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. Author manuscript; available in PMC: 2009 Sep 30.

Published in final edited form as: Dalton Trans. 2008 Dec 5;(3):424–433. doi: 10.1039/b810895a

Table 4.

Estimates of K_Co and pK_base-off for NOCbl from the DMB ¹³C NMR chemical shifts^a

	Correlation			Calculated for NOCbl
Carbon	Slope (ppm kcal⁻¹)	Intercept (ppm)	r²	ΔG_Co^o (kcal mol⁻¹)	K_Co	pK_base-off
B4	0.380 ± 0.025	122.10 ± 0.14	0.966	−2.14	37.1	3.98
B5	−0.306 ± 0.016	133.087 ± 0.084	0.980	−2.17	39.0	3.96
B6	−0.282 ± 0.014	135.437 ± 0.076	0.981	−1.11	6.56	4.68
B8	0.151 ± 0.010	133.420 ± 0.055	0.966	5.22	1.49 × 10⁻⁴	5.56
B9	0.277 ± 0.020	141.64 ± 0.11	0.960	2.67	1.10 × 10⁻²	5.56

^a

See Ref. 61 and 62.