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. 2008 Jul 26;64(Pt 8):o1609. doi: 10.1107/S1600536808022526
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)] = 0.046 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.133   w = 1/[σ2(Fo2) + (0.06P)2 + 0.774P] where P = (Fo2 + 2Fc2)/3
S = 0.96 (Δ/σ)max < 0.001
3286 reflections Δρmax = 0.21 e Å3
185 parameters Δρmin = −0.22 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none