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. 2015 Oct 19;7(1):416–423. doi: 10.1039/c5sc02477c

Table 2. Summary of magnetic and spectral parameters for 1–3 a .

1 2 3
g x b 2.00(1) 2.00(3) 2.00(1)
g y b 2.02(1) 2.07(1) 2.04(1)
g z b 2.10(4) 2.10(3) 2.08(3)
D b (cm–1) 5.21(3) 5.35(5) 5.61(9)
E b (cm–1) 0.59(2) 0.60(2) 0.59(2)
E/D b 0.11 0.11 0.10
g iso c 2.04 2.07 2.11
g iso d 2.04(1) 2.08(2) 2.07(1)
D d (cm–1) 5.6(1) 6.5(3) 5.5(2)
|E| d (cm–1) 0.5(3) 0.7(2) 0.7(1)
δ (mm s–1) 0.680(1) 0.663(1) 0.677(1)
ΔEQ (mm s–1) 4.326(2) 4.283(1) 4.330(1)

aReported errors in EPR parameters were estimated by variance in quality of the simulation of the 406.4 GHz spectrum and the resonant field vs. frequency plot as a function of parameter variance.

bDetermined by EPR.

cObtained from value of χMT at 300 K.

dDetermined by fits of variable-temperature, variable-field χMT data. Errors determined by averaging over the fits to data sets collected at 0.1, 0.5, and 1 T dc applied fields.