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. 2007 Dec 6;64(Pt 1):o117–o118. doi: 10.1107/S1600536807062599
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)] = 0.036 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.099   w = 1/[σ2(Fo2) + (0.0661P)2] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max < 0.001
2402 reflections Δρmax = 0.20 e Å3
220 parameters Δρmin = −0.27 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none