Table 1. Selected X-ray Crystallographic Data for the Samples Analyzed.
| sample | Re[TpFPC](NPh) | Re[TpCF3PC](NPh) |
|---|---|---|
| chemical formula | C43 H25 F3 N5 Re | C55 H34 F9 N5 Re |
| formula mass | 854.88 | 1122.07 |
| crystal system | orthorhombic | triclinic |
| crystal size (mm3) | 0.120 × 0.030 × 0.020 | 0.200 × 0.150 × 0.040 |
| space group | Pbca | P1 |
| λ (Å) | 0.7288 | 0.7288 |
| a (Å) | 8.6866(3) | 8.6386(5) |
| b (Å) | 24.1076(8) | 16.7410(10) |
| c (Å) | 31.9039(10) | 16.7461(10) |
| α (deg) | 90 | 78.638(2) |
| β (deg) | 90 | 75.218(2) |
| γ (deg) | 90 | 77.206(2) |
| Z | 8 | 2 |
| V (Å3) | 6681.1(4) | 2258.0(2) |
| temperature (K) | 100(2) | 100(2) |
| density (g/cm3) | 1.700 | 1.650 |
| measured reflections | 203004 | 87509 |
| unique reflections | 8327 | 11336 |
| parameters | 469 | 660 |
| restraints | 0 | 36 |
| Rint | 0.0342 | 0.0405 |
| θ range (deg.) | 1.852–29.116 | 1.969–29.151 |
| R1, wR2 all data | 0.0287, 0.0756 | 0.0240, 0.0634 |
| S (GooF) all data | 1.041 | 1.057 |
| max/min res. dens. (e/Å3) | 2.582/–1.215 | 1.377/–1.729 |