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. 2008 Jun 19;64(Pt 7):o1294. doi: 10.1107/S1600536808018072
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.056 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.230   w = 1/[σ2(Fo2) + (0.12P)2] where P = (Fo2 + 2Fc2)/3
S = 1.09 (Δ/σ)max = 0.001
2686 reflections Δρmax = 0.45 e Å3
166 parameters Δρmin = −0.34 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none