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Structure of permethyltantalocenephenylmethanecarbothialdehyde hydride, (η^5-C_5Me_5)_2Ta(η^2-SCHCH_2C_6H_5)H

Nelson, Janet E. and Bercaw, John E. and Marsh, Richard E. and Henling, Lawrence M. (1992) Structure of permethyltantalocenephenylmethanecarbothialdehyde hydride, (η^5-C_5Me_5)_2Ta(η^2-SCHCH_2C_6H_5)H. Acta Crystallographica Section C, 48 (6). pp. 1023-1025. ISSN 0108-2701. https://resolver.caltech.edu/CaltechAUTHORS:20160914-100610561

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Abstract

Hydridobis( 7] 5-pentamethylcyclopentadienyl) (phenylmethanecarbothialdehyde-kC,kS)tantalum C_(28)H_(39)STa, Mr= 588.63, monoclinic, P2_1 c, ɑ = 15.729 (5), b = 10.203 (2), c = 17.599 (5) Å, β = 116.18 (2)º , v = 2535 (1) Å^3, z = 4, D_x = 1.54 g cm^(-3), λ(Mo Kɑ) = 0.71073 A, μ = 46.6 cm^(-1), F(000) = 1184, room temperature (297 K), R = 0.068 for 2333 reflections with F_o^2 > 0, R = 0.054 for 2179 with F_o^2 > 3σ(F_o^2). The structure is disordered, with two enantiomeric molecules occupying the same crystallographic site. For the major component, the thioaldehyde ligand has an S-C bond length of 1.86 (2) Å. The ligand is bonded to the Ta center with a Ta-S bond distance of 2.418 (9) Å and a Ta-C bond distance of 2.28 (2) Å.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1107/S0108270191011927DOIArticle
http://scripts.iucr.org/cgi-bin/paper?S0108270191011927PublisherArticle
http://onlinelibrary.wiley.com/doi/10.1107/S0108270191011927/abstractPublisherArticle
Additional Information:© 1992 International Union of Crystallography. Received 13 March 1991; accepted 10 October 1991.
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Division of Chemistry and Chemical Engineering8408
Issue or Number:6
Record Number:CaltechAUTHORS:20160914-100610561
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160914-100610561
Official Citation:Nelson, J. E., Bercaw, J. E., Marsh, R. E. and Henling, L. M. (1992), Structure of permethyltantalocenephenylmethanecarbothialdehyde hydride, (η5-C5Me5)2Ta(η2-SCHCH2C6H5)H. Acta Crystallographica Section C, 48: 1023–1025. doi: 10.1107/S0108270191011927
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:70338
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:29 Sep 2016 23:02
Last Modified:03 Oct 2019 10:30

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