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. Author manuscript; available in PMC: 2013 Oct 24.

Published in final edited form as: J Am Chem Soc. 2012 Oct 15;134(42):17526–17535. doi: 10.1021/ja304525n

Table 3.

Comparison of metrical parameters for [Co^III(μ-OH)Ca^II]⁺ and [Co^II(μ-OH₂)Ca^IIOH₂]⁺.

	[Co^III(μ-OH)Ca^II]⁺	[Co^II(μ-OH₂)Ca^IIOH₂]⁺
Bond Distances (Å)
Co1–O7	1.854(1)	2.221(2)
Co1–N1	1.997(1)	2.126(2)
Co1–N2	1.971(2)	2.037(2)
Co1–N3	1.950(2)	2.031(2)
Co1–N4	1.962(2)	2.013(2)
Ca1–O1	2.361(2)	2.399(1)
Ca1–O3	2.379(1)	–
Ca1–O7	2.266(1)	2.531(2)
Ca1–O13	–	2.369(2)
Ca1···Co1	3.804(1)	4.315(1)
d[Co-N_eq]	0.212	0.325
Bond Angles (°)
N1-Co1-O7	177.38(6)	177.75(7)
Co1-O7-Ca1	134.56(7)	130.41(7)
O7-Ca1-O13	–	100.29(6)
N3-Co1-N4	124.35(7)	113.87(8)
N4-Co1-N2	123.14(7)	11414(8)
N3-Co1-N2	109.01(7)	12440(8)