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. 2013 Jul 6;69(Pt 8):o1213. doi: 10.1107/S1600536813018400
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) = 0.103 H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0432P)2 + 0.3137P] where P = (Fo2 + 2Fc2)/3
3423 reflections (Δ/σ)max < 0.001
183 parameters Δρmax = 0.32 e Å3
0 restraints Δρmin = −0.28 e Å3