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. 2009 Apr 22;65(Pt 5):m557. doi: 10.1107/S160053680901438X
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)] = 0.039 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.099 H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0455P)2 + 0.4335P] where P = (Fo2 + 2Fc2)/3
3864 reflections (Δ/σ)max = 0.001
291 parameters Δρmax = 0.33 e Å3
54 restraints Δρmin = −0.35 e Å3