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. 2017 Mar 3;73(Pt 4):467–471. doi: 10.1107/S2056989017003243
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)] = 0.050 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.155 H-atom parameters constrained
S = 0.96 w = 1/[σ2(Fo2) + (0.0646P)2 + 0.6656P] where P = (Fo2 + 2Fc2)/3
6858 reflections (Δ/σ)max = 0.001
361 parameters Δρmax = 0.42 e Å3
0 restraints Δρmin = −0.42 e Å3