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. 2014 Jun 14;70(Pt 7):o782. doi: 10.1107/S1600536814013518
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)] = 0.037 Hydrogen site location: mixed
wR(F2) = 0.096 H atoms treated by a mixture of independent and constrained refinement
S = 1.09 w = 1/[σ2(Fo2) + (0.0425P)2 + 0.2042P] where P = (Fo2 + 2Fc2)/3
2275 reflections (Δ/σ)max < 0.001
137 parameters Δρmax = 0.36 e Å3
0 restraints Δρmin = −0.37 e Å3