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. 2016 Nov 15;72(Pt 12):1809–1811. doi: 10.1107/S2056989016017710
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.048 H-atom parameters constrained
wR(F2) = 0.119 w = 1/[σ2(Fo2) + (0.0529P)2 + 0.089P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
2016 reflections Δρmax = 0.25 e Å3
136 parameters Δρmin = −0.22 e Å3