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. 2017 Jan 27;73(Pt 2):254–259. doi: 10.1107/S2056989017001177
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)] = 0.049 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.128 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0544P)2 + 0.8101P] where P = (Fo2 + 2Fc2)/3
4852 reflections (Δ/σ)max < 0.001
316 parameters Δρmax = 0.29 e Å3
0 restraints Δρmin = −0.32 e Å3