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. 2008 Feb 6;64(Pt 3):o556. doi: 10.1107/S1600536808003401
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)] = 0.045 H-atom parameters constrained
wR(F2) = 0.121   w = 1/[σ2(Fo2) + (0.0512P)2 + 1.8936P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
1948 reflections Δρmax = 0.55 e Å3
164 parameters Δρmin = −0.36 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none