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. 2011 Apr 29;67(Pt 5):o1262–o1263. doi: 10.1107/S1600536811015455
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)] = 0.061 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.151 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.P)2 + 1.2828P] where P = (Fo2 + 2Fc2)/3
3413 reflections (Δ/σ)max < 0.001
233 parameters Δρmax = 0.16 e Å3
2 restraints Δρmin = −0.18 e Å3