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. 2016 Mar 2;72(Pt 4):428–431. doi: 10.1107/S2056989016003248
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) = 0.152 H atoms treated by a mixture of independent and constrained refinement
S = 1.05 w = 1/[σ2(Fo2) + (0.1104P)2] where P = (Fo2 + 2Fc2)/3
2115 reflections (Δ/σ)max = 0.023
186 parameters Δρmax = 0.45 e Å3
0 restraints Δρmin = −0.47 e Å3