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. 2008 Nov 29;64(Pt 12):o2490–o2491. doi: 10.1107/S160053680803938X
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.059 H-atom parameters constrained
wR(F2) = 0.155   w = 1/[σ2(Fo2) + (0.0655P)2 + 0.1818P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
5302 reflections Δρmax = 0.20 e Å3
298 parameters Δρmin = −0.23 e Å3
88 constraints Extinction correction: none
Primary atom site location: structure-invariant direct methods