BONYL(ETA(5)-CYCLOPENTADIENYL)(PYRROLYL-N)IRON(II)

Citation
M. Powell et al., BONYL(ETA(5)-CYCLOPENTADIENYL)(PYRROLYL-N)IRON(II), Acta crystallographica. Section C, Crystal structure communications, 53, 1997, pp. 1611-1613
Citations number
9
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
53
Year of publication
1997
Part
11
Pages
1611 - 1613
Database
ISI
SICI code
0108-2701(1997)53:<1611:B>2.0.ZU;2-N
Abstract
The crystal structure of the title compound, [Fe(C5H5)-(C4H4N)(CO)(2)] , shows a discrete molecular structure with a distorted tetrahedral ge ometry about the Fe atom. The bond angles between the ligands in the t ripod and the Fe-Cp-centroid vector range from 121.9 to 123.7(3)degree s, and the angles between the tripod ligands range from 90.5(4) to 96. 0(4)degrees. The mean Fe-C-carbonyl and Fe-C-Cp distances are 1.776(4) and 2.098(16)Angstrom, respectively [Fe-Cp-centroid 1.722(4)Angstrom] , and the Fe-N-pyrrole distance is 1.962(3)Angstrom. The Cp and pyrrol e rings are both planar (maximum deviations of 0.007 and 0.006 Angstro m, respectively). The rotational orientation of the Cp ring with respe ct to the tripod ligands is approximately eclipsed with respect to the Fe-N-pyrrole bond [N(1)-Fe(1)-Cp-centroid-C(8) -3.1 degrees]. The dih edral angle between the pyrrole ring and the N(1)-Fe(1)-Cp-centroid pl ane is 73.7 degrees.