Table 2. Calculated Effective/Projected and Experimental Isotropic Hyperfine Coupling Constants (|A_iso|, in MHz) for the Mn Ions of the S₂–NH₃ Models with S_GS = 1/2 and of the S₂ State Models, Arranged in the Descending Order, i.e., A₁ > A₂ > A₃ > A₄, with the Corresponding Mn Ion Indicated in Square Brackets, and Ratios A₁/A₂, A₂/A₃, A₃/A₄.

	A1	A2	A3	A4	A1/A2	A2/A3	A3/A4
A4	448 [4]	216 [3]	189 [2]	188 [1]	2.07	1.14	1.01
A5	416 [1]	235 [4]	247 [2]	190 [3]	1.77	0.95	1.30
A8	315 [1]	258 [2]	243 [4]	192 [3]	1.22	1.06	1.27
A9	339 [1]	250 [2]	201 [4]	172 [3]	1.35	1.25	1.16
A10	451 [4]	203 [3]	199 [2]	191 [1]	2.22	1.02	1.04
B1	311 [1]	291 [4]	248 [2]	206 [3]	1.07	1.17	1.21
B3	349 [4]	292 [1]	243 [3]	237 [2]	1.19	1.20	1.03
C1	339 [1]	247 [2]	169 [4]	139 [3]	1.37	1.46	1.21
C2	374 [4]	276 [1]	247 [3]	233 [2]	1.35	1.12	1.06
D4	409 [4]	329 [1]	227 [3]	183 [2]	1.24	1.45	1.24
D5	342 [1]	342 [3]	238 [4]	223 [2]	1.00	1.44	1.07
E1	447 [1]	252 [2]	134 [4]	100 [3]	1.78	1.88	1.35
E2	386 [4]	339 [1]	232 [3]	202 [2]	1.14	1.46	1.15
E3	368 [4]	347 [1]	243 [3]	214 [2]	1.06	1.43	1.13
exp.
Synechocystis(51)	313	206	198	153	1.52	1.04	1.29
Spinach(51)	318	205	193	160	1.55	1.06	1.21
T. vestitus(45)	331	231	225	186	1.43	1.03	1.21
S2 state without ammonia:
S2	313 [4]	302 [1]	246 [2]	210 [3]	1.04	1.23	1.17
S2H	368 [4]	284 [1]	244 [3]	234 [2]	1.29	1.17	1.04
exp.
Synechocystis(51)	307	209	204	190	1.47	1.02	1.07
Spinach(51)	310	242	205	194	1.28	1.18	1.06
T. vestitus(45)	333	230	227	194	1.45	1.01	1.17