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. 2007 Dec 6;64(Pt 1):o63. doi: 10.1107/S1600536807049860
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)] = 0.059 H-atom parameters constrained
wR(F2) = 0.112   w = 1/[σ2(Fo2) + (0.001P)2 + 0.8P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
2639 reflections Δρmax = 0.16 e Å3
307 parameters Δρmin = −0.18 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none