Table 1.
Distances of H-2 and C-2 to the nearest-neighbor Au atoms and the corresponding C–H–Au angles in the crystal structures of 1·(PF6)2 and 2·(NO3)2
| Cluster | Distances (Å) | C–H–Au | |
|---|---|---|---|
| Au–Ha | Au–C | Angle (°)a | |
| 1·(PF6)2 | 2.65 (2.777) | 3.699 | 163.0 (163.79) |
| 2.60 (2.723) | 3.641 | 162.0 (162.82) | |
| 2.62 (2.748) | 3.692 | 171.0 (171.46) | |
| 2.60 (2.722) | 3.652 | 165.8 (166.43) | |
| Ave. | 2.62 (2.743) | 3.671 | 165.4 (166.13) |
| 2·(NO3)2 | 2.71 (2.821)b | 3.810 | 176.8 (175.83) |
| 2.80 (2.914)b | 3.900 | 175.1 (173.67) | |
| 2.74 (2.853)b | 3.839 | 175.8 (174.54) | |
| 2.87 (2.978)b | 3.967 | 178.0 (177.43) | |
| Ave. | 2.78 (2.892)b | 3.879 | 176.4 (175.37) |
| van der Waals contacts | 2.86c | 3.94-3.96c | 180 |
aCorrected distances and angles by using standard C–H bond lengths (1.08 (C(sp 2)-H) and 1.10 Å (C(sp 3)-H)). Observed distances in the X-ray crystal structures are shown in parentheses
bFor one of the two CH2 hydrogen atoms with shorter distances
cEstimated based upon standard van der Waals radii (H, 1.20 Å; C, 1.70 Å; Au, 1.66 Å) and C–H bond lengths with the assumption of linear arrangement of C, H, and Au atoms