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. 2009 Jan 14;65(Pt 2):o295. doi: 10.1107/S160053680900110X
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)] = 0.058 H-atom parameters constrained
wR(F2) = 0.162 w = 1/[σ2(Fo2) + (0.0877P)2 + 0.001P] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max < 0.001
3169 reflections Δρmax = 0.32 e Å3
460 parameters Δρmin = −0.21 e Å3
0 restraints Absolute structure: nd
Primary atom site location: structure-invariant direct methods