Issue 8, 1974

Accurate determination of a classic structure in the metal carbonyl field: nonacarbonyldi-iron

Abstract

An equidimensional single crystal of Fe2(CO)9 has been used to reinvestigate the molecular structure. The results confirm all the main qualitative features originally reported by Powell and Ewens, and provide the level of accuracy needed for comparison with other structures and for molecular orbital calculations. The molecular symmetry is C3h([6 with combining macron]), but there is little deviation from the higher symmetry D3h([6 with combining macron]m2). The important molecular dimensions, with their estimated standard deviations in parentheses are: Fe–Fe, 2·523(1)Å; Fe–C (terminal), 1·838(3)Å, Fe–C (bridge), 2·016(3)Å; C–O (terminal), 1·156(4)Å; C–O (bridge), 1·176(5)Å; C(term.)–Fe–C(term.), 96·1 (1)°; Fe–C(bridge)–Fe, 77·6(1)°; Fe–C–O (term.), 177·1 (3)°. Space group: P63/m. a= 6·436(1)Å, c= 16·123(2)Å, V= 578·4(2)Å3, Z= 1. Of 1064 unique reflections measured with a counter diffractometer, 604 with intensity at least three times the e.s.d. were used to refine the structure (34 parameters) to final discrepancy indices of 0·040 (unit weighted data) and 0·050 (weighted data).

Article information

Article type
Paper

J. Chem. Soc., Dalton Trans., 1974, 800-802

Accurate determination of a classic structure in the metal carbonyl field: nonacarbonyldi-iron

F. A. Cotton and J. M. Troup, J. Chem. Soc., Dalton Trans., 1974, 800 DOI: 10.1039/DT9740000800

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements