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. Author manuscript; available in PMC: 2015 Jun 30.
Published in final edited form as: Inorg Chem. 2004 Nov 29;43(24):7682–7690. doi: 10.1021/ic0491884

Table 2.

Selected Geometrical Parameters for the Cations of [FeII(SMe2N4(tren))](PF6) (1), [FeIII(SMe2N4(tren))]2(μ-O)(PF6)2•MeCN (3), [FeIII(SMe2N4(tren))(MeCN)](BPh4)2•MeCN (4), and [FeII(SMe2N4(tren-Et4))](PF6)(5)a

1 3 4 5
Fe(1)–S(1) 2.3281(9) 2.317(4) 2.146(1) 2.3171(9)
Fe(1)–N(1) 2.091(3) 2.186(10) 1.912(2) 2.104(3)
Fe(1)–N(2) 2.268(3) 2.239(10) 2.026(2) 2.227(3)
Fe(1)–N(3) 2.131(3) 2.208(10) 2.002(2) 2.219(3)
Fe(1)–N(4) 2.117(3) 2.173(10) 2.018(2) 2.220(3)
Fe(1)–O(1) N/A 1.807(8) N/A N/A
S(1)–Fe(1)–N(2) 163.02(7) 154.5(4) 171.96(6) 161.53(7)
S(1)–Fe(1)–N(1) 84.02(8) 80.4(3) 86.59(6) 83.41(7)
N(1)–Fe(1)–X N/A 178.6(4) 177.31(8) N/A
Fe(1)–O(1)–Fe(2) N/A 155.3(5) N/A N/A
a

Bond lengths and bond angles are given in Å and deg, respectively.