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. 2011 Apr 29;67(Pt 5):o1224. doi: 10.1107/S1600536811014735
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)] = 0.038 Hydrogen site location: difference Fourier map
wR(F2) = 0.111 All H-atom parameters refined
S = 1.05 w = 1/[σ2(Fo2) + (0.0581P)2 + 0.1118P] where P = (Fo2 + 2Fc2)/3
8640 reflections (Δ/σ)max = 0.001
272 parameters Δρmax = 0.61 e Å3
0 restraints Δρmin = −0.51 e Å3