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. 2021 Oct 26;77(Pt 11):1144–1152. doi: 10.1107/S2056989021010896
Refinement on F2 Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.103 H atoms treated by a mixture of independent and constrained refinement
S = 1.07 w = 1/[σ2(Fo2) + (0.0589P)2 + 0.1388P] where P = (Fo2 + 2Fc2)/3
4544 reflections (Δ/σ)max = 0.001
225 parameters Δρmax = 0.44 e Å3
2 restraints Δρmin = −0.38 e Å3
Primary atom site location: structure-invariant direct methods