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. 2009 Sep 5;65(Pt 10):o2330. doi: 10.1107/S1600536809033418
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)] = 0.038 Hydrogen site location: difference Fourier map
wR(F2) = 0.095 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0482P)2 + 0.0898P] where P = (Fo2 + 2Fc2)/3
1678 reflections (Δ/σ)max = 0.001
186 parameters Δρmax = 0.20 e Å3
1 restraint Δρmin = −0.11 e Å3