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. 2015 Aug 6;71(Pt 9):o637–o638. doi: 10.1107/S2056989015014322
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)] = 0.042 H-atom parameters constrained
wR(F2) = 0.116 w = 1/[σ2(Fo2) + (0.0687P)2 + 1.4377P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
4153 reflections Δρmax = 0.35 e Å3
343 parameters Δρmin = −0.47 e Å3
1 restraint Absolute structure: Flack (1983), 1709 (76%) Friedel pairs
Primary atom site location: structure-invariant direct methods Absolute structure parameter: −0.01 (8)