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. 2008 Jan 23;64(Pt 2):o494–o495. doi: 10.1107/S1600536808001025
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)] = 0.038 H-atom parameters constrained
wR(F2) = 0.116   w = 1/[σ2(Fo2) + (0.0759P)2 + 0.4937P] where P = (Fo2 + 2Fc2)/3
S = 0.97 (Δ/σ)max = 0.031
5139 reflections Δρmax = 0.31 e Å3
264 parameters Δρmin = −0.17 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none