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. 2008 Nov 22;64(Pt 12):m1598. doi: 10.1107/S1600536808038415
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)] = 0.053 H-atom parameters constrained
wR(F2) = 0.152   w = 1/[σ2(Fo2) + (0.077P)2 + 1.1955P] where P = (Fo2 + 2Fc2)/3
S = 1.09 (Δ/σ)max = 0.003
3174 reflections Δρmax = 1.05 e Å3
129 parameters Δρmin = −2.89 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none