Reaction of Co(CNS)
2 with Fe
2S
2(CO)
6, LiBEt
3H and PPh
3 in THF
![](/images/glyphs/BO7.GIF)
MeCN resulting in a novel cobalt carbonyl complex, Co(CO)
3(PPh
3)
2BEt
3 (
1) and mixed-metal Co
![](/images/glyphs/BO7.GIF)
Fe
![](/images/glyphs/BO7.GIF)
S cluster compound, [Et
4N][Fe
2Co(CO)
8S(PPh
3)] (
2). The structures of
1 and
2 were determined from X-ray three dimension data. Structure studies reveal that
1 is a new cobalt carbonyl complex containing a novel B
![](/images/glyphs/BO7.GIF)
O bond of 1.601(5) Å in which the oxygen atom is from metal carbonyl and the B atom is from BEt
3 and
2 contained a triangular pyramid mixed-metal Co
![](/images/glyphs/BO7.GIF)
Fe
![](/images/glyphs/BO7.GIF)
S core [CoFe
2S]
− with Co
![](/images/glyphs/BO7.GIF)
S of 2.189, Fe
![](/images/glyphs/BO7.GIF)
S of 2.208, Co
![](/images/glyphs/BO7.GIF)
Fe of 2.56 and Fe
![](/images/glyphs/BO7.GIF)
Fe of 2.58 Å. Theoretical calculation on
1 and
2 shows that B
![](/images/glyphs/BO7.GIF)
O bonding energy of complex
1 is lower than that of normal covalent bonding and
2 possesses a calculated nonlinear optical first molecular hyperpolarizability component of 28.5×10
−30 esu. The possible formation pathway of
1 and
2 was discussed.