All deviations from expected values (1.514 and 1.634) are within 3 e.s.u.s
that are around 0.03 A in average. Further improvements seem possible, but
it will require more time and efforts.
So, one more example of underestimated information capacity of powder data
and overestimated necessity of restraints.
What information capacity ? The fact is that imposing the expected values
you obtain a similar fit. This tells you that you cannot discuss your
unrestrained "information", because it is unreliable.
Information is something you may discuss reliably. The only possible
discussion about P3-O14 = 1.72(3)A is to say that it is very probably
strongly overestimated.
Such are powder results for complex cases.
Sure, the restrained distances cannot be discussed as well. At least they
are not completely extravagant.
Best
Armel
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