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. 2012 May 26;68(Pt 6):m811. doi: 10.1107/S1600536812022738
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) = 0.100 H-atom parameters constrained
S = 0.95 w = 1/[σ2(Fo2) + (0.0423P)2] where P = (Fo2 + 2Fc2)/3
4014 reflections (Δ/σ)max < 0.001
174 parameters Δρmax = 0.40 e Å3
0 restraints Δρmin = −0.67 e Å3