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. 2009 Jul 11;65(Pt 8):o1822. doi: 10.1107/S1600536809025987
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)] = 0.046 H-atom parameters constrained
wR(F2) = 0.086 w = 1/[σ2(Fo2) + (0.0055P)2] where P = (Fo2 + 2Fc2)/3
S = 0.94 (Δ/σ)max = 0.001
12754 reflections Δρmax = 0.61 e Å3
680 parameters Δρmin = −0.52 e Å3
1 restraint Absolute structure: Flack (1983), 6028 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.001 (7)