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. 2020 Feb 18;76(Pt 3):404–409. doi: 10.1107/S2056989020002133
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)] = 0.049 H-atom parameters constrained
wR(F2) = 0.108 w = 1/[σ2(Fo2) + (0.0254P)2 + 0.254P] where P = (Fo2 + 2Fc2)/3
S = 1.12 (Δ/σ)max < 0.001
2741 reflections Δρmax = 0.13 e Å3
193 parameters Δρmin = −0.14 e Å3
0 restraints Extinction correction: (SHELXL2018/3; Sheldrick 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.026 (3)