. Author manuscript; available in PMC: 2011 Jan 29.

Published in final edited form as: Biol Magn Reson. 2010 Jan 1;29(2):121–168. doi: 10.1007/978-1-4419-1139-1_6

Table 2.

hfi and nqi Parameters of ¹⁷O in [Mo¹⁷O(SPh)₄]⁻ and the Mo(V) Center of hpH CSO in H₂¹⁷O (orientations of hfi and nqi tensors relative to g-frames)

System	[Mo¹⁷O(SPh)₄]⁻	hpH CSO
a_iso (MHz)	6.5	6.3
(T₁₁, T₂₂, T₃₃) (MHz)	(1.6, 1.6, −3.2)	(2.4, 1, −3.4)
(θ_h, φ_h, ψ_h)	(0°, NA, NA)	(20°, 55°, −10°)
e²Qq/h (MHz)	1.45	1.5
η	0	1
(θ_q, φ_q, ψ_q)	(0°, NA, NA)	(20°, 55°, 0°)