Table 1.

Principal HFI tensor values (MHz) for 1edt and 1adt obtained from simulations of experimental spectra.

Nucleus (assignment)	Ax	Ay	Az	Aa)iso	Euler angles (deg)
					α	β	γ
1edt
31P1 (dppv)	−72	−71	−80	−74.3	0	30	0
31P2 (dppv)	−73	−72	−85	−76.6	0	30	0
31P3 (PMe3)	−9.5	−11.0	−8.5	−9.7	0	40	0
57Fe (Fe1)	−12.0	+16.6	−29.5	−8.3	10	10	0
57Fe (Fe2)	−3.0	−1.0	+0.5	−1.16	0	15	20
1adt
31P1 (dppv)	−70	−71	−78	−73.0	0	30	0
31P2 (dppv)	−69	−72	−85	−75.3	0	30	0
31P (PMe3)	−4.3	−4.5	−3	−3.90	0	30	0
14N1b)	+5.4	+3.7	+3.0	+4.0	10	25	0
14N2b)	+0.0	+0.0	+3.5	+1.17	30	60	0
1H1	+11.1	+15.8	+13.5	+13.4	40	30	0
1H2	+5.0	+8.5	+10.5	+8.0	30	30	0

^a)A_iso = (A_x + A_y + A_z)/3

^b)sign of the HF coupling is assumed based on DFT calculations (vide infra).