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. 2015 Jun 6;71(Pt 7):o453–o454. doi: 10.1107/S2056989015010543
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)] = 0.052 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.149 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0714P)2 + 2.3987P] where P = (Fo2 + 2Fc2)/3
3642 reflections (Δ/σ)max < 0.001
247 parameters Δρmax = 1.15 e Å3
0 restraints Δρmin = −0.59 e Å3