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. 2008 Mar 14;64(Pt 4):m559. doi: 10.1107/S1600536808006934
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)] = 0.049 H-atom parameters constrained
wR(F2) = 0.124   w = 1/[σ2(Fo2) + (0.06P)2 + 1.99P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
2164 reflections Δρmax = 0.38 e Å3
156 parameters Δρmin = −0.43 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none