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. Author manuscript; available in PMC: 2015 Nov 23.
Published in final edited form as: Inorg Chem. 2012 Feb 14;51(5):2867–2879. doi: 10.1021/ic202052g

Table 3.

Calculated bond orders based on a Mayer population analysis85–87

Cobalamins Cobinamides
R Co–R Co–Nax Co–R Co–Oax
Me 1.11 0.31 1.08 < 0.10
CN 0.96 0.41 0.98 0.21
H2O 0.40 0.74 0.56 0.53