Neutron diffraction study of HFeCo/sub 3/(CO)/sub 9/(P(OCH/sub 3/)/sub 3/)/sub 3/, a metal cluster complex with a triply bridging hydride ligand

Journal Article · Wed May 10 00:00:00 EDT 1978 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00478a019· OSTI ID:6977858

McMullan, R K; Koetzle, T F; Bau, R

We wish to report the first accurate neutron diffraction study of a transition metal structure with a triply bridging hydride ligand, the cluster HFeCo/sub 3/(CO)/sub 9/(P(OCH/sub 3/)/sub 3/)/sub 3/. The compound crystallizes in the space group P2/sub 1//c, Z = 4. The cell constants at 90 K are a = 15.957 (8) A, b = 10.611 (5) A/sub 9/ c = 18.383 (9) A, ..beta.. = 98.70 (2)/sup 0/. The structure was refined, based on the measured intensities of 8229 reflections; the final discrepancy factors for all reflections are R/sub F/sup 2// = 0.087, R/sub wF/sup 2// = 0.066. The four metal atoms form a tetrahedron with the apical Fe atom additionally bonded to three terminal carbonyl groups. Each Co atom is further bonded to one terminal and two bridging carbonyl ligands, as well as one phosphite group and the hydride ligand. The hydride ligand is located outside the metal cluster, 0.978 (3) A from the Co/sub 3/ face. This result confirms that of an earlier x-ray investigation by Huie, Knobler, and Kaesz. The Co--H distances are 1.724 (3), 1.731 (3), and 1.728 (3) A, and Co--H--Co angles are 92.1 (1), 91.7 (1), and 91.5 (1)/sup 0/.

• Research Organization: Univ. of Southern California, Los Angeles
• OSTI ID: 6977858
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 100:10; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
BOND ANGLE
BOND LENGTHS
CARBONYLS
COBALT COMPLEXES
COHERENT SCATTERING
COMPLEXES
CRYSTAL STRUCTURE
DIFFRACTION
IRON COMPLEXES
LATTICE PARAMETERS
NEUTRON DIFFRACTION
PHOSPHORUS COMPLEXES
SCATTERING
TRANSITION ELEMENT COMPLEXES