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. 2023 Mar 15;79(Pt 4):328–330. doi: 10.1107/S2056989023002293
Refinement on F2 0 restraints
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0169P)2 + 1.9053P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.017 (Δ/σ)max < 0.001
wR(F2) = 0.041 Δρmax = 1.25 e Å3
S = 1.16 Δρmin = −0.68 e Å3
569 reflections Extinction correction: SHELXL-2019/2 (Sheldrick 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
18 parameters Extinction coefficient: 0.00158 (6)