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. Author manuscript; available in PMC: 2021 May 3.
Published in final edited form as: J Am Chem Soc. 2017 Sep 26;139(40):14302–14314. doi: 10.1021/jacs.7b08640

Table 1.

Selected interatomic distances (Å) and angles (°) from the crystal structures shown in Figure 2. Atom X represents the axial atom, either O4 or N3.

Complex
9-NO3 10-BF4 11 13
Re–N1 2.178(4) 2.182(2) 2.180(3) 2.210(3)
Re–N2 2.178(4) 2.180(2) 2.175(3) 2.200(3)
Re–X 2.154(4) 2.149(2) 2.191(2) 2.196(2)
Re–C1 1.899(6) 1.917(3) 1.896(3) 1.896(4)
Re–C2 1.915(6) 1.927(3) 1.921(4) 1.929(4)
Re–C3 1.916(6) 1.929(3) 1.924(4) 1.928(4)
C1–O1 1.163(7) 1.147(3) 1.149(4) 1.147(5)
C2–O2 1.157(7) 1.145(3) 1.154(4) 1.150(4)
C3–O3 1.152(7) 1.144(3) 1.150(4) 1.148(5)
N1–Re–N2 74.60(15) 74.42(7) 75.68(9) 76.18(9)
N1–Re–X 87.73(14) 82.77(8) 79.09(9) 77.99(9)
N1–Re–C1 93.68(19) 94.18(9) 92.69(12) 98.36(15)
N1–Re–C2 99.00(2) 99.72(11) 98.09(13) 100.72(13)
C2–Re–C3 89.0(2) 87.77(13) 89.02(16) 82.84(17)