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. 2010 Jul 7;66(Pt 8):m894. doi: 10.1107/S1600536810026000
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)] = 0.024 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.063 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0403P)2 + 0.2037P] where P = (Fo2 + 2Fc2)/3
3017 reflections (Δ/σ)max = 0.002
196 parameters Δρmax = 0.48 e Å3
6 restraints Δρmin = −1.05 e Å3
0 constraints