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. 2012 Apr 28;68(Pt 5):o1557–o1558. doi: 10.1107/S1600536812018272
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)] = 0.071 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.219 H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.1339P)2 + 1.0689P] where P = (Fo2 + 2Fc2)/3
4889 reflections (Δ/σ)max < 0.001
371 parameters Δρmax = 0.69 e Å3
62 restraints Δρmin = −0.92 e Å3