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. 2011 Jan 29;67(Pt 2):o515–o516. doi: 10.1107/S1600536810053572
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)] = 0.040 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.141 H-atom parameters constrained
S = 1.11 w = 1/[σ2(Fo2) + (0.0825P)2 + 0.5425P] where P = (Fo2 + 2Fc2)/3
7670 reflections (Δ/σ)max = 0.001
273 parameters Δρmax = 0.54 e Å3
0 restraints Δρmin = −0.60 e Å3