Table 1. Selected Distances (Å) and Angles (°) for Compounds 4–10, 12–15, 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) |
Cp = cyclopentadienyl ring.
Average value.
Range.
The angle of O(1)-U(1)-S (1).
The angle of S(1)-U(1)-S(2).