Table 4. Calculated Effective/Projected ¹⁷O Isotropic Hyperfine Coupling Constants of the W1, W2, and O5 Ligands of the S₂–NH₃ Models with S_GS = 1/2^a.

	O5	W1	W2
A4		3.8	16.7
A5		0.7	0.6
A8		1.2	3.9
A9		0.9	0.4
A10		8.2	0.5
B1	8.1		4.7
B3	10.8		1.4
C1	11.9	8.8
C2	12.2	3.4
D4	8.2	16.8	12.3
D5	33.9	3.6	0.9
E1	4.8	5.5	5.4
E2	8.6	2.4	11.1
E3	11.5	2.6	1.7
Exp.
T. vestitus(45)	7.0	3.1
S2 state without ammonia:
S2	8.5	9.4	1.3
S2H	12.0	1.2	2.5
Exp.
T. vestitus(45)	9.7	4.5	1.4

^aResults are compared with parameters fitted from W-band EDNMR spectra.