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. 2008 Jan 4;64(Pt 2):o348. doi: 10.1107/S160053680706744X
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)] = 0.030 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.061   w = 1/[σ2(Fo2) + (0.0396P)2] where P = (Fo2 + 2Fc2)/3
S = 0.94 (Δ/σ)max < 0.001
1578 reflections Δρmax = 0.11 e Å3
143 parameters Δρmin = −0.11 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none