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. 2009 Nov 25;65(Pt 12):o3189. doi: 10.1107/S1600536809049538
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)] = 0.058 Hydrogen site location: difference Fourier map
wR(F2) = 0.118 All H-atom parameters refined
S = 1.15 w = 1/[σ2(Fo2) + (0.0271P)2 + 1.1206P] where P = (Fo2 + 2Fc2)/3
1761 reflections (Δ/σ)max = 0.002
154 parameters Δρmax = 0.22 e Å3
0 restraints Δρmin = −0.28 e Å3