The XF firewall is different on the passenger side where the heater hoses enter the cabin as there were no V8 XF's made. Some rerouting of the hoses and a hammer are needed otherwise it's a bolt in fit.
4.1 as a tow engine will be fine as long as you put a decent transmission cooler in it as the Borg Warner auto will be the weak link. Some 6 cylinder XD's had a C4 if you want to replace it with a stronger transmission.
Early ones were only fitted to 3.3 at the factory because they were basically a Sigma box therefore they were at their limit behind a 3.3 and a 4.1 would have twisted them apart in quick time. They are a cast iron c