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. 2015 Jan 1;71(Pt 1):o8–o9. doi: 10.1107/S2056989014025845
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.049 H-atom parameters constrained
wR(F2) = 0.135 w = 1/[σ2(Fo2) + (0.0607P)2 + 0.3362P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
4358 reflections Δρmax = 0.35 e Å3
199 parameters Δρmin = −0.23 e Å3