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. 2009 Jun 20;65(Pt 7):o1631–o1632. doi: 10.1107/S160053680902282X
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)] = 0.049 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.141 H atoms treated by a mixture of independent and constrained refinement
S = 0.98 w = 1/[σ2(Fo2) + (0.0781P)2] where P = (Fo2 + 2Fc2)/3
6633 reflections (Δ/σ)max < 0.001
423 parameters Δρmax = 1.55 e Å3
2 restraints Δρmin = −0.66 e Å3