Inorganic Chemistry
ARTICLE
from the “squeeze”model converged in good agreement with the number of
solvate molecules predicted by the complete refinement. The “squeeze”
data are reported here. Methyl H atom positions, R-CH3, were optimized by
rotation about R-C bonds with idealized CꢀH, R--H, and H--H distances.
Remaining H atoms were included as riding idealized contributors. Methyl
H atom U’s were assigned as 1.5ꢁ Ueq of the carrier atom; remaining H
atom U’s were assigned as 1.2ꢁ carrier Ueq.
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’ ASSOCIATED CONTENT
S
Supporting Information. Crystallographic analyses and
b
additional spectroscopic, electrochemical, and preparative de-
tails. This material is available free of charge via the Internet at
’ AUTHOR INFORMATION
Corresponding Author
*E-mail: rauchfuz@illinois.edu.
’ ACKNOWLEDGMENT
This research was supported by the NIH. We thank David
Schilter for helpful advice.
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’ NOTE ADDED AFTER ASAP PUBLICATION
This paper was published on the Web on August 25, 2011, with
the incorrect artwork for the TOC and Abstract graphics. The
corrected version was reposted on August 29, 2011.
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dx.doi.org/10.1021/ic2012759 |Inorg. Chem. 2011, 50, 9554–9563