Table 1.

Solid-state ⁵⁹Co NMR parameters measured for the B₁₂ derivatives

Compound	(e2qQ/h) (MHz)	ηq	δisocs* (ppm)	δanisocs (ppm)	ηcs	(α, β, γ) (degrees)
Vitamin B12†	17.7  ±  0.6	0.2  ±  0.2	4,800  ±  100	−800  ±  60	0.2  ±  0.2	(135 ± 40,  45 ± 25, 45 ± 40)
B12 coenzyme†	23.5  ±  0.6	1.0  ±  0.2	4,500  ±  100	850  ±  60	0.6  ±  0.2	(45 ± 30, 160 ± 20, 45 ± 30)
Methylcobalamin†	19.0  ±  0.6	0.4  ±  0.2	4,340  ±  120	1,690  ±  80	0.3  ±  0.2	(45 ± 40, 150 ± 25, 50 ± 40)
Dicyanocobyrinic acid† heptamethylester	26.7  ±  0.8	0.9  ±  0.4	4,300  ±  200	−880  ±  100	0.7  ±  0.2	(0 ± 35,  95 ± 35,  0 ± 35)
Vitamin B12‡	26.1  ±  0.4	0.1  ±  0.2	4,650  ±  100	−650  ±  100	0.2  ±  0.2	(45 ± 25,  40 ± 20, 20 ± 20)
B12 coenzyme‡	22.0  ±  2.0	0.7  ±  0.4	4,700  ±  300	−1,000  ±  200	1.0  ±  0.4	(45 ± 35,  75 ± 35,  0 ± 35)
Methylcobalamin‡	12.1  ±  0.4	0.3  ±  0.2	4,250  ±  100	1,760  ±  80	0.4  ±  0.2	(25 ± 40,  60 ± 25,  0 ± 40)
Dicyanocobyrinic acid‡ heptamethylester	26.7  ±  0.8	0.9  ±  0.4	4,300  ±  200	−880  ±  100	0.7  ±  0.2	(0 ± 35,  95 ± 35,  0 ± 35)

^*Externally referenced to δ_K3[Co(CN)6] = 0 ppm. 

^†As purchased samples. 

^‡Slowly crystallized samples.