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. 2015 Apr 9;71(Pt 5):o289–o290. doi: 10.1107/S2056989015006623
Refinement on F2 H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.048 w = 1/[σ2(Fo2) + (0.0359P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.102 (Δ/σ)max < 0.001
S = 1.04 Δρmax = 0.25 e Å3
1400 reflections Δρmin = −0.23 e Å3
116 parameters Extinction correction: SHELXL
1 restraint Extinction coefficient: 0.039 (3)
Primary atom site location: structure-invariant direct methods Absolute structure: Flack (1983), 666 Friedel pairs
Secondary atom site location: difference Fourier map Absolute structure parameter: 0.1 (4)
Hydrogen site location: inferred from neighbouring sites