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. 2008 Dec 24;65(Pt 1):o202. doi: 10.1107/S1600536808043341
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)] = 0.044 H-atom parameters constrained
wR(F2) = 0.112 w = 1/[σ2(Fo2) + (0.0474P)2 + 0.2952P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
4774 reflections Δρmax = 0.31 e Å3
373 parameters Δρmin = −0.23 e Å3
1 restraint Absolute structure: Flack (1983), 2053 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.00 (12)