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. 2008 Mar 5;64(Pt 4):m514–m515. doi: 10.1107/S1600536808004236
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.037 H-atom parameters constrained
wR(F2) = 0.086   w = 1/[σ2(Fo2) + (0.044P)2] where P = (Fo2 + 2Fc2)/3
S = 0.94 (Δ/σ)max = 0.001
3613 reflections Δρmax = 0.19 e Å3
253 parameters Δρmin = −0.29 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none