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. 2011 Apr 16;67(Pt 5):m606. doi: 10.1107/S1600536811013353
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)] = 0.044 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.106 H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0328P)2 + 11.176P] where P = (Fo2 + 2Fc2)/3
5325 reflections (Δ/σ)max = 0.020
395 parameters Δρmax = 0.45 e Å3
2 restraints Δρmin = −0.30 e Å3