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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)] = 0.042 Hydrogen site location: mixed
wR(F2) = 0.122 H atoms treated by a mixture of independent and constrained refinement
S = 1.13 w = 1/[σ2(Fo2) + (0.0733P)2 + 0.0819P] where P = (Fo2 + 2Fc2)/3
4404 reflections (Δ/σ)max < 0.001
222 parameters Δρmax = 0.44 e Å3
0 restraints Δρmin = −0.28 e Å3
Primary atom site location: structure-invariant direct methods