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. 2010 Sep 11;66(Pt 10):m1248. doi: 10.1107/S1600536810035543
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) = 0.049 w = 1/[σ2(Fo2) + (0.P)2] where P = (Fo2 + 2Fc2)/3
S = 0.76 (Δ/σ)max < 0.001
1355 reflections Δρmax = 1.52 e Å3
84 parameters Δρmin = −0.68 e Å3
0 restraints Absolute structure: Flack (1983), 622 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: −0.034 (12)