Neutron diffraction analysis of the structure of H/sub 3/Ni/sub 4/(C/sub 5/H/sub 5/)/sub 4/
Journal Article
·
· J. Am. Chem. Soc.; (United States)
The structure of H/sub 3/Ni/sub 4/Cp/sub 4/ (Cp=n/sup 5/-C/sub 5/H/sub 5/), an unusual paramagnetic metal cluster complex, has been analyzed by single-crystal neutron diffraction techniques at low temperature (81 K). As predicted from an earlier x-ray diffraction study, the hydrogen atoms bridge three faces of the Ni/sub 4/ tetrahedral core. Although the Ni/sub 4/ cluster itself is an essentially undistorted tetrahedron (with Ni-Ni edges of 2.469 (6) A), the individual Ni/sub 3/H linkages are unsymmetrical. The H atoms are slightly displaced away from the unique apical Ni atom: Ni-H distances involving the apical Ni atom average to 1.716 (3) A, while those involving the basal Ni atoms average to 1.678 (6) A. The overall mean Ni-H distance is 1.691 (8) A, and the H atoms are situated an average of 0.907 (6) A above the Ni/sub 3/ faces. Other average distances and angles in the molecule follow: H-H = 2.316 (6) A, Ni-C = 2.132 (5) A, Ni-H-Ni = 93.9 (3)/sup 0/, H-Ni-H = 86.1 (6)/sup 0/. The title compound crystallizes in space group C2/c with the following cell parameters at 81 K: a = 28.312 (13) A, b = 9.234 (5) A, c = 14.783 (7) A, BETA = 103.35 (2)/sup 0/, V = 3760 (3) A/sup 3/, Z = 8. The structure has been refined to yield final agreement factors of R/sub f/ reverse arrow 0.107 and R/sub wf/ = 0.067 for 2616 reflections having I > 1.5 sigma (I). (5 tables, 4 figures)
- Research Organization:
- Univ. of Southern California, Los Angeles
- OSTI ID:
- 5844278
- Journal Information:
- J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 101:19; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
Similar Records
Neutron diffraction studies of tetrahedral cluster transition metal hydride complexes: HFeCO/sub 3/(CO)/sub 9/(P(OCH/sub 3/)/sub 3/)/sub 3/ and H/sub 3/Ni/sub 4/(C/sub 5/H/sub 5/)/sub 4/
Interaction of iron ethynyl and ethynediyl complexes with Cp{sub 2}Ni{sub 2}(CO){sub 2}: Formation of tri- and tetranuclear adducts with a multiply bridging C{sub 2}H ligand
Structure of diethylammonium ethoxybis(diethylmonothiocarbamato)dioxouranate(VI), (C/sub 2/H/sub 5/)/sub 2/NH/sub 2//sup +/(UO/sub 2/((C/sub 2/H/sub 5/)/sub 2/NCOS)/sub 2/OC/sub 2/H/sub 5/)/sup -1/
Conference
·
Fri Dec 31 23:00:00 EST 1976
·
OSTI ID:7321308
Interaction of iron ethynyl and ethynediyl complexes with Cp{sub 2}Ni{sub 2}(CO){sub 2}: Formation of tri- and tetranuclear adducts with a multiply bridging C{sub 2}H ligand
Journal Article
·
Thu Oct 01 00:00:00 EDT 1992
· Organometallics
·
OSTI ID:273916
Structure of diethylammonium ethoxybis(diethylmonothiocarbamato)dioxouranate(VI), (C/sub 2/H/sub 5/)/sub 2/NH/sub 2//sup +/(UO/sub 2/((C/sub 2/H/sub 5/)/sub 2/NCOS)/sub 2/OC/sub 2/H/sub 5/)/sup -1/
Journal Article
·
Thu Nov 30 23:00:00 EST 1978
· Inorg. Chem.; (United States)
·
OSTI ID:6340596
Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
COHERENT SCATTERING
CRYOGENIC FLUIDS
DIFFRACTION
ELEMENTS
FLUIDS
HYDROGEN
LOW TEMPERATURE
METALS
NEUTRON DIFFRACTION
NICKEL
NICKEL COMPOUNDS
NONMETALS
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
SCATTERING
STRUCTURAL CHEMICAL ANALYSIS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
400201* -- Chemical & Physicochemical Properties
COHERENT SCATTERING
CRYOGENIC FLUIDS
DIFFRACTION
ELEMENTS
FLUIDS
HYDROGEN
LOW TEMPERATURE
METALS
NEUTRON DIFFRACTION
NICKEL
NICKEL COMPOUNDS
NONMETALS
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
SCATTERING
STRUCTURAL CHEMICAL ANALYSIS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS