Table 2. Comparison of Selected Bond Lengths (Å), Angles (°), and Other Pertinent Structural Metrics of Pn*3Ti3(μ2-H)3(μ3-H) with [{(Me2Si)2(η5-C5H3)2}Zr]3H5.
| Pn*3Ti3(μ2-H)3(μ3-H) | [{(Me2Si)2(η5-C5H3)2}Zr]3H525 | |
|---|---|---|
| fold angle | 33.43(10) | - |
| 32.27(9) | ||
| 32.27(9) | ||
| M–Pn*cent/Cpcent | 1.9810(10) | 2.2648(10) |
| M–H1 | 1.78(3) | 1.963(19) |
| M–H2 | 1.84(3) | 2.16(2) |
| M–H3 | 1.84(3) | 1.94(2) |
| M–H4 | 1.995(16) | 1.94(2) |
| M–H5 | 2.16(2) | |
| H4–planeH1/3/4 | 1.17(2) | 0.93(2) |
| H5–planeH1/3/4 | 0.93(2) | |
| puckering: Σ|ϕ|a | 82(6) | 28.4(11) |
| circumferenceb | 10.91(24) | 11.67(12) |
| M–Mc | 2.9454(9) | 3.2939(10) |
a
Puckering, given in degrees, is the sum of the magnitude of the dihedral angles around the perimeter of the metal-hydride core. For a planar structure, this value is 0°.
b
The circumference refers to the sum of the bond lengths around the perimeter of the metal-hydride core.
c
M–M given as an average of three values.