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. 2011 Aug 2;67(Pt 9):o2242. doi: 10.1107/S160053681103056X
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: difference Fourier map
wR(F2) = 0.137 H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0651P)2 + 0.2344P] where P = (Fo2 + 2Fc2)/3
3478 reflections (Δ/σ)max < 0.001
183 parameters Δρmax = 0.32 e Å3
0 restraints Δρmin = −0.22 e Å3