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. 2021 Jun 17;11(35):21514–21526. doi: 10.1039/d1ra03135j

Selected bond lengths [Å] and bond angles [°] for 2 and 5.

2 5
Bond lengths/Å
Fe(1)–N(1) 2.138(3) Fe(1)–N(1) 2.099(4)
Fe(1)–N(2) 2.219(3) Fe(1)–N(3) 2.367(4)
Fe(1)–N(3) 2.129(4) Fe(1)–N(4) 2.095(4)
Fe(1)–N(4) 2.369(4) Fe(1)–N(6) 2.277(4)
Fe(1)–O(1) 1.7959(6) Fe(1)–O(1) 1.791(4)
Fe(1)–Cl(1) 2.2996(11) Fe(1)–Cl(2) 2.4108(15)
Fe(2)–N(7) 2.118(5)
Fe(2)–N(9) 2.335(4)
Fe(2)–N(10) 2.109(4)
Fe(2)–N(12) 2.266(5)
Fe(2)–O(1) 1.778(3)
Fe(2)–Cl(2) 2.3871(15)
Bond angles/°
N(1)–Fe(1)–N(2) 77.13(13) O(1)–Fe(1)–N(4) 107.04(16)
N(1)–Fe(1)–N(3) 154.13(14) O(1)–Fe(1)–N(1) 104.37(17)
N(1)–Fe(1)–N(4) 86.66(15) N(4)–Fe(1)–N(1) 148.57(17)
N(2)–Fe(1)–N(3) 77.00(13) O(1)–Fe(1)–N(6) 95.06(17)
N(2)–Fe(1)–N(4) 77.98(13) N(4)–Fe(1)–N(6) 88.78(17)
N(3)–Fe(1)–N(4) 88.27(15) N(1)–Fe(1)–N(6) 87.47(17)
O(1)–Fe(1)–N(1) 89.90(9) O(1)–Fe(1)–N(3) 172.24(17)
O(1)–Fe(1)–N(2) 93.93(9) N(4)–Fe(1)–N(3) 73.92(15)
O(1)–Fe(1)–N(3) 91.58(10) N(1)–Fe(1)–N(3) 74.82(16)
O(1)–Fe(1)–N(4) 171.73(10) N(6)–Fe(1)–N(3) 77.22(16)
Cl(1)–Fe(1)–O(1) 100.87(4) O(1)–Fe(1)–Cl(1) 99.78(13)
Cl(1)–Fe(1)–N(1) 101.77(10) N(4)–Fe(1)–Cl(1) 87.58(13)
Cl(1)–Fe(1)–N(2) 165.17(10) N(1)–Fe(1)–Cl(1) 88.14(13)
Cl(1)–Fe(1)–N(3) 103.29(10) N(6)–Fe(1)–Cl(1) 165.15(13)
Cl(1)–Fe(1)–N(4) 87.20(10) N(3)–Fe(1)–Cl(1) 87.93(12)
Fe(1)–O(1)–Fe(1_a) 180.00 O(1)–Fe(2)–N(7) 104.49(19)
O(1)–Fe(2)–N(10) 106.50(17)
N(7)–Fe(2)–N(10) 148.97(19)
O(1)–Fe(2)–N(12) 94.76(18)
N(7)–Fe(2)–N(12) 91.2(2)
N(10)–Fe(2)–N(12) 84.8(2)
O(1)–Fe(2)–N(9) 173.48(16)
N(7)–Fe(2)–N(9) 73.88(19)
N(10)–Fe(2)–N(9) 75.15(16)
N(12)–Fe(2)–N(9) 79.04(17)
O(1)–Fe(2)–Cl(2) 99.52(13)
N(7)–Fe(2)–Cl(2) 90.24(15)
N(10)–Fe(2)–Cl(2) 86.17(14)
N(12)–Fe(2)–Cl(2) 164.80(15)
N(9)–Fe(2)–Cl(2) 86.84(12)
Fe(2)–O(1)–Fe(1) 161.1(2)