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. 2018 Nov 9;74(Pt 12):1746–1750. doi: 10.1107/S2056989018015219
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)] = 0.039 Hydrogen site location: difference Fourier map
wR(F2) = 0.113 All H-atom parameters refined
S = 1.09 w = 1/[σ2(Fo2) + (0.0731P)2 + 0.248P] where P = (Fo2 + 2Fc2)/3
4912 reflections (Δ/σ)max < 0.001
324 parameters Δρmax = 0.47 e Å3
0 restraints Δρmin = −0.18 e Å3