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. Author manuscript; available in PMC: 2010 Sep 16.
Published in final edited form as: J Inorg Biochem. 2007 Jul 21;101(11-12):1594–1600. doi: 10.1016/j.jinorgbio.2007.07.011

Table 2.

Key experimental and geometry optimized (ADF with BP86) bond lengths for [MoVO(bdt)2]− and [WVO(bdt)2]−.

Crystal Structure Non-relativistic Relativistic
Mo W Mo W Mo W
M=O (Å) 1.67a 1.69b 1.72 1.75 1.71 1.72
M–S (ave, Å) 2.38a 2.37b 2.43 2.45 2.42 2.41
a

Reference [29].

b

Reference [8].