Pentahydridorhenium: crystal and molecular structure of ReH/sub 5/(PMePh/sub 2/)/sub 3/

Journal Article · Wed Nov 21 04:00:00 EST 1984 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00192a034· OSTI ID:5866583

Emge, T J; Koetzle, T F; Bruno, J W; Caulton, K G

The crystal and molecular structure of the pentahydrido complex ReH/sub 5/(PMePh/sub 2/)/sub 3/, has been determined by x-ray diffraction techniques at room temperature and refined against neutron diffraction data obtained at 20 K to yield precise locations for all atoms. The two independent molecules in the unit cell possess essentially identical dodecahedral cores, with the three phosphines and one hydride in B (5-neighbor) positions and the remaining four hydrides in A (4-neighbor) sites. The mean Re-H bond distance is 1.688 (5)A, which is in agreement with that found in K/sub 2/ReH/sub 9/(1.68(1)A). At convergence with anisotropic thermal parameters refined for all 174 atoms (1568 variables), agreement factors are presented for 11,374 independent neutron observations. Crystal data at 20.0(5)K are presented for the complex. In solution, /sup 1/H and /sup 31/P (/sup 1/H) NMR meausrements indicated that the compounds are fluxional molecules, with magnetically equivalent hydrides and phosphides at 25/sup 0/C.

• Research Organization: Brookhaven National Lab., Upton, NY
• OSTI ID: 5866583
• Journal Information: Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 23:24; ISSN INOCA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
CRYSTAL STRUCTURE
DATA
EXPERIMENTAL DATA
INFORMATION
MOLECULAR STRUCTURE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
REFRACTORY METAL COMPOUNDS
RHENIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS