiphenylphosphine-1κp)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4s,s′:s,s′]diiron(i)(fe—fe)
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2008-11-01
description The title compound, [Fe2(C9H11NS2){Fe(C5H5)(C17H14P)}(CO)5], was prepared as an azadithiolato–iron model for the iron-only hydrogenase active site. The Fe2S2 unit exhibits a butterfly conformation and the ferrocenyldiphenylphosphine ligand is trans to the Fe—Fe bond. The Fe—Fe distance of 2.5160 (8) Å is longer than found in related model structures. Intramolecular C—H...S and intermolecular C—H...O hydrogen bonds are observed.
url http://scripts.iucr.org/cgi-bin/paper?S1600536808032698
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AT jinlizhu pentacarbonyl19542c29543cferrocenyldiphenylphosphine1954p95624methylphenyl2azapropane13dithiolato129544ss8242ss8242diironife8212fe
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