Table 2.

Solid and solution phase ⁵⁹Co NMR parameters measured for synthetic cobaloximes^*

Compound	(e2qQ/h) (MHz)	ηq	δiso,solidcs (ppm)	δaniso,solidcs (ppm)	ηcs	(α, β, γ)† (degrees)	δiso,solutioncs (ppm)	Solution width (FWHH, kHz)
(CH3)(Py)Co(DH)2	29.6  ±  0.4	0.1  ±  0.2	3,640  ±  100	700  ±  50	0.3  ±  0.2	(30, 90, −10)	3,645  ±  5	2.2  ±  0.2‡
(CH3)(Im)Co(DH)2	32.1  ±  0.4	0.1  ±  0.2	3,620  ±  100	680  ±  50	0.4  ±  0.2	(10, 90, 45)	3,620  ±  5	3.7  ±  0.2‡
(CN)(Py)Co(DH)2	27.7  ±  0.4	0.0  ±  0.2	4,100  ±  100	−630  ±  50	0.5  ±  0.2	(15, 90, 50)	4,150  ±  10	11  ±  0.5§
K[(CN)2Co(DH)2]	40.2  ±  0.4	0.5  ±  0.2	3,200  ±  100	−500  ±  50	0.5  ±  0.2	(10,  0, 90)	3,270  ±  20	31  ±  1.0§
(CH3)(H2O)Co(DH)2	18.4  ±  0.4	1.0  ±  0.2	4,220  ±  100	430  ±  50	0.6  ±  0.2	(20, 80, −10)	4,220  ±  5	4.8  ±  0.2¶
[(NH3)2Co(DH)2]Cl	30.7  ±  0.4	0.6  ±  0.2	5,320  ±  100	−1,570  ±  50	0.2  ±  0.2	(0, 90, 90)	5,371  ±  5	7.6  ±  0.3¶

^*All isotropic shifts externally referenced to δ_K3[Co(CN)6] = 0 ppm. 

^†Average angular errors estimated at ± 25°. 

^‡Measured in acetone using ≈15 mg/ml solutions. 

^§Measured in dimethylsulfoxide using ≈10 mg/ml solutions. 

^¶Measured in water using ≈7 mg/ml solutions.