A solution and solid state study of niobium complexes University of ...

Appendix A
Table 3.3: Bond angles (°) for [NbCl 2(phacac)(OMe)2] and [NbCl(phacac)(OMe)3].
Bond Angle
O(3)-Nb(1)-O(4) 92.7(8)
O(3)-Nb(1)-O(5) 92.5(7)
O(4)-Nb(1)-O(5) 101.22(17)
O(3)-Nb(1)-O(2) 88.8(8)
O(4)-Nb(1)-O(2) 92.76(16)
O(5)-Nb(1)-O(2) 165.87(15)
O(3)-Nb(1)-O(1) 94.3(8)
O(4)-Nb(1)-O(1) 170.27(17)
O(5)-Nb(1)-O(1) 85.23(15)
O(2)-Nb(1)-O(1) 80.65(13)
O(3)-Nb(1)-Cl(2) 10.9(9)
O(4)-Nb(1)-Cl(2) 101.4(2)
O(5)-Nb(1)-Cl(2) 96.95(19)
O(2)-Nb(1)-Cl(2) 82.12(16)
O(1)-Nb(1)-Cl(2) 84.83(16)
O(3)-Nb(1)-Cl(1) 173.1(8)
O(4)-Nb(1)-Cl(1) 87.83(17)
O(5)-Nb(1)-Cl(1) 94.10(14)
O(2)-Nb(1)-Cl(1) 84.29(12)
O(1)-Nb(1)-Cl(1) 84.42(12)
Cl(2)-Nb(1)-Cl(1) 163.87(11)
C(5)-O(3)-Nb(1) 133(2)
O(3)-C(5)-H(5A) 109.5
O(3)-C(5)-H(5C) 109.5
H(5A)-C(5)-H(5C) 109.5
O(3)-C(5)-H(5B) 109.5
H(5A)-C(5)-H(5B) 109.5
H(5C)-C(5)-H(5B) 109.5
C(3)-O(2)-Nb(1) 133.9(3)
C(1)-O(1)-Nb(1) 134.6(3)
C(7)-O(5)-Nb(1) 148.7(4)
C(6)-O(4)-Nb(1) 152.8(5)
C(13)-C(14)-C(15) 120.1(4)
C(13)-C(14)-H(14) 119.9
C(15)-C(14)-H(14) 119.9
C(13)-C(12)-C(11) 120.6(5)
C(13)-C(12)-H(12) 119.7
C(11)-C(12)-H(12) 119.7
C(12)-C(11)-C(16) 118.6(4)
C(12)-C(11)-C(1) 119.1(4)
C(16)-C(11)-C(1) 122.2(4)
C(14)-C(15)-C(16) 120.0(5)
C(14)-C(15)-H(15) 120
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