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. 2023 Jun 28;145(27):14839–14855. doi: 10.1021/jacs.3c03753

Table 1. Selected Distances (Å) and Angles (°) for Compounds 410, 1215, and 17a.

compound C(Cp)–Ub C(Cp)–Uc Cp(cent)–Ub U–X Cp(cent)–U–Cp(cent) X–U–X/Y
4 2.809(6) 2.745(6) to 2.864(6) 2.533(6) N(1) 2.021(5), N(2) 2.426(6) 130.8(2) 93.2(2)
5 2.836(3) 2.741(3) to 2.945(3) 2.564(3) O(1) 1.873(2), N(1) 2.526(3) 128.2(1) 87.2(1)
6 2.788(7) 2.741(6) to 2.824(6) 2.511(6) S(1) 2.437(1), N(1) 2.509(5) 134.0(2) 95.9(1)
7 2.784(4) 2.741(5) to 2.827(5) 2.505(5) Se(1) 2.583(1), N(1) 2.507(4) 135.2(2) 96.5(1)
8 2.758(4) 2.714(4) to 2.803(4) 2.476(4) O(1) 2.071(3), Cl(1) 2.820(1) 129.2(1) 91.8(1)
9 2.776(6) 2.727(6) to 2.823(5) 2.493(3) O(1) 2.077(3), I(1) 2.963(1) 128.3(2) 93.3(1)
10 2.757(4) 2.698(3) to 2.807(4) 2.474(3) O(1) 2.067(2), N(1) 2.525(4) 130.1(1) 92.3(1)
12 2.816(5) 2.745(5) to 2.905(5) 2.541(5) O(1) 2.114(4), O(2) 2.109(3) 125.2(2) 91.7(1)
13 2.770(13) 2.737(13) to 2.803(12) 2.496(12) O(1) 2.214(9), S(1) 2.748(3) N(2) 2.530(10) 127.9(3) 61.2(2)d
14 2.737(5) 2.683(4) to 2.783(5) 2.453(4) S(1) 2.608(2), I(1) 2.944(1) 130.3(2) 100.2(1)
15 2.769(7) 2.722(7) to 2.833(7) 2.489(6) S(1) 2.755(1), S(2) 2.724(1) N(2) 2.565(5) 131.0(2) 65.1(1)e
17 2.784(7) 2.684(7) to 2.892(7) 2.506(7) U(1) Se(1) 2.763(1), Se(2) 2.758(1) U(2) Se(1) 2.761(1), Se(2) 2.758(1) 119.5(2) 79.7(1)
a

Cp = cyclopentadienyl ring.

b

Average value.

c

Range.

d

The angle of O(1)-U(1)-S (1).

e

The angle of S(1)-U(1)-S(2).