X-ray Structure Analysis Online
Online ISSN : 1883-3578
ISSN-L : 1883-3578
Part 4
Crystal Structure of a Vinylidene Iron Complex, Cis-[(η-Cp)2Fe2(μ-CO)(CO)2-{μ-C=C(COOCH3)2}], Formed by 1,2-Acyl Shift of Dimethylacetylenedicarboxylate
Shinsaku YAMAZAKIToshiaki YONEMURA
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Supplementary material

2014 Volume 30 Pages 15-16

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Abstract
The compound crystallized in a monoclinic system, and was characterized thus: P21/n; a = 8.821(5)Å, b = 14.971(5)Å, c = 14.473(5)Å, β = 101.306(5)°, Z = 4, V = 1874.20(24)Å3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F2 to final values of R1 = 0.0528 and wR2 = 0.1574. An acyl-group of the dimethylacetylene dicarboxylate ligand underwent a 1,2-acyl shift, while forming a vinylidene dianion, which newly bridged to the cis-dicyclopentadienyldiiron-group by the (μ,η1:η1)-bond fashion with atomic distances of Fe1-Fe2 2.5028(15)Å, C1-C2 1.342(4)Å, and Fe1-C1 1.917(3)Å, Fe2-C1 1.901(3)Å, respectively.
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© 2014 by The Japan Society for Analytical Chemistry
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