Table 3. Selected Distances and Angles for 1S and 1Se (in Å and deg).
| parametera | 1S (E = S)c | 1Se (E = Se) |
|---|---|---|
| Sb–C1 | 2.125(3) | 2.130(2) |
| Sb–C23/C29 | 2.160(4)/2.146(4) | 2.156(2)/2.165(2) |
| C–Sb–Cb | 94.9(2)–97.2(2) | 94.06(7)–96.74(7) |
| P=E | 1.954(2) | 2.1034(7) |
| P–C6 | 1.796(4) | 1.784(2) |
| P–C11/C17 | 1.816(4)/1.806(4) | 1.810(2)/1.811(2) |
| C–P–Cb | 104.9(2)–106.8(2) | 104.72(8)–107.25(8) |
| Fe–C | 2.036(4)–2.060(4) | 2.034(2)–2.059(2) |
| tilt | 2.0(2) | 1.2(1) |
| τ | 169.0(3) | –161.4(1) |
a
Fe–C is the range of the Fe–C(1–10) bond lengths, tilt stands for the dihedral angle of the least-squares cyclopentadienyl planes C(1–5) and C(6–10), and τ denotes the torsion angle C1–Cg1–Cg2–C6, where Cg1 and Cg2 are the centroids of the respective cyclopentadienyl rings.
b
The range of the C1–Sb–C23/29 and C23–Sb–C29 angles.
c
Data for the major orientation.