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. 2011 Feb 2;67(Pt 3):o541. doi: 10.1107/S1600536811003412
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)] = 0.047 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.142 H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0676P)2 + 0.4844P] where P = (Fo2 + 2Fc2)/3
6941 reflections (Δ/σ)max < 0.001
316 parameters Δρmax = 0.38 e Å3
0 restraints Δρmin = −0.18 e Å3