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. 2010 Mar 3;66(Pt 4):m359. doi: 10.1107/S1600536810007336
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)] = 0.067 H-atom parameters constrained
wR(F2) = 0.182 w = 1/[σ2(Fo2) + (0.1528P)2] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
3600 reflections Δρmax = 1.05 e Å3
336 parameters Δρmin = −0.88 e Å3
2 restraints Absolute structure: Flack (1983), 1156 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.00 (2)