. Author manuscript; available in PMC: 2011 Sep 11.

Published in final edited form as: J Am Chem Soc. 2009 Aug 12;131(31):11213–11221. doi: 10.1021/ja903847a

Table 1.

Summary of Core Structural Comparisons of Cubane-type Clusters [M₄S₄L₄]^0,1+(M = Co, Fe; L = PPrⁱ₃, Prⁱ₂NHCMe₂)

cluster	M-S (A)^a	M-M (A)^a	V(M₄) (A³)^b	V(S₄) (A³)	V(M₄S₄) (A³)
[Co₄S₄(PPrⁱ₃)₄]^c	2.223[8]	2.603[9]	2.08	5.26	8.50
[Co₄S₄(Prⁱ₂NHCMe₂)₄]^d	2.25[1]	2.69[2]	2.30	5.33	9.12
[Fe₄S₄(Prⁱ₂NHCMe₂)₄]^e,^f	2.33[2]	2.68[1]	2.26	6.14	9.47
[Co₄S₄(PPrⁱ₃)₄]¹⁺ ^f	2.206(1)	2.607(1)	2.10	5.06	8.44
[Co₄S₄(Prⁱ₂NHCMe₂)₄]¹⁺ ^g	2.22[1]	2.66[2]	2.22	5.06	8.77

Mean values.

Volume calculations: ref. 43; Shannon tetrahedral crystal radii (A): Fe^II 0.77, Co^II 0.72.

130 K.

105 K.

Ref. 13, 193 K.

193 K.

100 K.