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. 2008 Jan 18;64(Pt 2):o471. doi: 10.1107/S160053680800130X
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.044 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.130   w = 1/[σ2(Fo2) + (0.0773P)2 + 0.1729P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
3094 reflections Δρmax = 0.21 e Å3
196 parameters Δρmin = −0.29 e Å3
1 restraint Extinction correction: none
Primary atom site location: structure-invariant direct methods