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. 2008 Oct 22;64(Pt 11):o2167. doi: 10.1107/S1600536808033540
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)] = 0.049 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.136 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0696P)2 + 0.3732P] where P = (Fo2 + 2Fc2)/3
2853 reflections (Δ/σ)max < 0.001
187 parameters Δρmax = 0.24 e Å3
6 restraints Δρmin = −0.26 e Å3