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. 2008 Dec 13;65(Pt 1):m51. doi: 10.1107/S1600536808040725
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.033 Hydrogen site location: difference Fourier map
wR(F2) = 0.078 All H-atom parameters refined
S = 1.11 w = 1/[σ2(Fo2) + (0.0317P)2 + 1.4344P] where P = (Fo2 + 2Fc2)/3
3939 reflections (Δ/σ)max = 0.001
290 parameters Δρmax = 0.89 e Å3
0 restraints Δρmin = −0.43 e Å3