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Cp,Cp*-Dimethyltantalum Triflate

Schaefer, William P. and Quan, Roger W. and Bercaw, John E. (1992) Cp,Cp*-Dimethyltantalum Triflate. Acta Crystallographica Section C, 48 (9). pp. 1610-1612. ISSN 0108-2701. doi:10.1107/S0108270192001628.

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(η^5-Cyclopentadienyl)(dimethyl)(η^5-pentamethylcyclopentadienyl)tantalum trifluoromethylsulfonate, [Ta(C_5H_5)(C_(10)H_(15)CH_3)_2]CF_3S0_3, M_r = 560.41, orthorhombic, Pbca, ɑ = 14.230 (4), b = 19.283 (4), c = 14.628 (4) Å, v = 4014 (2) Å^3, z = 8, D_x = 1.855 g cm^(-3), λ(Mo Kɑ)= 0.71073 Å, μ = 55.3 cm^(-1), F(000) = 2192, room temperature, R(F) = 0.038 for 1882 reflections with F_o^2 > 3σ(F_o^2). The Ta-C(methyl)Å distances are virtually equal at 2.171 (12) Å, with a C-Ta-C angle of 95.8 (5)º. The coordination of the two η^5 ligands is normal; the Cp(centroid}-Ta-Cp^*(centroid) angle is 136.2°. Intermolecular contacts are all approximately at van der Waals distances, with indications of CH···O hydrogen bonding between methyl groups and the triflate anion.

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Additional Information:© 1992 International Union of Crystallography. Received 30 September 1991; accepted 4 February 1992. This work was supported by the National Science Foundation (Grant No. CHE-8901593) and Shell Companies Foundation.
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Shell Companies FoundationUNSPECIFIED
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Caltech Division of Chemistry and Chemical Engineering8516
Issue or Number:9
Record Number:CaltechAUTHORS:20160914-141706592
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Official Citation:Schaefer, W. P., Quan, R. W. and Bercaw, J. E. (1992), Cp,Cp*-dimethyltantalum triflate. Acta Crystallographica Section C, 48: 1610–1612. doi: 10.1107/S0108270192001628
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:70354
Deposited By: Ruth Sustaita
Deposited On:29 Sep 2016 23:37
Last Modified:11 Nov 2021 04:27

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