Table 2.
Fitting: URO | ||||||||
---|---|---|---|---|---|---|---|---|
α | β | γ | X | Y | Z | Cf | Rf | Fm |
74.7 | 91.7 | 90.3 | −0.0079 | −0.0193 | 0.0175 | 91.8 | 29.7 | 8.0 |
α, β, and γ represent the Euler angles of the model; X, Y, and Z are the fractionary translations of the model; Cf is the correlation between the observed and calculated structure factors (× 100); Rf is the crystallographic R factor (× 100); and Fm is the value of the optimized function (quadratic misfit) (Navaza et al., 2002).