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. 2018 Nov 6;74(Pt 12):1710–1716. doi: 10.1107/S2056989018015207
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038 Hydrogen site location: mixed
wR(F2) = 0.097 H atoms treated by a mixture of independent and constrained refinement
S = 1.05 w = 1/[σ2(Fo2) + (0.0372P)2 + 0.8005P] where P = (Fo2 + 2Fc2)/3
2719 reflections (Δ/σ)max = 0.001
203 parameters Δρmax = 0.28 e Å3
2 restraints Δρmin = −0.32 e Å3