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. 2015 May 23;71(Pt 6):o417. doi: 10.1107/S205698901500938X
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)] = 0.036 Hydrogen site location: mixed
wR(F2) = 0.102 H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0581P)2 + 0.5187P] where P = (Fo2 + 2Fc2)/3
2683 reflections (Δ/σ)max = 0.002
173 parameters Δρmax = 0.36 e Å3
0 restraints Δρmin = −0.28 e Å3