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. 2010 Jan 23;66(Pt 2):o430. doi: 10.1107/S1600536810002217
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)] = 0.053 Hydrogen site location: difference Fourier map
wR(F2) = 0.173 All H-atom parameters refined
S = 1.04 w = 1/[σ2(Fo2) + (0.080P)2 + 0.9509P] where P = (Fo2 + 2Fc2)/3
2389 reflections (Δ/σ)max < 0.001
155 parameters Δρmax = 0.27 e Å3
0 restraints Δρmin = −0.26 e Å3