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. 2011 Oct 29;67(Pt 11):m1629–m1630. doi: 10.1107/S1600536811044229
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)] = 0.028 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.074 H-atom parameters constrained
S = 1.15 w = 1/[σ2(Fo2) + (0.0416P)2 + 3.5159P] where P = (Fo2 + 2Fc2)/3
7089 reflections (Δ/σ)max = 0.001
442 parameters Δρmax = 2.40 e Å3
0 restraints Δρmin = −1.35 e Å3