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. Author manuscript; available in PMC: 2011 Apr 5.
Published in final edited form as: Inorg Chem. 2010 Apr 5;49(7):3141–3151. doi: 10.1021/ic9017568

Table 2.

Selected Bond Distances (Å) and Bond Angles (°) of [Re(CO)3(DTGH)-NNO]PF6·H2O (5 PF6·H2O), [Re(CO)3(DTG)-NNN]·H2O (6·H2O), [Re(CO)3(UEDDAH)-NNO] (8), [Re(CO)3(DTMH)-NNO]·2H2O (9·2H2O) and [Re(CO)3(DTA)-NNN]·CH3OH (12·CH3OH)

5 PF6·H2O 6·H2O 8 9·2H2O 12·CH3OH
Re(1)–N(1) 2.191(8) 2.181(10) 2.242(4) 2.160(7) 2.230(4)
Re(1)–N(2) 2.237(8) 2.252(11) 2.203(5) 2.234(19) 2.235(4)
Re(1)–N(3) - 2.200(11) - - 2.221(4)
Re(1)–O(4) 2.150(6) - 2.151(4) 2.119(14) -
O(4)–Re(1)– C(1) 173.9(3) - 170.6(3) 174.1(8) -
O(4)–Re(1)– C(2) 96.1(4) - 96.79(17) 96.1(8) -
O(4)–Re(1)– C(3) 95.2(3) - 98.4(3) 96.7(11) -
O(4)–Re(1)– N(1) 80.9(3) - 76.2(3) 76.1(6) -
O(4)–Re(1)– N(2) 78.5(3) - 78.61(15) 83.0(8) -
N(1)–Re(1)– C(3) 173.0(3) 175.5(5) 173.9(2) 171.7(10) 89.77(17)
N(1)–Re(1)– C(1) 94.8(4) 92.0(5) 95.1(2) 98.0(9) 98.88(17)
N(1)–Re(1)– C(2) 94.6(4) 95.8(5) 98.3(2) 98.5(9) 174.21(18)
N(2)–Re(1)– C(2) 172.3(4) 167.4(5) 175.05(18) 178.2(8) 97.66(19)
N(2)–Re(1)– C(1) 96.5(4) 98.7(5) 96.5(2) 95.6(10) 172.94(17)
N(2)–Re(1)– C(3) 94.3(3) 98.4(5) 97.4(2) 95.4(9) 96.45(17)
N(3)–Re(1)– C(1) - 176.5(5) - - 96.18(17)
N(3)–Re(1)– C(2) - 90.4(5) - - 93.24(17)
N(3)–Re(1)– C(3) - 93.9(5) - - 173.81(16)
N(1)–Re(1)–N(2) 79.2(3) 77.1(4) 78.86(18) 79.8(7) 76.55(14)
N(1)–Re(1)–N(3) - 85.0(4) - - 85.89(14)
N(2)–Re(1)–N(3) - 78.7(4) - - 78.25(15)