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. 2010 Apr 10;66(Pt 5):m492. doi: 10.1107/S1600536810012274
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)] = 0.025 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.102 H atoms treated by a mixture of independent and constrained refinement
S = 1.00 w = 1/[σ2(Fo2) + (0.084P)2] where P = (Fo2 + 2Fc2)/3
1687 reflections (Δ/σ)max = 0.001
86 parameters Δρmax = 0.42 e Å3
2 restraints Δρmin = −0.60 e Å3