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. 2014 Oct 30;33(22):6669–6681. doi: 10.1021/om500965k

Table 1. Selected Structural Parameters of Complex 3 Obtained from X-ray Single-Crystal Diffraction Studies (Bond Lengths in Å and Angles in deg).

Ti(1)–O(1) 1.962(10) Ti(1)–O(3) 1.957(10)
O(1)–C(2) 1.302(17) O(3)–C(4) 1.310(17)
O(2)–C(2) 1.169(17) O(4)–C(4) 1.188(17)
C(2)–C(1) 1.56(2) C(4)–C(3) 1.51(2)
Au(2)–P(2) 2.226(4) Au(1)–P(1) 2.222(4)
Au(2)–Cl(2) 2.279(4) Au(1)–Cl(1) 2.287(4)
Ti(1)–O(1) 1.962(10) Ti(1)–O(3) 1.957(10)
O(1)–C(2) 1.302(17) O(3)–C(4) 1.310(17)
O(2)–C(2) 1.169(17) O(4)–C(4) 1.188(17)
C(2)–C(1) 1.56(2) C(4)–C(3) 1.51(2)
Au(2)–P(2) 2.226(4) Au(1)–P(1) 2.222(4)
Au(2)–Cl(2) 2.279(4) Au(1)–Cl(1) 2.287(4)
average Ti(1)–C(21–25) 2.381(2) average C–C in Cp ring C(21)–C(25) 1.386(3)
average Ti(1)–C(11–15) 2.385(2) average C–C in Cp ring C(11)–C(15) 1.392(3)
distance Ti–Z (centroid of Cp) 2.069    
Ti(1)–O(3)–C(4) 141.0(9) C23–Ti1–C12 171.9(7)
O(1)–Ti(1)–O(3) 95.8(4) O(3)–C(4)–O(4) 123.0(13)
Ti(1)–O(1)–C(2) 137.2(9) O(4)–C(4)–C(3) 122.6(14)
C15–Ti1–C21 100.9(9) C(3)–C(4)–P(1) 111.5(11)
O(1)–C(2)–O(2) 126.5(15) P(2)–Au(2)–Cl(2) 173.71(19)
O(2)–C(2)–C(1) 122.1(14) P(1)–Au(1)–Cl(1) 173.15(17)
C(1)–C(2)–P(2) 112.8(11)