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A permethylcyclopentadienyl carbollide scandium complex, Sc_2Si_4O_3C_(50)B_(18)Li_2H_(114)

Marsh, Richard E. and Schaefer, William P. and Bazan, Guillermo C. and Bercaw, John E. (1992) A permethylcyclopentadienyl carbollide scandium complex, Sc_2Si_4O_3C_(50)B_(18)Li_2H_(114). Acta Crystallographica Section C, 48 (8). pp. 1416-1419. ISSN 0108-2701. doi:10.1107/S0108270192000714.

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Tris(tetrahydrofuran)lithium lithium bis[3-bis (trimethylsilyl)methyl-3-(η^5-pentamethylcyclopentadienyl)-1,2-dicarba-3-scanda-closo-dodecaborate- (l-)], [Li(C_4H_80)_3].Li[Sc(C_2B_9H_(11))(C_(10)H_(15))CH {Si( CH_3)_3)]_2]_2, M_r = 1174.16, triclinic, Pl, ɑ = 8.924 (4), b = 18.467 (5), c = 22.165 (3)Å, ɑ = 91.42 (2), β = 92.36 (2), y = 92.21 (3)º, v = 3645.6 (18) A^3, Z = 2, D_x = 1.07 g cm^(-3), λ(Mo Kɑ)= 0.71073 Å, μ = 2.84 cm^(-1), F(000) = 1264, room temperature, 294 K, R = 0.064 for 3069 reflections. Each Sc atom is bonded to one Cp^* in an 175 fashion, to one carbollide ligand in an η^5 fashion (completing a distorted icosahedron), and to one -CH(SiMe_3)_2 group in the cleft; the angle at Sc subtended by the centers of the two η^5 groups is 137.8°. Two of these complexes share an Li atom which is loosely bonded to three B atoms of each carbollide, creating a dimeric monoanion. The counterion, a second Li atom, is coordinated to three tetrahydrofuran molecules.

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Additional Information:© 1992 International Union of Crystallography. Received 3 July 1991; accepted 14 January 1992. The work was supported by the US DOE Office of Basic Energy Sciences (Grant No. DE-FG03-85ER113431) and by Exxon Chemicals Americas. GCB thanks NSERCC for a postdoctoral fellowship.
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG03-85ER113431
Exxon Chemicals AmericaUNSPECIFIED
Natural Sciences and Engineering Research Council of Canada (NSERC)UNSPECIFIED
Issue or Number:8
Record Number:CaltechAUTHORS:20160914-100611327
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Official Citation:Marsh, R. E., Schaefer, W. P., Bazan, G. C. and Bercaw, J. E. (1992), A permethylcyclopentadienyl carbollide scandium complex, Sc2Si4O3C50B18Li2H114. Acta Crystallographica Section C, 48: 1416–1419. doi: 10.1107/S0108270192000714
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:70341
Deposited By: Ruth Sustaita
Deposited On:29 Sep 2016 23:27
Last Modified:11 Nov 2021 04:27

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