Structure of (Mu-Sulfur Dioxide)bis(dicarbonylcyclopentadienyliron) Hydrate

by Cordes, A. Wallace; Askew, Edward Fugitt; Tyler, D. R.; Koenig, T. W.

[Fe2(CO)4(SO2)(C5H5)2].H2O, M(r) = 436.0, monoclinic, P2(1)/n, a = 10.884 (2), b = 12.424 (1), c = 12.658 (5) angstrom, beta = 103.35 (3)degrees, V = 1665.3 (13) angstrom-3, Z = 4, D(x) = 1.74 g cm-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 18.9 cm-1, F(000) = 880, T = 293 K, R = 0.0355 for 1455 reflections with F0(2) > 3-sigma(F0(2)). Hydrogen bonds between the water molecule and the SO2 unit link complexes related by the inversion centers. The water molecule causes the complex to crystallize in a trans conformation as opposed to the gauche form of the anhydrous material. S--O distances are 1.480 (4) and 1.496 (4) angstrom and Fe--S distances are 2.268 (2) and 2.282 (2) angstrom. Fe--S--Fe and O--S--O angles are 119.64 (7) and 111.2 (2)-degrees, respectively.

Journal
Acta Crystallographica Section C-Crystal Structure Communications
Volume
47
Year
1991
Start Page
643
ISBN/ISSN
2053-2296; 0108-2701
DOI
10.1107/S0108270190009556