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. 2010 Apr 24;66(Pt 5):m572. doi: 10.1107/S1600536810014662
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.057 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.189 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0911P)2 + 4.703P] where P = (Fo2 + 2Fc2)/3
4391 reflections (Δ/σ)max = 0.001
314 parameters Δρmax = 1.19 e Å3
78 restraints Δρmin = −1.14 e Å3