Table 1.
Crystal and Refinement Data for Complexes 3 and 9.
| 3 | 9 | |
|---|---|---|
| Empirical formula | PdPC26H29 | PdO2N2C38H54Cl4 |
| Formula weight | 478.89 | 819.07 |
| Temperature (K) | 223 | 223 |
| a (Å) | 9.3455(4) | 18.6604(18) |
| b (Å) | 9.9853(5) | 12.5634(12) |
| c (Å) | 13.9430(7) | 17.8121(17) |
| α (deg) | 72.6291(12) | 90 |
| β(deg) | 83.6782(13) | 98.961(2) |
| γ(deg) | 70.4556(12) | 90 |
| Volume (Å3) | 1170.17(10) | 4124.9(7) |
| Z | 2 | 4 |
| Crystal system | Triclinic | Monoclinic |
| Space group | P-1 (#2) | P21/c (#14) |
| dcalc (mg/m3) | 1.359 | 1.319 |
| θrange (deg) | 3.1 to 27.5 | 3.1 to 27.5 |
| μ(mm−1) | 0.870 | 0.741 |
| Abs. correction | Semi-empirical from equivalents | Semi-empirical from equivalents |
| GOF | 1.051 | 1.043 |
| R1,a WR2b [I>2σ(I)] | 0.0412, 0.0869 | 0.0648, 0.1435 |
a
R1 = Σ||FO| -|FC||/Σ|FO|.
b
wR2 = [Σ[W(FO2 – FC2)2]/Σ[w(FO2)2]1/2.