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

Table 2

Dihedral angles of some connections in ReABT (theoretical) and ReAPBT (experimental).

Bond angles	Angle (°)		Difference in bond angles
	Theoretical	Experimental
Re-C-Oax	178.84	175.8	3.040
Re-C-Oeq1	174.45	176.5	2.050
Re-C-Oeq2	177.21	179.9	2.690
Neq-Re-Nax	76.70	77.15	0.450
Ceq-Re-Ceq	89.03	88.78	0.250
Ceq2-Re-Cax	86.51	87.9	1.390
Ceq1-Re-Cax	89.57	84.5	5.070