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. 2011 May 20;67(Pt 6):o1474. doi: 10.1107/S1600536811018551
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) = 0.091 H-atom parameters constrained
S = 0.89 w = 1/[σ2(Fo2) + (0.0547P)2] where P = (Fo2 + 2Fc2)/3
2807 reflections (Δ/σ)max = 0.001
115 parameters Δρmax = 0.39 e Å−3
0 restraints Δρmin = −0.16 e Å−3