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. 2018 Oct 19;74(Pt 11):1609–1612. doi: 10.1107/S2056989018014238
Refinement on F2 Hydrogen site location: mixed
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.036 w = 1/[σ2(Fo2) + (0.0603P)2 + 2.7141P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.103 (Δ/σ)max = 0.001
S = 1.05 Δρmax = 0.39 e Å3
5530 reflections Δρmin = −0.35 e Å3
346 parameters Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
26 restraints Extinction coefficient: 0.0011 (2)