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. 2008 Mar 29;64(Pt 4):o749. doi: 10.1107/S1600536808007678
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.066 H-atom parameters constrained
wR(F2) = 0.231   w = 1/[σ2(Fo2) + (0.127P)2 + 1.9456P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
2770 reflections Δρmax = 0.42 e Å3
209 parameters Δρmin = −0.91 e Å3
12 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods