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. 2013 May 4;69(Pt 6):i33. doi: 10.1107/S1600536813011847
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: inferred from neighbouring sites
wR(F2) = 0.082 H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0291P)2 + 7.0058P] where P = (Fo2 + 2Fc2)/3
5125 reflections (Δ/σ)max = 0.001
155 parameters Δρmax = 2.17 e Å3
0 restraints Δρmin = −1.21 e Å3