Exploring EPR Parameters of ¹⁸⁷Re Complexes for Designing New MRI Probes: From the Gas Phase to Solution and a Model Protein Environment

Table 1

Lengths of some bonds of the ReABT (theoretical) and ReAPBT (experimental) complexes.

Bond lengths	Length (Å)		Difference in bond lengths
	Theoretical	Experimental
Re-Cax	1.910	1.897	0.013
Re-Ceq1	1.924	1.901	0.023
Re-Ceq2	1.893	1.908	0.015
Re-Nax	2.293	2.179	0.114
Re-Neq	2.223	2.244	0.021
Cax-O	1.148	1.157	0.009
Ceq1-O	1.160	1.155	0.005
Ceq2-O	1.144	1.151	0.007