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. 2021 Sep 7;77(Pt 10):994–998. doi: 10.1107/S2056989021009154
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)] = 0.040 H-atom parameters constrained
wR(F2) = 0.110 w = 1/[σ2(Fo2) + (0.0535P)2 + 0.5596P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
3712 reflections Δρmax = 0.34 e Å3
211 parameters Δρmin = −0.36 e Å3
0 restraints Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: difference Fourier map Extinction coefficient: 0.0082 (8)