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Citation: Yao Xinkan, Song Licheng, Wang Honggen, Liu Ronggang, Wang Ruji, Wang Jitao. CRYSTAL STRUCTURE OF Fe-S CLUSTER COMPLEX (μ-MeS)[μ-Fe(CO)₂CpS]Fe₂(CO)₆[J]. Acta Physico-Chimica Sinica, ;1987, 3(06): 604-608. doi: 10.3866/PKU.WHXB19870609 shu

CRYSTAL STRUCTURE OF Fe-S CLUSTER COMPLEX (μ-MeS)[μ-Fe(CO)₂CpS]Fe₂(CO)₆

1.
Test Center and Department of Chemistry
Nankai University; Tianjin; China

Received Date: 4 July 1986
Available Online: 15 December 1987

The influences of the different substituents R~1 and R~2 on the structures of (μ-R~1S)(μ-R~2S)Fe_2(CO)_6 cluster complexes were studied. The [-Fe(CO)_2Cp] is a novel substituent, and thus there are some characteristics in the complex. The title complex belongs to monoclinic system, space group P2_1/n. The unit cell parameters a=0.79099(7), b=1.0774(1), c=2.2531(4) nm, γ=92.91(1)°, z=4, and D_=1.856 gcm~(-3). Refinement converged at R=0.024 and R_w=0.030 for the 2110 reflections with I≥3σ(I). The Fe-S(2) bond length are longer than the Fe-S(1) bond lengty, and the S(2) atom is bonded with the larger substituent Fe(CO)_2Cp. The unequivalency of the Fe-S bonds in the S bridges relates to the diffrentia between R~1 and R~2. The average length of Fe-S bonds is increased, when the fe or S atom is bonded with a large substituent, like PPh_3 or Fe(CO)_2Cp. Besides, the torsion angle of the cluster skeleton is sensitive to the existence of the large substituent. The Fe-S bond distancs inside the cluster skeleton ae shorter than that outside the cluster skeleton. It is thus obvious that the Fe-Fe bond has the effect of stabilizing the skeleton. The conformation of the substituents is (a,e) type. This is favourable for decreasing the reelling effect between the substituents.
【DOI】 cnki:ISSN:1000-6818.0.1987-06-008
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CRYSTAL STRUCTURE OF Fe-S CLUSTER COMPLEX (μ-MeS)[μ-Fe(CO)2CpS]Fe2(CO)6

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CRYSTAL STRUCTURE OF Fe-S CLUSTER COMPLEX (μ-MeS)[μ-Fe(CO)₂CpS]Fe₂(CO)₆