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. 2020 Jun 9;76(Pt 7):1057–1061. doi: 10.1107/S2056989020007483
Refinement on F2 Primary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.062 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.117 w = 1/[σ2(Fo2) + (0.0283P)2 + 0.4689P] where P = (Fo2 + 2Fc2)/3
S = 1.10 (Δ/σ)max < 0.001
4670 reflections Δρmax = 0.19 e Å3
327 parameters Δρmin = −0.18 e Å3
3 restraints