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. 2018 Oct 19;74(Pt 11):1599–1604. doi: 10.1107/S2056989018014305
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.036 H-atom parameters constrained
wR(F2) = 0.091 w = 1/[σ2(Fo2) + (0.0391P)2 + 0.8462P] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max < 0.001
3496 reflections Δρmax = 0.30 e Å3
264 parameters Δρmin = −0.25 e Å3