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. 2008 Jan 30;64(Pt 2):o534. doi: 10.1107/S160053680800264X
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.029   w = 1/[σ2(Fo2) + (0.0405P)2 + 0.1246P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.073 (Δ/σ)max < 0.001
S = 1.05 Δρmax = 0.24 e Å3
1948 reflections Δρmin = −0.16 e Å3
154 parameters Extinction correction: none
1 restraint Absolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methods Flack parameter: −0.01 (8)
Secondary atom site location: difference Fourier map